USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 689 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 50 TYR OH : rot 180:sc= -0.0278 USER MOD Set 1.2: A 70 TYR OH : rot 27:sc= 1.37 USER MOD Set 2.1: A 32 TYR OH : rot -39:sc= 0.01 USER MOD Set 2.2: A 40 CYS SG : rot 180:sc= -0.216 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -106:sc= -0.149 (180deg=-2.68) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 18 MET CE :methyl -170:sc= -0.142 (180deg=-0.437) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.47 F(o=-3!,f=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.882) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.152 (180deg=-0.659) USER MOD Single : A 59 SER OG : rot 180:sc= -0.231 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.75! C(o=-3.8!,f=-3.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 72 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 78 SER OG : rot -77:sc= 0.179 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 100:sc= -0.903 USER MOD Single : A 89 SER OG : rot 160:sc= -1.23 USER MOD Single : A 90 THR OG1 : rot 53:sc= 1.09 USER MOD Single : A 96 GLN : amide:sc= 0.0972 X(o=0.097,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.347 -11.996 7.402 1.00 0.00 N ATOM 105 CA LEU A 11 -2.980 -10.885 6.700 1.00 0.00 C ATOM 106 C LEU A 11 -4.433 -11.208 6.367 1.00 0.00 C ATOM 107 O LEU A 11 -5.303 -10.340 6.436 1.00 0.00 O ATOM 108 CB LEU A 11 -2.211 -10.561 5.418 1.00 0.00 C ATOM 109 CG LEU A 11 -2.530 -9.216 4.765 1.00 0.00 C ATOM 110 CD1 LEU A 11 -2.020 -8.070 5.625 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.929 -9.145 3.369 1.00 0.00 C ATOM 0 HA LEU A 11 -2.962 -10.015 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.144 -10.590 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.406 -11.350 4.692 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.613 -9.124 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.256 -7.121 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.498 -8.109 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.940 -8.157 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.166 -8.181 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.847 -9.259 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.343 -9.944 2.754 1.00 0.00 H new ATOM 123 N GLU A 12 -4.687 -12.462 6.008 1.00 0.00 N ATOM 124 CA GLU A 12 -6.036 -12.900 5.666 1.00 0.00 C ATOM 125 C GLU A 12 -6.972 -12.764 6.864 1.00 0.00 C ATOM 126 O GLU A 12 -8.171 -12.535 6.707 1.00 0.00 O ATOM 127 CB GLU A 12 -6.018 -14.350 5.180 1.00 0.00 C ATOM 128 CG GLU A 12 -5.819 -14.487 3.680 1.00 0.00 C ATOM 129 CD GLU A 12 -6.740 -13.582 2.885 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.964 -13.832 2.887 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.237 -12.625 2.260 1.00 0.00 O ATOM 0 H GLU A 12 -3.978 -13.192 5.946 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.406 -12.261 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.221 -14.887 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.956 -14.829 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.784 -14.254 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.992 -15.523 3.387 1.00 0.00 H new ATOM 138 N LYS A 13 -6.415 -12.909 8.061 1.00 0.00 N ATOM 139 CA LYS A 13 -7.197 -12.803 9.287 1.00 0.00 C ATOM 140 C LYS A 13 -7.517 -11.346 9.604 1.00 0.00 C ATOM 141 O LYS A 13 -8.684 -10.957 9.674 1.00 0.00 O ATOM 142 CB LYS A 13 -6.440 -13.436 10.457 1.00 0.00 C ATOM 143 CG LYS A 13 -6.717 -14.920 10.629 1.00 0.00 C ATOM 144 CD LYS A 13 -5.718 -15.767 9.859 1.00 0.00 C ATOM 145 CE LYS A 13 -4.517 -16.133 10.718 1.00 0.00 C ATOM 146 NZ LYS A 13 -3.845 -17.370 10.233 1.00 0.00 N ATOM 0 H LYS A 13 -5.424 -13.100 8.209 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.134 -13.339 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.370 -13.289 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.708 -12.916 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.675 -15.179 11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.727 -15.145 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.205 -16.676 9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.383 -15.223 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.804 -15.308 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.838 -16.275 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.032 -17.586 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.517 -18.163 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.516 -17.226 9.257 1.00 0.00 H new ATOM 160 N LEU A 14 -6.476 -10.544 9.794 1.00 0.00 N ATOM 161 CA LEU A 14 -6.646 -9.128 10.102 1.00 0.00 C ATOM 162 C LEU A 14 -7.484 -8.436 9.032 1.00 0.00 C ATOM 163 O LEU A 14 -8.487 -7.791 9.337 1.00 0.00 O ATOM 164 CB LEU A 14 -5.283 -8.444 10.220 1.00 0.00 C ATOM 165 CG LEU A 14 -5.305 -6.963 10.599 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.251 -6.799 12.110 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.150 -6.226 9.939 1.00 0.00 C ATOM 0 H LEU A 14 -5.504 -10.850 9.740 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.169 -9.049 11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.693 -8.980 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.764 -8.547 9.267 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.238 -6.529 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.267 -5.739 12.362 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.112 -7.292 12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.334 -7.248 12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.182 -5.173 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.206 -6.661 10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.233 -6.315 8.856 1.00 0.00 H new ATOM 179 N MET A 15 -7.067 -8.575 7.778 1.00 0.00 N ATOM 180 CA MET A 15 -7.782 -7.965 6.663 1.00 0.00 C ATOM 181 C MET A 15 -9.234 -8.432 6.628 1.00 0.00 C ATOM 182 O MET A 15 -10.129 -7.675 6.255 1.00 0.00 O ATOM 183 CB MET A 15 -7.093 -8.305 5.340 1.00 0.00 C ATOM 184 CG MET A 15 -5.764 -7.593 5.147 1.00 0.00 C ATOM 185 SD MET A 15 -5.943 -5.802 5.045 1.00 0.00 S ATOM 186 CE MET A 15 -4.612 -5.267 6.117 1.00 0.00 C ATOM 0 H MET A 15 -6.238 -9.104 7.508 1.00 0.00 H new ATOM 0 HA MET A 15 -7.769 -6.884 6.804 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.930 -9.382 5.291 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.758 -8.046 4.516 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.100 -7.841 5.975 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.289 -7.959 4.237 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.026 -4.906 7.058 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.943 -6.105 6.313 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.056 -4.464 5.633 1.00 0.00 H new ATOM 196 N GLU A 16 -9.459 -9.683 7.018 1.00 0.00 N ATOM 197 CA GLU A 16 -10.803 -10.249 7.029 1.00 0.00 C ATOM 198 C GLU A 16 -11.698 -9.506 8.016 1.00 0.00 C ATOM 199 O GLU A 16 -12.899 -9.359 7.792 1.00 0.00 O ATOM 200 CB GLU A 16 -10.751 -11.735 7.390 1.00 0.00 C ATOM 201 CG GLU A 16 -12.103 -12.318 7.764 1.00 0.00 C ATOM 202 CD GLU A 16 -11.988 -13.659 8.462 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.361 -14.575 7.890 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.523 -13.792 9.583 1.00 0.00 O ATOM 0 H GLU A 16 -8.729 -10.323 7.330 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.224 -10.139 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.346 -12.292 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.062 -11.874 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.629 -11.618 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.707 -12.432 6.864 1.00 0.00 H new ATOM 211 N ASN A 17 -11.104 -9.039 9.110 1.00 0.00 N ATOM 212 CA ASN A 17 -11.847 -8.311 10.132 1.00 0.00 C ATOM 213 C ASN A 17 -12.093 -6.868 9.703 1.00 0.00 C ATOM 214 O ASN A 17 -13.167 -6.315 9.938 1.00 0.00 O ATOM 215 CB ASN A 17 -11.087 -8.338 11.460 1.00 0.00 C ATOM 216 CG ASN A 17 -10.998 -9.733 12.048 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.973 -10.485 12.041 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.825 -10.085 12.560 1.00 0.00 N ATOM 0 H ASN A 17 -10.110 -9.152 9.311 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.812 -8.801 10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.081 -7.946 11.308 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.582 -7.678 12.172 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.705 -11.011 12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.044 -9.429 12.544 1.00 0.00 H new ATOM 225 N MET A 18 -11.091 -6.266 9.072 1.00 0.00 N ATOM 226 CA MET A 18 -11.199 -4.887 8.608 1.00 0.00 C ATOM 227 C MET A 18 -12.155 -4.786 7.424 1.00 0.00 C ATOM 228 O MET A 18 -13.109 -4.008 7.449 1.00 0.00 O ATOM 229 CB MET A 18 -9.822 -4.350 8.213 1.00 0.00 C ATOM 230 CG MET A 18 -9.870 -2.981 7.554 1.00 0.00 C ATOM 231 SD MET A 18 -8.255 -2.438 6.963 1.00 0.00 S ATOM 232 CE MET A 18 -8.186 -3.253 5.370 1.00 0.00 C ATOM 0 H MET A 18 -10.195 -6.710 8.870 1.00 0.00 H new ATOM 0 HA MET A 18 -11.595 -4.285 9.425 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.194 -4.294 9.102 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.348 -5.056 7.531 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.568 -3.009 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.256 -2.252 8.267 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.181 -3.162 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.435 -4.307 5.490 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.900 -2.786 4.691 1.00 0.00 H new ATOM 242 N ARG A 19 -11.893 -5.576 6.388 1.00 0.00 N ATOM 243 CA ARG A 19 -12.730 -5.574 5.194 1.00 0.00 C ATOM 244 C ARG A 19 -14.210 -5.541 5.567 1.00 0.00 C ATOM 245 O ARG A 19 -15.036 -5.015 4.822 1.00 0.00 O ATOM 246 CB ARG A 19 -12.437 -6.806 4.337 1.00 0.00 C ATOM 247 CG ARG A 19 -11.151 -6.698 3.534 1.00 0.00 C ATOM 248 CD ARG A 19 -10.977 -7.884 2.598 1.00 0.00 C ATOM 249 NE ARG A 19 -9.789 -7.749 1.760 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.154 -8.781 1.214 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.591 -10.016 1.418 1.00 0.00 N ATOM 252 NH2 ARG A 19 -8.079 -8.578 0.463 1.00 0.00 N ATOM 0 H ARG A 19 -11.108 -6.226 6.351 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.497 -4.677 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.379 -7.682 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.270 -6.969 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.159 -5.774 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.300 -6.641 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.906 -8.801 