USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 656 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 37 GLN : amide:sc= -4.83! C(o=-4.8!,f=-15!) USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.557 X(o=0.16,f=0.61) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -151:sc= 0.722 (180deg=0.82) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -158:sc= 0.00144 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 142:sc= -6.6! (180deg=-7.52!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 1.04 (180deg=-1.49!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.116 (180deg=0.106) USER MOD Single : A 46 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.633 K(o=-0.63,f=-2.2) USER MOD Single : A 61 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.07) USER MOD Single : A 63 SER OG : rot 40:sc= 0.843 USER MOD Single : A 66 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.6 K(o=-1.6,f=-1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.89 K(o=0.89,f=-0.067) USER MOD Single : A 84 GLN : amide:sc= -1.85 K(o=-1.8,f=-3!) USER MOD Single : A 85 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-5.5!) USER MOD Single : A 91 TYR OH : rot 58:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.159 5.541 -12.670 1.00 0.00 N ATOM 181 CA ILE A 16 4.373 5.680 -11.451 1.00 0.00 C ATOM 182 C ILE A 16 4.911 6.807 -10.576 1.00 0.00 C ATOM 183 O ILE A 16 6.091 6.826 -10.227 1.00 0.00 O ATOM 184 CB ILE A 16 4.361 4.374 -10.636 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.747 3.239 -11.459 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.595 4.567 -9.336 1.00 0.00 C ATOM 187 CD1 ILE A 16 3.933 1.873 -10.837 1.00 0.00 C ATOM 0 HA ILE A 16 3.354 5.916 -11.758 1.00 0.00 H new ATOM 0 HB ILE A 16 5.389 4.106 -10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.681 3.429 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.193 3.240 -12.454 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.596 3.635 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.072 5.349 -8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.568 4.856 -9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.473 1.117 -11.474 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.997 1.662 -10.734 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.463 1.854 -9.854 1.00 0.00 H new ATOM 199 N ASN A 17 4.037 7.745 -10.224 1.00 0.00 N ATOM 200 CA ASN A 17 4.424 8.875 -9.388 1.00 0.00 C ATOM 201 C ASN A 17 4.127 8.592 -7.918 1.00 0.00 C ATOM 202 O ASN A 17 2.979 8.672 -7.480 1.00 0.00 O ATOM 203 CB ASN A 17 3.689 10.141 -9.834 1.00 0.00 C ATOM 204 CG ASN A 17 4.493 11.400 -9.570 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.624 11.536 -10.037 1.00 0.00 O ATOM 206 ND2 ASN A 17 3.911 12.327 -8.818 1.00 0.00 N ATOM 0 H ASN A 17 3.056 7.744 -10.505 1.00 0.00 H new ATOM 0 HA ASN A 17 5.497 9.027 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.466 10.072 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.734 10.207 -9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.403 13.195 -8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.972 12.171 -8.452 1.00 0.00 H new ATOM 213 N ILE A 18 5.169 8.262 -7.163 1.00 0.00 N ATOM 214 CA ILE A 18 5.020 7.969 -5.743 1.00 0.00 C ATOM 215 C ILE A 18 5.009 9.250 -4.916 1.00 0.00 C ATOM 216 O ILE A 18 5.911 10.081 -5.024 1.00 0.00 O ATOM 217 CB ILE A 18 6.150 7.053 -5.236 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.335 5.864 -6.180 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.849 6.573 -3.824 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.158 4.915 -6.195 1.00 0.00 C ATOM 0 H ILE A 18 6.125 8.191 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 18 4.066 7.455 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 18 7.078 7.624 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.504 6.236 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.230 5.315 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.656 5.927 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.763 7.432 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.912 6.016 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.359 4.097 -6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.001 4.514 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.264 5.449 -6.516 1.00 0.00 H new ATOM 232 N THR A 19 3.981 9.403 -4.086 1.00 0.00 N ATOM 233 CA THR A 19 3.852 10.582 -3.239 1.00 0.00 C ATOM 234 C THR A 19 3.664 10.191 -1.778 1.00 0.00 C ATOM 235 O THR A 19 3.213 9.087 -1.474 1.00 0.00 O ATOM 236 CB THR A 19 2.668 11.463 -3.680 1.00 0.00 C ATOM 237 OG1 THR A 19 1.457 10.699 -3.667 1.00 0.00 O ATOM 238 CG2 THR A 19 2.903 12.028 -5.072 1.00 0.00 C ATOM 0 H THR A 19 3.226 8.725 -3.983 1.00 0.00 H new