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.859 -7.978 1.964 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.427 -6.812 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.417 -10.176 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.102 -10.806 0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.739 -7.629 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.592 -9.371 0.044 1.00 0.00 H new ATOM 266 N ASN A 20 -14.535 -6.106 6.725 1.00 0.00 N ATOM 267 CA ASN A 20 -15.915 -6.142 7.197 1.00 0.00 C ATOM 268 C ASN A 20 -16.410 -4.740 7.539 1.00 0.00 C ATOM 269 O ASN A 20 -17.241 -4.173 6.828 1.00 0.00 O ATOM 270 CB ASN A 20 -16.033 -7.049 8.423 1.00 0.00 C ATOM 271 CG ASN A 20 -15.956 -8.521 8.063 1.00 0.00 C ATOM 272 OD1 ASN A 20 -15.130 -9.265 8.789 1.00 0.00 O flip ATOM 273 ND2 ASN A 20 -16.632 -8.982 7.143 1.00 0.00 N flip ATOM 0 H ASN A 20 -13.862 -6.545 7.354 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.536 -6.542 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.237 -6.808 9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.978 -6.850 8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.254 -8.372 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.570 -9.974 6.912 1.00 0.00 H new ATOM 280 N ASP A 21 -15.893 -4.186 8.630 1.00 0.00 N ATOM 281 CA ASP A 21 -16.281 -2.849 9.065 1.00 0.00 C ATOM 282 C ASP A 21 -15.945 -1.811 7.999 1.00 0.00 C ATOM 283 O ASP A 21 -16.519 -0.722 7.977 1.00 0.00 O ATOM 284 CB ASP A 21 -15.581 -2.494 10.378 1.00 0.00 C ATOM 285 CG ASP A 21 -16.411 -1.569 11.246 1.00 0.00 C ATOM 286 OD1 ASP A 21 -16.988 -0.605 10.701 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.484 -1.809 12.469 1.00 0.00 O ATOM 0 H ASP A 21 -15.205 -4.642 9.229 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.359 -2.844 9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.365 -3.409 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.624 -2.020 10.159 1.00 0.00 H new ATOM 292 N ILE A 22 -15.012 -2.156 7.118 1.00 0.00 N ATOM 293 CA ILE A 22 -14.601 -1.254 6.049 1.00 0.00 C ATOM 294 C ILE A 22 -15.556 -1.335 4.863 1.00 0.00 C ATOM 295 O ILE A 22 -15.840 -0.330 4.213 1.00 0.00 O ATOM 296 CB ILE A 22 -13.172 -1.569 5.566 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.145 -0.842 6.436 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.009 -1.177 4.105 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.151 0.659 6.252 1.00 0.00 C ATOM 0 H ILE A 22 -14.527 -3.053 7.123 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.623 -0.245 6.461 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.002 -2.642 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.340 -1.072 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.150 -1.224 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.995 -1.405 3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.721 -1.735 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.195 -0.109 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.398 1.108 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.926 0.899 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.134 1.053 6.510 1.00 0.00 H new ATOM 311 N ALA A 23 -16.049 -2.538 4.589 1.00 0.00 N ATOM 312 CA ALA A 23 -16.976 -2.750 3.484 1.00 0.00 C ATOM 313 C ALA A 23 -18.404 -2.400 3.890 1.00 0.00 C ATOM 314 O ALA A 23 -19.264 -2.176 3.039 1.00 0.00 O ATOM 315 CB ALA A 23 -16.901 -4.191 3.001 1.00 0.00 C ATOM 0 H ALA A 23 -15.822 -3.381 5.117 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.686 -2.089 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.598 -4.335 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.888 -4.409 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.163 -4.863 3.818 1.00 0.00 H new ATOM 321 N SER A 24 -18.649 -2.355 5.196 1.00 0.00 N ATOM 322 CA SER A 24 -19.974 -2.036 5.714 1.00 0.00 C ATOM 323 C SER A 24 -20.058 -0.570 6.126 1.00 0.00 C ATOM 324 O SER A 24 -21.101 0.069 5.983 1.00 0.00 O ATOM 325 CB SER A 24 -20.306 -2.933 6.908 1.00 0.00 C ATOM 326 OG SER A 24 -21.707 -3.095 7.050 1.00 0.00 O ATOM 0 H SER A 24 -17.947 -2.535 5.914 1.00 0.00 H new ATOM 0 HA SER A 24 -20.700 -2.214 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.835 -3.907 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.893 -2.499 7.819 1.00 0.00 H new ATOM 0 HG SER A 24 -21.893 -3.673 7.819 1.00 0.00 H new ATOM 332 N HIS A 25 -18.951 -0.041 6.639 1.00 0.00 N ATOM 333 CA HIS A 25 -18.898 1.351 7.072 1.00 0.00 C ATOM 334 C HIS A 25 -17.676 2.055 6.490 1.00 0.00 C ATOM 335 O HIS A 25 -16.870 2.646 7.208 1.00 0.00 O ATOM 336 CB HIS A 25 -18.868 1.431 8.598 1.00 0.00 C ATOM 337 CG HIS A 25 -20.223 1.336 9.230 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.677 2.230 10.177 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.227 0.447 9.043 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.899 1.894 10.547 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.257 0.815 9.873 1.00 0.00 N ATOM 0 H HIS A 25 -18.079 -0.555 6.765 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.793 1.854 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.239 0.628 8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.403 2.371 8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.219 -0.395 8.367 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.503 2.413 11.276 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.153 0.334 9.956 1.00 0.00 H new ATOM 349 N PRO A 26 -17.533 1.989 5.158 1.00 0.00 N ATOM 350 CA PRO A 26 -16.412 2.615 4.450 1.00 0.00 C ATOM 351 C PRO A 26 -16.181 4.057 4.889 1.00 0.00 C ATOM 352 O PRO A 26 -17.109 4.773 5.263 1.00 0.00 O ATOM 353 CB PRO A 26 -16.847 2.566 2.983 1.00 0.00 C ATOM 354 CG PRO A 26 -17.786 1.412 2.905 1.00 0.00 C ATOM 355 CD PRO A 26 -18.456 1.301 4.240 1.00 0.00 C ATOM 0 HA PRO A 26 -15.470 2.104 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.334 3.494 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.992 2.426 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.522 1.566 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.250 0.494 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.439 1.772 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.603 0.260 4.528 1.00 0.00 H new ATOM 363 N PRO A 27 -14.914 4.494 4.844 1.00 0.00 N ATOM 364 CA PRO A 27 -14.532 5.855 5.233 1.00 0.00 C ATOM 365 C PRO A 27 -15.032 6.902 4.244 1.00 0.00 C ATOM 366 O PRO A 27 -15.410 6.578 3.118 1.00 0.00 O ATOM 367 CB PRO A 27 -13.002 5.807 5.232 1.00 0.00 C ATOM 368 CG PRO A 27 -12.657 4.712 4.283 1.00 0.00 C ATOM 369 CD PRO A 27 -13.757 3.694 4.408 1.00 0.00 C ATOM 0 HA PRO A 27 -14.963 6.141 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.577 6.758 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.612 5.604 6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.587 5.088 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.690 4.273 4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.950 3.192 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.507 2.920 5.133 1.00 0.00 H new ATOM 377 N VAL A 28 -15.032 8.161 4.672 1.00 0.00 N ATOM 378 CA VAL A 28 -15.485 9.257 3.824 1.00 0.00 C ATOM 379 C VAL A 28 -14.373 9.726 2.892 1.00 0.00 C ATOM 380 O VAL A 28 -13.288 10.093 3.340 1.00 0.00 O ATOM 381 CB VAL A 28 -15.973 10.452 4.664 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.428 11.589 3.761 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.093 10.022 5.600 1.00 0.00 C ATOM 0 H VAL A 28 -14.723 8.447 5.601 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.316 8.876 3.231 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.142 10.812 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.769 12.425 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.596 11.913 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.245 11.245 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.426 10.878 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.928 9.636 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.728 9.243 6.270 1.00 0.00 H new ATOM 393 N GLU A 29 -14.653 9.710 1.592 1.00 0.00 N ATOM 394 CA GLU A 29 -13.675 10.134 0.596 1.00 0.00 C ATOM 395 C GLU A 29 -13.346 11.616 0.753 1.00 0.00 C ATOM 396 O GLU A 29 -14.235 12.466 0.725 1.00 0.00 O ATOM 397 CB GLU A 29 -14.201 9.863 -0.815 1.00 0.00 C ATOM 398 CG GLU A 29 -15.149 10.935 -1.327 1.00 0.00 C ATOM 399 CD GLU A 29 -15.930 10.488 -2.547 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.245 9.283 -2.640 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.227 11.342 -3.408 1.00 0.00 O ATOM 0 H GLU A 29 -15.547 9.409 1.205 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.762 9.559 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.356 9.780 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.714 8.901 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.845 11.208 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.579 11.831 -1.573 1.00 0.00 H new ATOM 408 N GLY A 30 -12.062 11.917 0.918 1.00 0.00 N ATOM 409 CA GLY A 30 -11.638 13.296 1.077 1.00 0.00 C ATOM 410 C GLY A 30 -11.798 13.791 2.501 1.00 0.00 C ATOM 411 O GLY A 30 -11.865 14.996 2.742 1.00 0.00 O ATOM 0 H GLY A 30 -11.308 11.231 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.594 13.389 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.218 13.931 0.407 1.00 0.00 H new ATOM 415 N SER A 31 -11.863 12.859 3.446 1.00 0.00 N ATOM 416 CA SER A 31 -12.023 13.207 4.853 1.00 0.00 C ATOM 417 C SER A 31 -10.693 13.101 5.593 1.00 0.00 C ATOM 418 O SER A 31 -10.347 13.966 6.398 1.00 0.00 O ATOM 419 CB SER A 31 -13.060 12.296 5.511 1.00 0.00 C ATOM 420 OG SER A 31 -13.055 12.451 6.920 1.00 0.00 O ATOM 0 H SER A 31 -11.807 11.857 3.263 1.00 0.00 H new ATOM 0 HA SER A 31 -12.369 14.239 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.051 12.526 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.850 11.257 5.256 1.00 0.00 H new ATOM 0 HG SER A 31 -13.728 11.859 7.317 1.00 0.00 H new ATOM 426 N TYR A 32 -9.952 12.034 5.315 1.00 0.00 N ATOM 427 CA TYR A 32 -8.661 11.812 5.956 1.00 0.00 C ATOM 428 C TYR A 32 -7.542 12.495 5.176 1.00 0.00 C ATOM 429 O TYR A 32 -7.409 12.308 3.967 1.00 0.00 O ATOM 430 CB TYR A 32 -8.377 10.314 6.072 1.00 0.00 C ATOM 431 CG TYR A 32 -6.912 9.988 6.256 1.00 0.00 C ATOM 432 CD1 TYR A 32 -6.034 10.010 5.180 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.406 9.658 7.508 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.695 9.712 5.344 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.068 9.360 7.681 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.217 9.388 6.596 1.00 0.00 C ATOM 437 OH TYR A 32 -2.884 9.092 6.764 1.00 0.00 O ATOM 0 H TYR A 32 -10.223 11.309 4.650 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.700 12.246 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.939 9.910 6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.742 9.813 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.405 10.265 4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.070 9.634 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.026 9.733 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.691 9.106 8.661 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.567 8.566 6.000 1.00 0.00 H new ATOM 447 N ALA A 33 -6.738 13.286 5.878 1.00 0.00 N ATOM 448 CA ALA A 33 -5.628 13.995 5.254 1.00 0.00 C ATOM 449 C ALA A 33 -4.330 13.205 5.383 1.00 0.00 C ATOM 450 O ALA A 33 -3.782 13.039 6.473 1.00 0.00 O ATOM 451 CB ALA A 33 -5.470 15.377 5.872 1.00 0.00 C ATOM 0 H ALA A 33 -6.835 13.452 6.880 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.851 14.107 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.637 15.895 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.386 15.949 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.273 15.278 6.940 1.00 0.00 H new ATOM 457 N PRO A 34 -3.825 12.705 4.246 1.00 0.00 N ATOM 458 CA PRO A 34 -2.586 11.923 4.206 1.00 0.00 C ATOM 459 C PRO A 34 -1.354 12.775 4.493 1.00 0.00 C ATOM 460 O PRO A 34 -1.135 13.802 3.851 1.00 0.00 O ATOM 461 CB PRO A 34 -2.546 11.393 2.771 1.00 0.00 C ATOM 462 CG PRO A 34 -3.349 12.370 1.984 1.00 0.00 C ATOM 463 CD PRO A 34 -4.425 12.864 2.911 1.00 0.00 C ATOM 0 HA PRO A 34 -2.574 11.140 4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.523 11.332 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.969 10.390 2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.727 13.194 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.781 11.899 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.684 13.903 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.341 12.282 2.810 1.00 0.00 H new ATOM 471 N ARG A 35 -0.553 12.342 5.461 1.00 0.00 N ATOM 472 CA ARG A 35 0.657 13.066 5.833 1.00 0.00 C ATOM 473 C ARG A 35 1.901 12.229 5.546 1.00 0.00 C ATOM 474 O ARG A 35 1.893 11.010 5.714 1.00 0.00 O ATOM 475 CB ARG A 35 0.615 13.445 7.314 1.00 0.00 C ATOM 476 CG ARG A 35 -0.622 14.238 7.705 1.00 0.00 C ATOM 477 CD ARG A 35 -0.630 15.614 7.058 1.00 0.00 C ATOM 478 NE ARG A 35 0.100 16.597 7.854 1.00 0.00 N ATOM 479 CZ ARG A 35 1.404 16.817 7.735 1.00 0.00 C ATOM 480 NH1 ARG A 35 2.119 16.128 6.857 1.00 0.00 N ATOM 481 NH2 ARG A 35 1.996 17.729 8.496 1.00 0.00 N ATOM 0 H ARG A 35 -0.720 11.494 6.002 1.00 0.00 H new ATOM 0 HA ARG A 35 0.705 13.975 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.658 12.536 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.503 14.030 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.516 13.690 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.659 14.344 8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.186 15.550 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.660 15.947 6.926 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.421 17.145 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.668 15.426 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.121 16.300 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.449 18.261 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.998 17.898 8.404 1.00 0.00 H new ATOM 495 N ARG A 36 2.967 12.893 5.113 1.00 0.00 N ATOM 496 CA ARG A 36 4.218 12.212 4.802 1.00 0.00 C ATOM 497 C ARG A 36 4.753 11.472 6.025 1.00 0.00 C ATOM 498 O ARG A 36 5.241 12.089 6.971 1.00 0.00 O ATOM 499 CB ARG A 36 5.259 13.214 4.302 1.00 0.00 C ATOM 500 CG ARG A 36 6.668 12.646 4.234 1.00 0.00 C ATOM 501 CD ARG A 36 7.497 13.339 3.164 1.00 0.00 C ATOM 502 NE ARG A 36 8.197 14.510 3.687 1.00 0.00 N ATOM 503 CZ ARG A 36 8.973 15.293 2.947 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.148 15.032 1.658 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.576 16.340 3.495 1.00 0.00 N ATOM 0 H ARG A 36 2.990 13.903 4.969 1.00 0.00 H new ATOM 0 HA ARG A 36 4.020 11.483 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.969 13.563 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.258 14.084 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.154 12.759 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.621 11.577 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.222 12.636 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.848 13.642 2.342 1.00 0.00 H new ATOM 0 HE ARG A 36 8.083 14.738 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.686 14.228 1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.745 15.635 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.444 16.544 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.172 16.941 2.926 1.00 0.00 H new ATOM 519 N GLY A 37 4.657 10.146 5.998 1.00 0.00 N ATOM 520 CA GLY A 37 5.134 9.345 7.109 1.00 0.00 C ATOM 521 C GLY A 37 4.012 8.892 8.022 1.00 0.00 C ATOM 522 O GLY A 37 4.247 8.539 9.177 1.00 0.00 O ATOM 0 H GLY A 37 4.257 9.613 5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.660 8.471 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.856 9.923 7.686 1.00 0.00 H new ATOM 526 N GLU A 38 2.788 8.903 7.502 1.00 0.00 N ATOM 527 CA GLU A 38 1.625 8.492 8.280 1.00 0.00 C ATOM 528 C GLU A 38 0.975 7.252 7.673 1.00 0.00 C ATOM 529 O GLU A 38 0.955 7.082 6.454 1.00 0.00 O ATOM 530 CB GLU A 38 0.606 9.630 8.356 1.00 0.00 C ATOM 531 CG GLU A 38 0.822 10.564 9.535 1.00 0.00 C ATOM 532 CD GLU A 38 0.610 9.876 10.870 1.00 0.00 C ATOM 533 OE1 GLU A 38 1.541 9.185 11.335 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.485 10.028 11.449 1.00 0.00 O ATOM 0 H GLU A 38 2.577 9.192 6.547 1.00 0.00 H new ATOM 0 HA GLU A 38 1.962 8.248 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.650 10.208 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.396 9.205 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.834 10.966 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.139 11.410 9.454 1.00 0.00 H new ATOM 541 N PHE A 39 0.445 6.388 8.533 1.00 0.00 N ATOM 542 CA PHE A 39 -0.205 5.162 8.082 1.00 0.00 C ATOM 543 C PHE A 39 -1.688 5.400 7.813 1.00 0.00 C ATOM 544 O PHE A 39 -2.308 6.272 8.423 1.00 0.00 O ATOM 545 CB PHE A 39 -0.035 4.057 9.126 1.00 0.00 C ATOM 546 CG PHE A 39 1.370 3.537 9.226 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.859 2.641 8.289 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.202 3.944 10.256 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.152 2.160 8.379 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.496 3.467 10.351 1.00 0.00 C ATOM 551 CZ PHE A 39 3.972 2.575 9.410 1.00 0.00 C ATOM 0 H PHE A 39 0.453 6.514 9.545 1.00 0.00 H new ATOM 0 HA PHE A 39 0.269 4.849 7.152 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.343 4.438 10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.703 3.231 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.223 2.315 7.479 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.835 4.642 10.994 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.521 1.460 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.134 3.791 11.160 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.983 2.203 9.480 1.00 0.00 H new ATOM 561 N CYS A 40 -2.249 4.620 6.896 1.00 0.00 N ATOM 562 CA CYS A 40 -3.659 4.746 6.544 1.00 0.00 C ATOM 563 C CYS A 40 -4.084 3.631 5.595 1.00 0.00 C ATOM 564 O CYS A 40 -3.255 2.849 5.130 1.00 0.00 O ATOM 565 CB CYS A 40 -3.926 6.109 5.902 1.00 0.00 C ATOM 566 SG CYS A 40 -2.866 6.478 4.485 1.00 0.00 S ATOM 0 H CYS A 40 -1.749 3.894 6.383 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.246 4.662 7.459 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.968 6.151 5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.791 6.886 6.655 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.168 7.650 4.010 1.00 0.00 H new ATOM 572 N ILE A 41 -5.381 3.564 5.312 1.00 0.00 N ATOM 573 CA ILE A 41 -5.915 2.544 4.419 1.00 0.00 C ATOM 574 C ILE A 41 -6.150 3.106 3.021 1.00 0.00 C ATOM 575 O ILE A 41 -6.738 4.175 2.861 1.00 0.00 O ATOM 576 CB ILE A 41 -7.238 1.963 4.955 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.282 3.071 5.105 1.00 0.00 C ATOM 578 CG2 ILE A 41 -7.007 1.260 6.284 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.638 2.567 5.548 1.00 0.00 C ATOM 0 H ILE A 41 -6.081 4.204 5.688 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.172 1.748 4.368 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.614 1.231 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.922 3.803 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.389 3.589 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.950 0.855 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.292 0.448 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.612 1.972 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.328 3.406 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.020 1.857 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.545 2.074 6.516 1.00 0.00 H new ATOM 591 N ALA A 42 -5.687 2.376 2.011 1.00 0.00 N ATOM 592 CA ALA A 42 -5.849 2.800 0.626 1.00 0.00 C ATOM 593 C ALA A 42 -6.795 1.869 -0.126 1.00 0.00 C ATOM 594 O ALA A 42 -6.805 0.660 0.103 1.00 0.00 O ATOM 595 CB ALA A 42 -4.497 2.856 -0.071 1.00 0.00 C ATOM 0 H ALA A 42 -5.197 1.489 2.126 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.287 3.798 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.633 3.174 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.851 3.566 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.037 1.868 -0.053 1.00 0.00 H new ATOM 601 N LYS A 43 -7.590 2.441 -1.023 1.00 0.00 N ATOM 602 CA LYS A 43 -8.541 1.663 -1.810 1.00 0.00 C ATOM 603 C LYS A 43 -7.907 1.186 -3.112 1.00 0.00 C ATOM 604 O LYS A 43 -7.494 1.992 -3.946 1.00 0.00 O ATOM 605 CB LYS A 43 -9.787 2.498 -2.113 1.00 0.00 C ATOM 606 CG LYS A 43 -11.053 1.671 -2.255 1.00 0.00 C ATOM 607 CD LYS A 43 -12.299 2.535 -2.145 1.00 0.00 C ATOM 608 CE LYS A 43 -13.518 1.709 -1.764 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.231 1.189 -2.963 1.00 0.00 N ATOM 0 H LYS A 43 -7.595 3.441 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.830 0.789 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.927 3.228 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.624 3.058 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.048 1.159 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.074 0.901 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.138 3.314 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.481 3.036 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.209 0.874 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.200 