ATOM 0 HA THR A 19 4.776 11.150 -3.344 1.00 0.00 H new ATOM 0 HB THR A 19 2.580 12.293 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.709 11.267 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.054 12.647 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.809 12.634 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.015 11.209 -5.783 1.00 0.00 H new ATOM 246 N ALA A 20 4.011 11.103 -0.876 1.00 0.00 N ATOM 247 CA ALA A 20 3.878 10.854 0.554 1.00 0.00 C ATOM 248 C ALA A 20 2.520 10.241 0.880 1.00 0.00 C ATOM 249 O ALA A 20 2.411 9.381 1.753 1.00 0.00 O ATOM 250 CB ALA A 20 4.078 12.145 1.335 1.00 0.00 C ATOM 0 H ALA A 20 4.387 12.022 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 20 4.649 10.142 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.976 11.945 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.073 12.541 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.328 12.875 1.030 1.00 0.00 H new ATOM 256 N ALA A 21 1.488 10.690 0.173 1.00 0.00 N ATOM 257 CA ALA A 21 0.138 10.184 0.386 1.00 0.00 C ATOM 258 C ALA A 21 0.133 8.663 0.499 1.00 0.00 C ATOM 259 O ALA A 21 -0.648 8.091 1.260 1.00 0.00 O ATOM 260 CB ALA A 21 -0.779 10.635 -0.741 1.00 0.00 C ATOM 0 H ALA A 21 1.561 11.403 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.232 10.593 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.784 10.250 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.808 11.724 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.403 10.255 -1.691 1.00 0.00 H new ATOM 266 N ILE A 22 1.008 8.015 -0.262 1.00 0.00 N ATOM 267 CA ILE A 22 1.104 6.561 -0.247 1.00 0.00 C ATOM 268 C ILE A 22 1.001 6.019 1.175 1.00 0.00 C ATOM 269 O ILE A 22 0.392 4.975 1.409 1.00 0.00 O ATOM 270 CB ILE A 22 2.425 6.077 -0.874 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.391 4.561 -1.080 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.604 6.472 0.003 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.260 4.088 -2.224 1.00 0.00 C ATOM 0 H ILE A 22 1.661 8.474 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 22 0.271 6.183 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 22 2.545 6.555 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.714 4.070 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.362 4.250 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.530 6.123 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.635 7.557 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.492 6.020 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.187 3.004 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.924 4.551 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.296 4.368 -2.034 1.00 0.00 H new ATOM 285 N TYR A 23 1.598 6.735 2.120 1.00 0.00 N ATOM 286 CA TYR A 23 1.574 6.326 3.519 1.00 0.00 C ATOM 287 C TYR A 23 0.149 6.335 4.065 1.00 0.00 C ATOM 288 O TYR A 23 -0.292 5.374 4.696 1.00 0.00 O ATOM 289 CB TYR A 23 2.459 7.249 4.358 1.00 0.00 C ATOM 290 CG TYR A 23 3.919 7.208 3.967 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.657 6.036 4.084 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.560 8.340 3.479 1.00 0.00 C ATOM 293 CE1 TYR A 23 5.992 5.994 3.729 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.894 8.307 3.120 1.00 0.00 C ATOM 295 CZ TYR A 23 6.605 7.132 3.247 1.00 0.00 C ATOM 296 OH TYR A 23 7.934 7.094 2.890 1.00 0.00 O ATOM 0 H TYR A 23 2.105 7.602 1.943 1.00 0.00 H new ATOM 0 HA TYR A 23 1.961 5.309 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.095 8.272 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.365 6.973 5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.179 5.143 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.006 9.262 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.552 5.076 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.377 9.196 2.742 1.00 0.00 H new ATOM 0 HH TYR A 23 8.305 8.001 2.913 1.00 0.00 H new ATOM 306 N ASP A 24 -0.565 7.427 3.818 1.00 0.00 N ATOM 307 CA ASP A 24 -1.941 7.563 4.282 1.00 0.00 C ATOM 308 C ASP A 24 -2.813 6.438 3.734 1.00 0.00 C ATOM 309 O ASP A 24 -3.548 5.791 4.479 1.00 0.00 O ATOM 310 CB ASP A 24 -2.512 8.918 3.862 1.00 0.00 C ATOM 311 CG ASP A 24 -2.268 9.996 4.900 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.472 9.720 6.101 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.872 11.115 4.512 1.00 0.00 O ATOM 0 H ASP A 24 -0.214 8.232 3.299 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.939 7.500 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.063 9.221 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.584 8.820 3.690 1.00 0.00 H new ATOM 318 N GLU A 25 -2.725 6.211 2.427 1.00 0.00 N ATOM 319 CA GLU A 25 -3.508 5.165 1.779 1.00 0.00 C ATOM 320 C GLU A 25 -3.289 3.819 2.464 1.00 