2.319 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.211 1.536 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.749 1.518 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.232 0.149 -2.943 1.00 0.00 H new ATOM 623 N PHE A 44 -7.834 -0.130 -3.282 1.00 0.00 N ATOM 624 CA PHE A 44 -7.251 -0.715 -4.484 1.00 0.00 C ATOM 625 C PHE A 44 -8.258 -0.720 -5.630 1.00 0.00 C ATOM 626 O PHE A 44 -9.469 -0.732 -5.408 1.00 0.00 O ATOM 627 CB PHE A 44 -6.774 -2.142 -4.203 1.00 0.00 C ATOM 628 CG PHE A 44 -5.837 -2.677 -5.247 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.644 -2.029 -5.523 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.148 -3.829 -5.951 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.779 -2.519 -6.484 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.287 -4.324 -6.913 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.101 -3.669 -7.179 1.00 0.00 C ATOM 0 H PHE A 44 -8.171 -0.812 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.397 -0.105 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.277 -2.166 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.641 -2.799 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.387 -1.131 -4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.074 -4.346 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.853 -2.004 -6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.542 -5.222 -7.456 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.426 -4.055 -7.929 1.00 0.00 H new ATOM 643 N VAL A 45 -7.748 -0.709 -6.858 1.00 0.00 N ATOM 644 CA VAL A 45 -8.601 -0.713 -8.040 1.00 0.00 C ATOM 645 C VAL A 45 -9.735 -1.721 -7.896 1.00 0.00 C ATOM 646 O VAL A 45 -10.768 -1.608 -8.556 1.00 0.00 O ATOM 647 CB VAL A 45 -7.797 -1.039 -9.312 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.615 -0.091 -9.454 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.330 -2.487 -9.290 1.00 0.00 C ATOM 0 H VAL A 45 -6.748 -0.697 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.019 0.289 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.447 -0.904 -10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.058 -0.336 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.977 0.935 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.962 -0.192 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.763 -2.700 -10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.696 -2.652 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.195 -3.148 -9.239 1.00 0.00 H new ATOM 659 N ASP A 46 -9.535 -2.708 -7.030 1.00 0.00 N ATOM 660 CA ASP A 46 -10.542 -3.738 -6.798 1.00 0.00 C ATOM 661 C ASP A 46 -11.445 -3.361 -5.628 1.00 0.00 C ATOM 662 O ASP A 46 -12.030 -4.226 -4.978 1.00 0.00 O ATOM 663 CB ASP A 46 -9.871 -5.085 -6.527 1.00 0.00 C ATOM 664 CG ASP A 46 -9.437 -5.783 -7.801 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.088 -5.569 -8.845 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.447 -6.543 -7.754 1.00 0.00 O ATOM 0 H ASP A 46 -8.685 -2.817 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.155 -3.820 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.003 -4.933 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.561 -5.728 -5.981 1.00 0.00 H new ATOM 671 N GLY A 47 -11.552 -2.062 -5.364 1.00 0.00 N ATOM 672 CA GLY A 47 -12.385 -1.593 -4.271 1.00 0.00 C ATOM 673 C GLY A 47 -12.032 -2.249 -2.951 1.00 0.00 C ATOM 674 O GLY A 47 -12.820 -2.221 -2.007 1.00 0.00 O ATOM 0 H GLY A 47 -11.077 -1.326 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.280 -0.512 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.431 -1.792 -4.504 1.00 0.00 H new ATOM 678 N GLU A 48 -10.843 -2.841 -2.885 1.00 0.00 N ATOM 679 CA GLU A 48 -10.390 -3.509 -1.671 1.00 0.00 C ATOM 680 C GLU A 48 -9.441 -2.613 -0.879 1.00 0.00 C ATOM 681 O GLU A 48 -8.429 -2.147 -1.403 1.00 0.00 O ATOM 682 CB GLU A 48 -9.694 -4.827 -2.016 1.00 0.00 C ATOM 683 CG GLU A 48 -10.649 -5.916 -2.478 1.00 0.00 C ATOM 684 CD GLU A 48 -11.197 -6.737 -1.327 1.00 0.00 C ATOM 685 OE1 GLU A 48 -10.493 -7.660 -0.867 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.331 -6.455 -0.885 1.00 0.00 O ATOM 0 H GLU A 48 -10.177 -2.871 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.264 -3.719 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.957 -4.645 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.149 -5.181 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.477 -5.461 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.133 -6.575 -3.176 1.00 0.00 H new ATOM 693 N TRP A 49 -9.776 -2.376 0.383 1.00 0.00 N ATOM 694 CA TRP A 49 -8.955 -1.536 1.248 1.00 0.00 C ATOM 695 C TRP A 49 -7.734 -2.299 1.748 1.00 0.00 C ATOM 696 O TRP A 49 -7.821 -3.483 2.073 1.00 0.00 O ATOM 697 CB TRP A 49 -9.778 -1.031 2.434 1.00 0.00 C ATOM 698 CG TRP A 49 -10.799 -0.001 2.054 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.097 -0.227 1.695 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.605 1.416 1.994 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.721 0.964 1.416 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.828 1.987 1.592 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.517 2.258 2.242 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.991 3.361 1.432 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.681 3.621 2.083 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.910 4.162 1.682 1.00 0.00 C ATOM 0 H TRP A 49 -10.611 -2.754 0.831 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.612 -0.682 0.664 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.282 -1.876 2.903 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.105 -0.607 3.180 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.564 -1.199 1.639 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.693 1.070 1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.566 1.851 2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.937 3.779 1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.847 4.281 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.006 5.232 1.568 1.00 0.00 H new ATOM 717 N TYR A 50 -6.597 -1.614 1.807 1.00 0.00 N ATOM 718 CA TYR A 50 -5.358 -2.229 2.266 1.00 0.00 C ATOM 719 C TYR A 50 -4.519 -1.234 3.063 1.00 0.00 C ATOM 720 O TYR A 50 -4.660 -0.021 2.908 1.00 0.00 O ATOM 721 CB TYR A 50 -4.553 -2.753 1.076 1.00 0.00 C ATOM 722 CG TYR A 50 -5.221 -3.899 0.351 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.297 -5.161 0.926 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.777 -3.719 -0.910 1.00 0.00 C ATOM 725 CE1 TYR A 50 -5.906 -6.211 0.267 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.389 -4.763 -1.576 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.451 -6.007 -0.984 1.00 0.00 C ATOM 728 OH TYR A 50 -7.059 -7.050 -1.643 1.00 0.00 O ATOM 0 H TYR A 50 -6.508 -0.633 1.543 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.616 -3.064 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.387 -1.937 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.573 -3.077 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.872 -5.324 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.730 -2.746 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.955 -7.186 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.817 -4.606 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.391 -6.739 -2.511 1.00 0.00 H new ATOM 738 N ARG A 51 -3.645 -1.758 3.917 1.00 0.00 N ATOM 739 CA ARG A 51 -2.783 -0.918 4.739 1.00 0.00 C ATOM 740 C ARG A 51 -1.626 -0.357 3.918 1.00 0.00 C ATOM 741 O ARG A 51 -0.953 -1.090 3.194 1.00 0.00 O ATOM 742 CB ARG A 51 -2.240 -1.715 5.926 1.00 0.00 C ATOM 743 CG ARG A 51 -3.167 -1.722 7.131 1.00 0.00 C ATOM 744 CD ARG A 51 -2.397 -1.933 8.425 1.00 0.00 C ATOM 745 NE ARG A 51 -2.279 -3.348 8.767 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.319 -4.139 8.300 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.400 -3.656 7.476 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.279 -5.416 8.658 1.00 0.00 N ATOM 0 H ARG A 51 -3.516 -2.760 4.057 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.379 -0.085 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.060 -2.743 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.277 -1.299 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.710 -0.778 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.910 -2.511 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.402 -1.499 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.899 -1.405 9.236 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.971 -3.751 9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.429 -2.675 7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.336 -4.266 7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.985 -5.790 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.542 -6.023 8.300 1.00 0.00 H new ATOM 762 N ALA A 52 -1.402 0.948 4.035 1.00 0.00 N ATOM 763 CA ALA A 52 -0.326 1.607 3.304 1.00 0.00 C ATOM 764 C ALA A 52 0.200 2.815 4.073 1.00 0.00 C ATOM 765 O ALA A 52 -0.568 3.551 4.692 1.00 0.00 O ATOM 766 CB ALA A 52 -0.806 2.026 1.923 1.00 0.00 C ATOM 0 H ALA A 52 -1.951 1.570 4.629 1.00 0.00 H new ATOM 0 HA ALA A 52 0.493 0.896 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.007 2.517 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.127 1.145 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.643 2.717 2.023 1.00 0.00 H new ATOM 772 N ARG A 53 1.513 3.012 4.029 1.00 0.00 N ATOM 773 CA ARG A 53 2.142 4.129 4.723 1.00 0.00 C ATOM 774 C ARG A 53 2.501 5.244 3.745 1.00 0.00 C ATOM 775 O ARG A 53 3.231 5.024 2.778 1.00 0.00 O ATOM 776 CB ARG A 53 3.397 3.659 5.460 1.00 0.00 C ATOM 777 CG ARG A 53 4.050 4.742 6.303 1.00 0.00 C ATOM 778 CD ARG A 53 5.246 4.203 7.072 1.00 0.00 C ATOM 779 NE ARG A 53 5.567 5.029 8.233 1.00 0.00 N ATOM 780 CZ ARG A 53 6.366 4.634 9.218 1.00 0.00 C ATOM 781 NH1 ARG A 53 6.924 3.432 9.182 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.610 5.443 10.241 1.00 0.00 N ATOM 0 H ARG A 53 2.162 2.412 3.520 1.00 0.00 H new ATOM 0 HA ARG A 53 1.429 4.521 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.137 2.818 6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.120 3.292 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.369 5.562 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.320 5.150 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.038 3.184 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.111 4.156 6.410 1.00 0.00 H new ATOM 0 HE ARG A 53 5.155 5.960 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.740 2.808 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.537 3.131 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.184 6.369 10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.224 5.139 10.997 1.00 0.00 H new ATOM 796 N VAL A 54 1.983 6.440 4.003 1.00 0.00 N ATOM 797 CA VAL A 54 2.249 7.590 3.146 1.00 0.00 C ATOM 798 C VAL A 54 3.747 7.790 2.945 1.00 0.00 C ATOM 799 O VAL A 54 4.487 8.015 3.902 1.00 0.00 O ATOM 800 CB VAL A 54 1.644 8.879 3.732 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.872 10.052 2.790 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.161 8.691 4.014 1.00 0.00 C ATOM 0 H VAL A 54 1.376 6.639 4.799 1.00 0.00 H new ATOM 0 HA VAL A 54 1.780 7.383 2.184 1.00 0.00 H new ATOM 0 HB VAL A 54 2.144 9.099 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.438 10.954 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.942 10.199 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.400 9.845 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.250 9.612 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.357 8.446 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.027 7.880 4.730 1.00 0.00 H new ATOM 812 N GLU A 55 4.188 7.707 1.693 1.00 0.00 N ATOM 813 CA GLU A 55 5.598 7.879 1.367 1.00 0.00 C ATOM 814 C GLU A 55 5.890 9.319 0.955 1.00 0.00 C ATOM 815 O GLU A 55 6.858 9.925 1.414 1.00 0.00 O ATOM 816 CB GLU A 55 6.006 6.922 0.244 1.00 0.00 C ATOM 817 CG GLU A 55 5.836 5.456 0.603 1.00 0.00 C ATOM 818 CD GLU A 55 6.591 4.535 -0.336 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.241 4.491 -1.534 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.532 3.858 0.128 1.00 0.00 O ATOM 0 H GLU A 55 3.589 7.522 0.889 1.00 0.00 H new ATOM 0 HA GLU A 55 6.181 7.650 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.412 7.142 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.048 7.105 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.183 5.293 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.776 5.201 0.582 1.00 0.00 H new ATOM 827 N LYS A 56 5.045 9.861 0.084 1.00 0.00 N ATOM 828 CA LYS A 56 5.210 11.229 -0.392 1.00 0.00 C ATOM 829 C LYS A 56 3.872 11.817 -0.830 1.00 0.00 C ATOM 830 O LYS A 56 3.277 11.368 -1.810 1.00 0.00 O ATOM 831 CB LYS A 56 6.203 11.271 -1.555 1.00 0.00 C ATOM 832 CG LYS A 56 5.919 12.374 -2.559 1.00 0.00 C ATOM 833 CD LYS A 56 7.087 12.578 -3.509 1.00 0.00 C ATOM 834 CE LYS A 56 7.066 13.968 -4.127 1.00 0.00 C ATOM 835 NZ LYS A 56 7.251 15.033 -3.103 1.00 0.00 N ATOM 0 H LYS A 56 4.239 9.373 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 56 5.599 11.829 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.209 11.404 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.187 10.310 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.024 12.126 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.712 13.304 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.024 12.431 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.051 11.827 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.854 14.044 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.119 14.122 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.631 15.888 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.335 15.253 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.916 14.703 -2.375 1.00 0.00 H new ATOM 849 N VAL A 57 3.406 12.825 -0.100 1.00 0.00 N ATOM 850 CA VAL A 57 2.140 13.476 -0.416 1.00 0.00 C ATOM 851 C VAL A 57 2.352 14.670 -1.341 1.00 0.00 C ATOM 852 O VAL A 57 2.876 15.703 -0.926 1.00 0.00 O ATOM 853 CB VAL A 57 1.420 13.951 0.860 1.00 0.00 C ATOM 854 CG1 VAL A 57 -0.003 14.385 0.540 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.427 12.855 1.914 1.00 0.00 C ATOM 0 H VAL A 57 3.886 13.209 0.714 1.00 0.00 H new ATOM 0 HA VAL A 57 1.520 12.735 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 57 1.956 14.812 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.496 14.717 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.019 15.204 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.553 13.545 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.914 13.208 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.916 11.974 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.456 12.597 2.164 1.00 0.00 H new ATOM 865 N GLU A 58 1.940 14.519 -2.596 1.00 0.00 N ATOM 866 CA GLU A 58 2.085 15.586 -3.580 1.00 0.00 C ATOM 867 C GLU A 58 0.918 16.566 -3.496 1.00 0.00 C ATOM 868 O GLU A 58 1.104 17.744 -3.193 1.00 0.00 O ATOM 869 CB GLU A 58 2.173 15.000 -4.991 1.00 0.00 C ATOM 870 CG GLU A 58 3.584 14.618 -5.404 1.00 0.00 C ATOM 871 CD GLU A 58 4.344 15.775 -6.024 1.00 0.00 C ATOM 872 OE1 GLU A 58 3.689 16.712 -6.527 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.592 15.743 -6.006 1.00 0.00 O ATOM 0 H GLU A 58 1.504 13.670 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 58 3.006 16.125 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.535 14.118 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.779 15.726 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.129 14.256 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.540 13.794 -6.116 1.00 0.00 H new ATOM 880 N SER A 59 -0.285 16.069 -3.768 1.00 0.00 N ATOM 881 CA SER A 59 -1.482 16.901 -3.728 1.00 0.00 C ATOM 882 C SER A 59 -2.706 16.072 -3.350 1.00 0.00 C ATOM 883 O SER A 59 -2.680 14.842 -3.353 1.00 0.00 O ATOM 884 CB SER A 59 -1.706 17.574 -5.083 1.00 0.00 C ATOM 885 OG SER A 59 -1.058 16.860 -6.121 1.00 0.00 O ATOM 0 H SER A 59 -0.456 15.095 -4.018 1.00 0.00 H new ATOM 0 HA SER A 59 -1.336 17.669 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.774 17.634 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.330 18.597 -5.051 1.00 0.00 H new ATOM 0 HG SER A 59 -1.218 17.310 -6.977 1.00 0.00 H new ATOM 891 N PRO A 60 -3.807 16.763 -3.016 1.00 0.00 N ATOM 892 CA PRO A 60 -5.063 16.113 -2.630 1.00 0.00 C ATOM 893 C PRO A 60 -5.464 15.006 -3.598 1.00 0.00 C ATOM 894 O PRO A 60 -6.298 14.160 -3.278 1.00 0.00 O ATOM 895 CB PRO A 60 -6.081 17.255 -2.672 1.00 0.00 C ATOM 896 CG PRO A 60 -5.277 18.487 -2.436 1.00 0.00 C ATOM 897 CD PRO A 60 -3.910 18.232 -2.991 1.00 0.00 C ATOM 0 HA PRO A 60 -4.988 15.626 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.593 17.294 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.848 17.130 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.737 19.347 -2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.224 18.715 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.798 18.658 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.136 18.676 -2.366 1.00 0.00 H new ATOM 905 N ALA A 61 -4.864 15.017 -4.784 1.00 0.00 N ATOM 906 CA ALA A 61 -5.158 14.012 -5.799 1.00 0.00 C ATOM 907 C ALA A 61 -3.975 13.070 -5.997 1.00 0.00 C ATOM 908 O ALA A 61 -4.135 11.950 -6.482 1.00 0.00 O ATOM 909 CB ALA A 61 -5.528 14.682 -7.114 1.00 0.00 C ATOM 0 H ALA A 61 -4.171 15.711 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.006 13.421 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.745 13.920 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.408 15.308 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.696 15.299 -7.455 1.00 0.00 H new ATOM 915 N LYS A 62 -2.788 13.532 -5.619 1.00 0.00 N ATOM 916 CA LYS A 62 -1.577 12.731 -5.754 1.00 0.00 C ATOM 917 C LYS A 62 -0.967 12.432 -4.388 1.00 0.00 C ATOM 918 O LYS A 62 -0.402 13.316 -3.744 1.00 0.00 O ATOM 919 CB LYS A 62 -0.556 13.457 -6.633 1.00 0.00 C ATOM 920 CG LYS A 62 -0.820 13.310 -8.121 1.00 0.00 C ATOM 921 CD LYS A 62 0.450 13.491 -8.934 1.00 0.00 C ATOM 922 CE LYS A 62 1.151 12.163 -9.177 1.00 0.00 C ATOM 923 NZ LYS A 62 0.655 11.492 -10.410 1.00 0.00 N ATOM 0 H LYS A 62 -2.639 14.457 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.847 11.786 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.556 14.516 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.440 13.074 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.243 12.326 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.561 14.045 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.208 13.956 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.124 14.169 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.225 12.329 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.996 11.508 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.157 10.591 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.365 11.310 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.826 12.106 -11.232 1.00 0.00 H new ATOM 937 N ILE A 63 -1.084 11.182 -3.954 1.00 0.00 N ATOM 938 CA ILE A 63 -0.542 10.767 -2.666 1.00 0.00 C ATOM 939 C ILE A 63 0.271 9.483 -2.800 1.00 0.00 C ATOM 940 O ILE A 63 -0.288 8.392 -2.923 1.00 0.00 O ATOM 941 CB ILE A 63 -1.659 10.549 -1.629 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.742 11.619 -1.781 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.084 10.566 -0.220 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.319 12.982 -1.280 1.00 0.00 C ATOM 0 H ILE A 63 -1.549 10.439 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 63 0.108 11.572 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.112 9.573 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.019 11.697 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.633 11.302 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.886 10.411 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.345 9.771 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.609 11.529 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.136 13.690 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.070 12.919 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.446 13.320 -1.839 1.00 0.00 H new ATOM 956 N HIS A 64 1.593 9.620 -2.772 1.00 0.00 N ATOM 957 CA HIS A 64 2.483 8.471 -2.888 1.00 0.00 C ATOM 958 C HIS A 64 2.442 7.623 -1.620 1.00 0.00 C ATOM 959 O HIS A 64 2.762 8.099 -0.531 1.00 0.00 O ATOM 960 CB HIS A 64 3.914 8.933 -3.160 1.00 0.00 C ATOM 961 CG HIS A 64 4.041 9.811 -4.367 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.835 9.494 -5.448 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.467 11.002 -4.659 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.746 10.452 -6.353 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.921 11.379 -5.899 1.00 0.00 N ATOM 0 H HIS A 64 2.071 10.515 -2.670 1.00 0.00 H new ATOM 0 HA HIS A 64 2.142 7.861 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.285 9.472 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.551 8.058 -3.289 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.403 8.651 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.780 11.553 -4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.260 10.474 -7.303 1.00 0.00 H new ATOM 973 N VAL A 65 2.045 6.363 -1.769 1.00 0.00 N ATOM 974 CA VAL