0.00 C ATOM 321 O GLU A 25 -4.218 3.022 2.600 1.00 0.00 O ATOM 322 CB GLU A 25 -3.138 5.063 0.298 1.00 0.00 C ATOM 323 CG GLU A 25 -3.205 6.390 -0.439 1.00 0.00 C ATOM 324 CD GLU A 25 -3.517 6.223 -1.913 1.00 0.00 C ATOM 325 OE1 GLU A 25 -2.679 5.643 -2.635 1.00 0.00 O ATOM 326 OE2 GLU A 25 -4.599 6.672 -2.345 1.00 0.00 O ATOM 0 H GLU A 25 -2.120 6.737 1.797 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.562 5.430 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.129 4.659 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.808 4.353 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.967 7.019 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.254 6.911 -0.329 1.00 0.00 H new ATOM 333 N ILE A 26 -2.055 3.574 2.892 1.00 0.00 N ATOM 334 CA ILE A 26 -1.714 2.325 3.562 1.00 0.00 C ATOM 335 C ILE A 26 -2.389 2.231 4.926 1.00 0.00 C ATOM 336 O ILE A 26 -2.793 1.151 5.356 1.00 0.00 O ATOM 337 CB ILE A 26 -0.192 2.182 3.744 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.496 2.049 2.384 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.126 0.982 4.624 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.947 2.477 2.397 1.00 0.00 C ATOM 0 H ILE A 26 -1.275 4.223 2.787 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.073 1.517 2.925 1.00 0.00 H new ATOM 0 HB ILE A 26 0.186 3.079 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.434 1.012 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.045 2.649 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.206 0.894 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.337 1.115 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.262 0.076 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.371 2.356 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.015 3.523 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.502 1.861 3.104 1.00 0.00 H new ATOM 352 N GLN A 27 -2.509 3.371 5.601 1.00 0.00 N ATOM 353 CA GLN A 27 -3.137 3.417 6.916 1.00 0.00 C ATOM 354 C GLN A 27 -4.625 3.096 6.821 1.00 0.00 C ATOM 355 O GLN A 27 -5.143 2.281 7.583 1.00 0.00 O ATOM 356 CB GLN A 27 -2.939 4.794 7.551 1.00 0.00 C ATOM 357 CG GLN A 27 -1.480 5.191 7.701 1.00 0.00 C ATOM 358 CD GLN A 27 -1.281 6.320 8.693 1.00 0.00 C ATOM 359 OE1 GLN A 27 -0.984 6.087 9.865 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.444 7.553 8.227 1.00 0.00 N ATOM 0 H GLN A 27 -2.180 4.274 5.259 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.662 2.664 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.450 5.542 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.412 4.803 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.903 4.324 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.088 5.493 6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.690 7.700 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.323 8.353 8.848 1.00 0.00 H new ATOM 369 N GLN A 28 -5.306 3.744 5.881 1.00 0.00 N ATOM 370 CA GLN A 28 -6.735 3.528 5.687 1.00 0.00 C ATOM 371 C GLN A 28 -7.000 2.156 5.075 1.00 0.00 C ATOM 372 O GLN A 28 -7.869 1.418 5.537 1.00 0.00 O ATOM 373 CB GLN A 28 -7.321 4.621 4.793 1.00 0.00 C ATOM 374 CG GLN A 28 -7.195 6.018 5.378 1.00 0.00 C ATOM 375 CD GLN A 28 -8.062 7.033 4.658 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.284 7.040 4.806 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.431 7.898 3.872 1.00 0.00 N ATOM 0 H GLN A 28 -4.891 4.423 5.242 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.219 3.570 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.820 4.595 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.374 4.405 4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.471 5.993 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.153 6.336 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.416 7.856 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.961 8.604 3.362 1.00 0.00 H new ATOM 386 N GLU A 29 -6.246 1.824 4.032 1.00 0.00 N ATOM 387 CA GLU A 29 -6.401 0.541 3.355 1.00 0.00 C ATOM 388 C GLU A 29 -6.496 -0.598 4.366 1.00 0.00 C ATOM 389 O GLU A 29 -7.255 -1.549 4.175 1.00 0.00 O ATOM 390 CB GLU A 29 -5.229 0.296 2.402 1.00 0.00 C ATOM 391 CG GLU A 29 -5.393 -0.946 1.543 1.00 0.00 C ATOM 392 CD GLU A 29 -6.742 -1.003 0.852 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.192 0.043 0.340 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.347 -2.095 0.823 1.00 0.00 O ATOM 0 H GLU A 29 -5.522 2.425 3.637 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.326 0.572 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.112 1.164 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.311 0.207 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.603 -0.971 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.270 -1.832 2.165 1.00 0.00 H