A 65 1.962 5.448 -0.637 1.00 0.00 C ATOM 975 C VAL A 65 2.578 4.095 -0.977 1.00 0.00 C ATOM 976 O VAL A 65 2.933 3.834 -2.126 1.00 0.00 O ATOM 977 CB VAL A 65 0.503 5.238 -0.190 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.012 6.435 0.610 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.391 4.988 -1.394 1.00 0.00 C ATOM 0 H VAL A 65 1.776 5.953 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 65 2.522 5.904 0.180 1.00 0.00 H new ATOM 0 HB VAL A 65 0.461 4.360 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.020 6.269 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.637 6.563 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.067 7.332 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.418 4.842 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.346 5.846 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.050 4.097 -1.921 1.00 0.00 H new ATOM 989 N PHE A 66 2.702 3.238 0.031 1.00 0.00 N ATOM 990 CA PHE A 66 3.275 1.911 -0.161 1.00 0.00 C ATOM 991 C PHE A 66 2.519 0.868 0.657 1.00 0.00 C ATOM 992 O PHE A 66 2.459 0.949 1.884 1.00 0.00 O ATOM 993 CB PHE A 66 4.754 1.909 0.232 1.00 0.00 C ATOM 994 CG PHE A 66 5.313 0.533 0.456 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.196 -0.084 1.691 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.956 -0.143 -0.568 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.709 -1.350 1.901 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.471 -1.409 -0.364 1.00 0.00 C ATOM 999 CZ PHE A 66 6.348 -2.013 0.872 1.00 0.00 C ATOM 0 H PHE A 66 2.414 3.439 0.989 1.00 0.00 H new ATOM 0 HA PHE A 66 3.186 1.654 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.330 2.404 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.881 2.496 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.698 0.431 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.056 0.325 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.610 -1.820 2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.969 -1.926 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.751 -3.002 1.033 1.00 0.00 H new ATOM 1009 N TYR A 67 1.942 -0.110 -0.032 1.00 0.00 N ATOM 1010 CA TYR A 67 1.186 -1.168 0.629 1.00 0.00 C ATOM 1011 C TYR A 67 2.098 -2.024 1.503 1.00 0.00 C ATOM 1012 O TYR A 67 2.905 -2.805 0.998 1.00 0.00 O ATOM 1013 CB TYR A 67 0.483 -2.045 -0.407 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.599 -1.323 -1.179 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.278 -0.419 -2.183 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.942 -1.545 -0.903 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.262 0.244 -2.890 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.934 -0.888 -1.605 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.589 0.006 -2.597 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.573 0.663 -3.299 1.00 0.00 O ATOM 0 H TYR A 67 1.983 -0.192 -1.048 1.00 0.00 H new ATOM 0 HA TYR A 67 0.436 -0.700 1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.224 -2.428 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.045 -2.907 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.760 -0.231 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.216 -2.243 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.994 0.944 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.974 -1.073 -1.378 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.452 0.382 -2.970 1.00 0.00 H new ATOM 1030 N ILE A 68 1.962 -1.872 2.816 1.00 0.00 N ATOM 1031 CA ILE A 68 2.771 -2.632 3.760 1.00 0.00 C ATOM 1032 C ILE A 68 2.198 -4.029 3.976 1.00 0.00 C ATOM 1033 O ILE A 68 2.565 -4.722 4.925 1.00 0.00 O ATOM 1034 CB ILE A 68 2.872 -1.915 5.119 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.581 -2.104 5.918 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.165 -0.436 4.917 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.656 -1.560 7.327 1.00 0.00 C ATOM 0 H ILE A 68 1.299 -1.229 3.250 1.00 0.00 H new ATOM 0 HA ILE A 68 3.768 -2.714 3.327 1.00 0.00 H new ATOM 0 HB ILE A 68 3.694 -2.354 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.762 -1.614 5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.342 -3.167 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.233 0.057 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.109 -0.322 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.363 0.018 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.706 -1.729 7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.452 -2.068 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.864 -0.491 7.294 1.00 0.00 H new ATOM 1049 N ASP A 69 1.297 -4.436 3.089 1.00 0.00 N ATOM 1050 CA ASP A 69 0.674 -5.752 3.180 1.00 0.00 C ATOM 1051 C ASP A 69 1.184 -6.672 2.075 1.00 0.00 C ATOM 1052 O ASP A 69 1.234 -7.891 2.243 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.848 -5.626 3.094 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.399 -4.592 4.057 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.303 -4.813 5.282 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.927 -3.563 3.585 1.00 0.00 O ATOM 0 H ASP A 69 0.981 -3.874 2.299 1.00 0.00 H new ATOM 0 HA ASP A 69 0.941 -6.188 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.130 -5.357 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.302 -6.594 3.306 1.00 0.00 H new ATOM 1061 N TYR A 70 1.561 -6.081 0.947 1.00 0.00 N ATOM 1062 CA TYR A 70 2.064 -6.848 -0.187 1.00 0.00 C ATOM 1063 C TYR A 70 3.491 -6.436 -0.532 1.00 0.00 C ATOM 1064 O TYR A 70 4.368 -7.281 -0.709 1.00 0.00 O ATOM 1065 CB TYR A 70 1.156 -6.654 -1.403 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.249 -7.173 -1.198 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.143 -6.506 -0.370 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.683 -8.329 -1.834 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.428 -6.977 -0.180 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -1.967 -8.806 -1.651 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.835 -8.127 -0.823 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.115 -8.598 -0.637 1.00 0.00 O ATOM 0 H TYR A 70 1.528 -5.073 0.793 1.00 0.00 H new ATOM 0 HA TYR A 70 2.067 -7.902 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.110 -5.592 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.599 -7.159 -2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.828 -5.604 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.005 -8.864 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.110 -6.447 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.289 -9.706 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.709 -7.852 -0.412 1.00 0.00 H new ATOM 1082 N GLY A 71 3.717 -5.129 -0.628 1.00 0.00 N ATOM 1083 CA GLY A 71 5.039 -4.626 -0.952 1.00 0.00 C ATOM 1084 C GLY A 71 5.075 -3.906 -2.285 1.00 0.00 C ATOM 1085 O GLY A 71 5.964 -4.143 -3.102 1.00 0.00 O ATOM 0 H GLY A 71 3.008 -4.410 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.368 -3.946 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.745 -5.456 -0.972 1.00 0.00 H new ATOM 1089 N ASN A 72 4.105 -3.026 -2.507 1.00 0.00 N ATOM 1090 CA ASN A 72 4.028 -2.270 -3.752 1.00 0.00 C ATOM 1091 C ASN A 72 3.756 -0.795 -3.477 1.00 0.00 C ATOM 1092 O ASN A 72 3.451 -0.409 -2.348 1.00 0.00 O ATOM 1093 CB ASN A 72 2.932 -2.843 -4.653 1.00 0.00 C ATOM 1094 CG ASN A 72 3.227 -2.635 -6.126 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.119 -3.271 -6.687 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.477 -1.741 -6.759 1.00 0.00 N ATOM 0 H ASN A 72 3.361 -2.818 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 72 4.989 -2.355 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.823 -3.909 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.980 -2.373 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.629 -1.558 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.748 -1.237 -6.253 1.00 0.00 H new ATOM 1103 N ARG A 73 3.868 0.026 -4.517 1.00 0.00 N ATOM 1104 CA ARG A 73 3.635 1.459 -4.387 1.00 0.00 C ATOM 1105 C ARG A 73 2.673 1.953 -5.464 1.00 0.00 C ATOM 1106 O ARG A 73 2.664 1.441 -6.583 1.00 0.00 O ATOM 1107 CB ARG A 73 4.957 2.223 -4.481 1.00 0.00 C ATOM 1108 CG ARG A 73 6.065 1.630 -3.626 1.00 0.00 C ATOM 1109 CD ARG A 73 7.438 1.926 -4.209 1.00 0.00 C ATOM 1110 NE ARG A 73 7.776 3.344 -4.120 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.896 3.864 -4.609 1.00 0.00 C ATOM 1112 NH1 ARG A 73 9.782 3.087 -5.217 1.00 0.00 N ATOM 1113 NH2 ARG A 73 9.133 5.164 -4.489 1.00 0.00 N ATOM 0 H ARG A 73 4.119 -0.277 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 73 3.186 1.641 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.283 2.242 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.791 3.257 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.003 2.035 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.927 0.552 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.190 1.340 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.464 1.612 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 73 7.116 3.969 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.604 2.087 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.641 3.489 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.455 5.765 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.993 5.562 -4.865 1.00 0.00 H new ATOM 1127 N GLU A 74 1.864 2.949 -5.116 1.00 0.00 N ATOM 1128 CA GLU A 74 0.898 3.510 -6.053 1.00 0.00 C ATOM 1129 C GLU A 74 0.496 4.923 -5.639 1.00 0.00 C ATOM 1130 O GLU A 74 0.343 5.214 -4.453 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.343 2.618 -6.135 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.343 3.062 -7.190 1.00 0.00 C ATOM 1133 CD GLU A 74 -1.018 2.518 -8.567 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.032 2.902 -9.125 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.813 1.708 -9.088 1.00 0.00 O ATOM 0 H GLU A 74 1.858 3.383 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 74 1.368 3.558 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.032 1.596 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.835 2.604 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.341 2.734 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.364 4.151 -7.229 1.00 0.00 H new ATOM 1142 N VAL A 75 0.326 5.797 -6.626 1.00 0.00 N ATOM 1143 CA VAL A 75 -0.058 7.179 -6.366 1.00 0.00 C ATOM 1144 C VAL A 75 -1.573 7.345 -6.412 1.00 0.00 C ATOM 1145 O VAL A 75 -2.166 7.444 -7.487 1.00 0.00 O ATOM 1146 CB VAL A 75 0.584 8.141 -7.382 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.078 9.560 -7.169 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.101 8.087 -7.282 1.00 0.00 C ATOM 0 H VAL A 75 0.448 5.572 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 75 0.302 7.425 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 75 0.297 7.826 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.543 10.225 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.004 9.583 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.332 9.890 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.538 8.773 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.410 8.376 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.443 7.073 -7.490 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.195 7.377 -5.238 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.642 7.533 -5.143 1.00 0.00 C ATOM 1160 C LEU A 76 -4.005 8.848 -4.462 1.00 0.00 C ATOM 1161 O LEU A 76 -3.249 9.386 -3.653 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.251 6.361 -4.371 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.762 4.968 -4.770 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.815 4.023 -3.579 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.590 4.422 -5.923 1.00 0.00 C ATOM 0 H LEU A 76 -1.720 7.297 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.048 7.545 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.047 6.506 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.333 6.394 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.726 5.048 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.464 3.037 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.178 4.406 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.841 3.948 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.228 3.430 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.635 4.357 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.501 5.087 -6.782 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.191 9.380 -4.794 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.682 10.638 -4.224 1.00 0.00 C ATOM 1179 C PRO A 77 -6.045 10.503 -2.749 1.00 0.00 C ATOM 1180 O PRO A 77 -6.053 9.401 -2.201 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.930 10.941 -5.057 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.389 9.612 -5.550 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.143 8.794 -5.752 1.00 0.00 C ATOM 0 HA PRO A 77 -4.928 11.424 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.698 11.427 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.700 11.612 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.055 9.137 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.946 9.712 -6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.319 7.738 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.777 8.865 -6.776 1.00 0.00 H new ATOM 1191 N SER A 78 -6.347 11.630 -2.113 1.00 0.00 N ATOM 1192 CA SER A 78 -6.708 11.638 -0.700 1.00 0.00 C ATOM 1193 C SER A 78 -8.126 11.113 -0.500 1.00 0.00 C ATOM 1194 O SER A 78 -8.647 11.108 0.616 1.00 0.00 O ATOM 1195 CB SER A 78 -6.590 13.053 -0.130 1.00 0.00 C ATOM 1196 OG SER A 78 -7.666 13.868 -0.561 1.00 0.00 O ATOM 0 H SER A 78 -6.349 12.550 -2.554 1.00 0.00 H new ATOM 0 HA SER A 78 -6.018 10.982 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.576 13.010 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.645 13.497 -0.443 1.00 0.00 H new ATOM 0 HG SER A 78 -7.510 14.153 -1.486 1.00 0.00 H new ATOM 1202 N THR A 79 -8.747 10.672 -1.589 1.00 0.00 N ATOM 1203 CA THR A 79 -10.105 10.146 -1.535 1.00 0.00 C ATOM 1204 C THR A 79 -10.105 8.655 -1.216 1.00 0.00 C ATOM 1205 O THR A 79 -10.951 8.172 -0.464 1.00 0.00 O ATOM 1206 CB THR A 79 -10.850 10.375 -2.863 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.092 9.833 -3.950 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.093 11.858 -3.099 1.00 0.00 C ATOM 0 H THR A 79 -8.331 10.669 -2.520 1.00 0.00 H new ATOM 0 HA THR A 79 -10.621 10.685 -0.740 1.00 0.00 H new ATOM 0 HB THR A 79 -11.814 9.869 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.574 9.981 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.621 11.995 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.695 12.262 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.138 12.382 -3.138 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.151 7.932 -1.793 1.00 0.00 N ATOM 1217 CA ARG A 80 -9.042 6.495 -1.570 1.00 0.00 C ATOM 1218 C ARG A 80 -8.349 6.202 -0.243 1.00 0.00 C ATOM 1219 O ARG A 80 -8.226 5.045 0.164 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.271 5.837 -2.716 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.384 6.585 -4.035 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.191 5.654 -5.221 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.641 6.260 -6.471 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.919 6.364 -6.819 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.868 5.905 -6.015 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.250 6.928 -7.974 1.00 0.00 N ATOM 0 H ARG A 80 -8.443 8.317 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.050 6.081 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.219 5.762 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.638 4.820 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.362 7.063 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.638 7.379 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.137 5.388 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.740 4.728 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.936 6.623 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.618 5.471 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.848 5.986 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.523 7.282 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.231 7.007 -8.240 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.897 7.255 0.428 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.215 7.112 1.710 1.00 0.00 C ATOM 1242 C LEU A 81 -8.160 7.422 2.867 1.00 0.00 C ATOM 1243 O LEU A 81 -8.939 8.372 2.807 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.997 8.035 1.769 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.930 7.807 0.698 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.891 8.918 0.735 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.268 6.450 0.885 1.00 0.00 C ATOM 0 H LEU A 81 -7.990 8.218 0.106 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.883 6.078 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.343 9.066 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.530 7.925 2.748 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.414 7.822 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.140 8.739 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.377 9.877 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.412 8.935 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.511 6.305 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.798 6.407 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.020 5.665 0.808 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.082 6.616 3.921 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.934 6.822 5.077 1.00 0.00 C ATOM 1261 C GLY A 82 -8.201 6.595 6.385 1.00 0.00 C ATOM 1262 O GLY A 82 -7.056 6.143 6.394 1.00 0.00 O ATOM 0 H GLY A 82 -7.444 5.824 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.329 7.838 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.788 6.147 5.020 1.00 0.00 H new ATOM 1266 N THR A 83 -8.862 6.911 7.494 1.00 0.00 N ATOM 1267 CA THR A 83 -8.266 6.742 8.813 1.00 0.00 C ATOM 1268 C THR A 83 -8.154 5.267 9.181 1.00 0.00 C ATOM 1269 O THR A 83 -9.163 4.585 9.368 1.00 0.00 O ATOM 1270 CB THR A 83 -9.084 7.469 9.897 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.529 8.738 9.406 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.256 7.668 11.157 1.00 0.00 C ATOM 0 H THR A 83 -9.811 7.286 7.505 1.00 0.00 H new ATOM 0 HA THR A 83 -7.269 7.179 8.767 1.00 0.00 H new ATOM 0 HB THR A 83 -9.948 6.853 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.050 9.193 10.100 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.855 8.183 11.908 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.944 6.698 11.544 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.375 8.265 10.923 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.923 4.779 9.284 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.679 3.383 9.631 1.00 0.00 C ATOM 1282 C LEU A 84 -7.002 3.123 11.099 1.00 0.00 C ATOM 1283 O LEU A 84 -6.367 3.682 11.993 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.223 3.012 9.343 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.716 1.728 9.999 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.412 0.514 9.404 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.207 1.609 9.842 1.00 0.00 C ATOM 0 H LEU A 84 -6.078 5.329 9.132 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.333 2.762 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.099 2.918 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.588 3.837 9.666 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.949 1.770 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.038 -0.391 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.487 0.594 9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.211 0.467 8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.863 0.689 10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.952 1.590 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.723 2.463 10.316 1.00 0.00 H new ATOM 1299 N SER A 85 -7.991 2.268 11.339 1.00 0.00 N ATOM 1300 CA SER A 85 -8.398 1.934 12.699 1.00 0.00 C ATOM 1301 C SER A 85 -7.273 1.222 13.444 1.00 0.00 C ATOM 1302 O SER A 85 -6.506 0.449 12.870 1.00 0.00 O ATOM 1303 CB SER A 85 -9.649 1.052 12.677 1.00 0.00 C ATOM 1304 OG SER A 85 -9.990 0.618 13.982 1.00 0.00 O ATOM 0 H SER A 85 -8.525 1.794 10.610 1.00 0.00 H new ATOM 0 HA SER A 85 -8.625 2.863 13.222 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.482 1.608 12.246 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.477 0.187 12.036 1.00 0.00 H new ATOM 0 HG SER A 85 -10.715 1.176 14.333 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.172 1.488 14.755 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.145 0.883 15.608 1.00 0.00 C ATOM 1312 C PRO A 86 -6.379 -0.608 15.829 1.00 0.00 C ATOM 1313 O PRO A 86 -5.479 -1.330 16.257 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.284 1.647 16.927 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.695 2.126 16.940 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.052 2.399 15.505 1.00 0.00 C ATOM 0 HA PRO A 86 -5.153 0.952 15.162 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.077 1.003 17.781 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.583 2.480 16.978 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.358 1.376 17.371 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.796 3.027 17.546 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.104 2.195 15.307 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.874 3.441 15.238 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.592 -1.062 15.533 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.943 -2.467 15.697 1.00 0.00 C ATOM 1326 C ALA A 87 -7.400 -3.306 14.545 1.00 0.00 C ATOM 1327 O ALA A 87 -7.046 -4.472 14.726 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.452 -2.626 15.803 1.00 0.00 C ATOM 0 H ALA A 87 -8.348 -0.477 15.178 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.486 -2.825 16.620 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.699 -3.681 15.925 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.817 -2.066 16.664 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.923 -2.246 14.896 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.338 -2.707 13.361 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.841 -3.400 12.178 1.00 0.00 C ATOM 1336 C PHE A 88 -5.432 -2.931 11.825 1.00 0.00 C ATOM 1337 O PHE A 88 -4.743 -3.553 11.018 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.780 -3.170 10.993 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.229 -3.382 11.326 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.670 -4.599 11.819 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.151 -2.363 11.146 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.003 -4.797 12.127 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.484 -2.554 11.453 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.911 -3.773 11.943 1.00 0.00 C ATOM 0 H PHE A 88 -7.626 -1.743 13.195 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.805 -4.466 12.401 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.645 -2.153 10.625 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.500 -3.842 10.182 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.964 -5.403 11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.823 -1.409 10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.334 -5.751 12.511 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.192 -1.751 11.310 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.953 -3.925 12.182 1.00 0.00 H new ATOM 1354 N SER A 89 -5.013 -1.827 12.435 1.00 0.00 N ATOM 1355 CA SER A 89 -3.689 -1.270 12.183 1.00 0.00 C ATOM 1356 C SER A 89 -2.611 -2.338 12.341 1.00 0.00 C ATOM 1357 O SER A 89 -2.731 -3.240 13.170 1.00 0.00 O ATOM 1358 CB SER A 89 -3.413 -0.105 13.135 1.00 0.00 C ATOM 1359 OG SER A 89 -3.615 -0.489 14.484 1.00 0.00 O ATOM 0 H SER A 89 -5.571 -1.301 13.107 1.00 0.00 H new ATOM 0 HA SER A 89 -3.665 -0.904 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.388 0.242 13.002 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.067 0.732 12.890 1.00 0.00 H new ATOM 0 HG SER A 89 -3.142 0.133 15.075 1.00 0.00 H new ATOM 1365 N THR A 90 -1.556 -2.228 11.539 1.00 0.00 N ATOM 1366 CA THR A 90 -0.457 -3.184 11.588 1.00 0.00 C ATOM 1367 C THR A 90 0.021 -3.399 13.019 1.00 0.00 C ATOM 1368 O THR A 90 0.577 -4.448 13.346 1.00 0.00 O ATOM 1369 CB THR A 90 0.731 -2.717 10.726 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.794 -3.674 10.797 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.235 -1.358 11.189 1.00 0.00 C ATOM 0 H THR A 90 -1.440 -1.487 10.848 1.00 0.00 H new ATOM 0 HA THR A 90 -0.838 -4.125 11.190 1.00 0.00 H new ATOM 0 HB THR A 90 0.390 -2.629 9.695 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.450 -4.563 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.074 -1.049 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.433 -0.625 11.107 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.560 -1.425 12.227 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.199 -2.401 13.868 1.00 0.00 N ATOM 1380 CA ARG A 91 0.211 -2.481 15.265 1.00 0.00 C ATOM 1381 C ARG A 91 -0.084 -3.864 15.839 1.00 0.00 C ATOM 1382 O ARG A 91 0.586 -4.319 16.766 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.505 -1.411 16.091 1.00 0.00 C ATOM 1384 CG ARG A 91 0.245 -0.091 16.158 1.00 0.00 C ATOM 1385 CD ARG A 91 1.246 -0.076 17.303 1.00 0.00 C ATOM 1386 NE ARG A 91 2.308 0.903 17.089 1.00 0.00 N ATOM 1387 CZ ARG A 91 3.347 1.049 17.903 1.00 0.00 C ATOM 1388 NH1 ARG A 91 3.463 0.284 18.980 1.00 0.00 N ATOM 1389 NH2 ARG A 91 4.273 1.963 17.641 1.00 0.00 N ATOM 0 H ARG A 91 -0.659 -1.527 13.613 1.00 0.00 H new ATOM 0 HA ARG A 91 1.286 -2.308 15.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.493 -1.237 15.666 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.655 -1.786 17.103 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.766 0.081 15.216 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.465 0.726 16.284 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.727 0.150 18.235 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.684 -1.068 17.414 1.00 0.00 H new ATOM 0 HE ARG A 91 2.249 1.508 16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.753 -0.419 19.185 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.262 0.399 19.603 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.187 2.554 16.814 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.071 2.075 18.267 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.092 -4.528 15.281 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.475 -5.859 15.737 1.00 0.00 C ATOM 1405 C VAL A 92 -0.866 -6.940 14.851 1.00 0.00 C ATOM 1406 O VAL A 92 -0.446 -7.992 15.336 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.006 -6.027 15.753 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.396 -7.304 16.482 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.668 -4.815 16.392 1.00 0.00 C ATOM 0 H VAL A 92 -1.657 -4.166 14.513 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.094 -5.968 16.752 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.356 -6.104 14.724 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.481 -7.405 16.483 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.952 -8.162 15.977 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.035 -7.261 17.509 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.750 -4.951 16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.313 -4.705 17.417 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.416 -3.920 15.823 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.820 -6.675 13.550 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.261 -7.625 12.595 1.00 0.00 C ATOM 1421 C LEU A 93 0.940 -7.025 11.870 1.00 0.00 C ATOM 1422 O LEU A 93 0.930 -5.867 11.453 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.326 -8.044 11.580 1.00 0.00 C ATOM 1424 CG LEU A 93 -1.039 -9.327 10.798 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -1.125 -10.539 11.712 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -2.005 -9.467 9.631 1.00 0.00 C ATOM 0 H LEU A 93 -1.163 -5.810 13.132 1.00 0.00 H new ATOM 0 HA LEU A 93 0.072 -8.504 13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.273 -8.167 12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.461 -7.230 10.867 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.026 -9.269 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.918 -11.443 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.393 -10.443 12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.126 -10.602 12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.786 -10.385 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.027 -9.503 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.894 -8.613 8.963 1.00 0.00 H new ATOM 1438 N PRO A 94 2.001 -7.832 11.714 1.00 0.00 N ATOM 1439 CA PRO A 94 3.228 -7.404 11.037 1.00 0.00 C ATOM 1440 C PRO A 94 3.028 -7.215 9.537 1.00 0.00 C ATOM 1441 O PRO A 94 2.308 -7.981 8.897 1.00 0.00 O ATOM 1442 CB PRO A 94 4.202 -8.554 11.306 1.00 0.00 C ATOM 1443 CG PRO A 94 3.331 -9.743 11.528 1.00 0.00 C ATOM 1444 CD PRO A 94 2.083 -9.224 12.187 1.00 0.00 C ATOM 0 HA PRO A 94 3.577 -6.438 11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.875 -8.708 10.463 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.824 -8.350 12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.098 -10.238 10.585 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.829 -10.479 12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.205 -9.800 11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.151 -9.276 13.274 1.00 0.00 H new ATOM 1452 N ALA A 95 3.670 -6.192 8.983 1.00 0.00 N ATOM 1453 CA ALA A 95 3.563 -5.905 7.558 1.00 0.00 C ATOM 1454 C ALA A 95 4.140 -7.044 6.724 1.00 0.00 C ATOM 1455 O ALA A 95 5.335 -7.329 6.789 1.00 0.00 O ATOM 1456 CB ALA A 95 4.269 -4.598 7.229 1.00 0.00 C ATOM 0 H ALA A 95 4.270 -5.548 9.499 1.00 0.00 H new ATOM 0 HA ALA A 95 2.506 -5.807 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.181 -4.396 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.810 -3.785 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.322 -4.676 7.498 1.00 0.00 H new ATOM 1462 N GLN A 96 3.282 -7.693 5.943 1.00 0.00 N ATOM 1463 CA GLN A 96 3.707 -8.802 5.098 1.00 0.00 C ATOM 1464 C GLN A 96 4.430 -8.293 3.854 1.00 0.00 C ATOM 1465 O GLN A 96 4.910 -9.079 3.039 1.00 0.00 O ATOM 1466 CB GLN A 96 2.502 -9.651 4.690 1.00 0.00 C ATOM 1467 CG GLN A 96 1.656 -10.111 5.866 1.00 0.00 C ATOM 1468 CD GLN A 96 2.440 -10.953 6.854 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.109 -11.914 6.475 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.360 -10.595 8.131 1.00 0.00 N ATOM 0 H GLN A 96 2.289 -7.470 5.878 1.00 0.00 H new ATOM 0 HA GLN A 96 4.399 -9.418 5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.877 -9.076 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.853 -10.525 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.249 -9.240 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.808 -10.687 5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.793 -9.791 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.865 -11.124 8.842 1.00 0.00 H new ATOM 1479 N ALA A 97 4.502 -6.973 3.716 1.00 0.00 N ATOM 1480 CA ALA A 97 5.167 -6.360 2.574 1.00 0.00 C ATOM 1481 C ALA A 97 6.577 -6.913 2.397 1.00 0.00 C ATOM 1482 O ALA A 97 7.187 -7.403 3.349 1.00 0.00 O ATOM 1483 CB ALA A 97 5.207 -4.848 2.736 1.00 0.00 C ATOM 0 H ALA A 97 4.108 -6.308 4.381 1.00 0.00 H new ATOM 0 HA ALA A 97 4.595 -6.603 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.707 -4.403 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.190 -4.462 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.753 -4.594 3.644 1.00 0.00 H new