new ATOM 401 N MET A 30 -5.721 -0.495 5.440 1.00 0.00 N ATOM 402 CA MET A 30 -5.718 -1.517 6.481 1.00 0.00 C ATOM 403 C MET A 30 -7.081 -1.605 7.159 1.00 0.00 C ATOM 404 O MET A 30 -7.730 -2.651 7.138 1.00 0.00 O ATOM 405 CB MET A 30 -4.636 -1.213 7.520 1.00 0.00 C ATOM 406 CG MET A 30 -3.293 -1.851 7.203 1.00 0.00 C ATOM 407 SD MET A 30 -2.016 -1.408 8.395 1.00 0.00 S ATOM 408 CE MET A 30 -1.317 0.047 7.618 1.00 0.00 C ATOM 0 H MET A 30 -5.087 0.285 5.613 1.00 0.00 H new ATOM 0 HA MET A 30 -5.502 -2.478 6.013 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.508 -0.133 7.594 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.973 -1.561 8.496 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.406 -2.935 7.183 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.976 -1.545 6.206 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.066 0.783 8.382 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.416 -0.230 7.071 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.043 0.475 6.927 1.00 0.00 H new ATOM 418 N LYS A 31 -7.510 -0.502 7.762 1.00 0.00 N ATOM 419 CA LYS A 31 -8.796 -0.453 8.447 1.00 0.00 C ATOM 420 C LYS A 31 -9.937 -0.766 7.484 1.00 0.00 C ATOM 421 O LYS A 31 -11.019 -1.178 7.902 1.00 0.00 O ATOM 422 CB LYS A 31 -9.010 0.924 9.077 1.00 0.00 C ATOM 423 CG LYS A 31 -9.730 1.905 8.167 1.00 0.00 C ATOM 424 CD LYS A 31 -11.237 1.828 8.345 1.00 0.00 C ATOM 425 CE LYS A 31 -11.723 2.804 9.406 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.135 2.540 9.797 1.00 0.00 N ATOM 0 H LYS A 31 -6.985 0.372 7.790 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.789 -1.208 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.582 0.808 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.042 1.342 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.389 2.918 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.474 1.694 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.728 2.046 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.520 0.813 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.083 2.733 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.635 3.823 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.429 3.226 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.749 2.633 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.215 1.576 10.180 1.00 0.00 H new ATOM 440 N ARG A 32 -9.687 -0.570 6.194 1.00 0.00 N ATOM 441 CA ARG A 32 -10.693 -0.832 5.172 1.00 0.00 C ATOM 442 C ARG A 32 -10.728 -2.314 4.810 1.00 0.00 C ATOM 443 O ARG A 32 -11.797 -2.891 4.616 1.00 0.00 O ATOM 444 CB ARG A 32 -10.411 0.003 3.922 1.00 0.00 C ATOM 445 CG ARG A 32 -11.661 0.376 3.143 1.00 0.00 C ATOM 446 CD ARG A 32 -11.495 1.707 2.426 1.00 0.00 C ATOM 447 NE ARG A 32 -12.491 1.890 1.373 1.00 0.00 N ATOM 448 CZ ARG A 32 -12.872 3.079 0.921 1.00 0.00 C ATOM 449 NH1 ARG A 32 -12.344 4.185 1.427 1.00 0.00 N ATOM 450 NH2 ARG A 32 -13.784 3.164 -0.039 1.00 0.00 N ATOM 0 H ARG A 32 -8.796 -0.231 5.831 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.666 -0.552 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.890 0.915 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.738 -0.553 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.884 -0.405 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.511 0.431 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.577 2.520 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.496 1.764 1.994 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.917 1.059 0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.643 4.124 2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.639 5.097 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.193 2.316 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.076 4.078 -0.386 1.00 0.00 H new ATOM 464 N ALA A 33 -9.550 -2.923 4.721 1.00 0.00 N ATOM 465 CA ALA A 33 -9.446 -4.338 4.384 1.00 0.00 C ATOM 466 C ALA A 33 -9.528 -5.207 5.633 1.00 0.00 C ATOM 467 O ALA A 33 -9.721 -6.420 5.547 1.00 0.00 O ATOM 468 CB ALA A 33 -8.149 -4.607 3.635 1.00 0.00 C ATOM 0 H ALA A 33 -8.655 -2.459 4.877 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.286 -4.596 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.084 -5.667 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.131 -4.020 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.302 -4.327 4.262 1.00 0.00 H new ATOM 474 N LYS A 34 -9.381 -4.581 6.795 1.00 0.00 N ATOM 475 CA LYS A 34 -9.439 -5.296 8.064 1.00 0.00 C ATOM 476 C LYS A 34 -8.211 -6.183 8.246 1.00 0.00 C ATOM 477 O LYS A 34 -8.331 -7.376 8.526 1.00 0.00 O ATOM 478 CB LYS A 34 -10.710 -6.146 8.136 1.00 0.00 C ATOM 479 CG LYS A 34 -11.924 -5.478 7.513 1.00 0.00 C ATOM 480 CD LYS A 34 -12.638 -4.579 8.508 1.00 0.00 C ATOM 481 CE LYS A 34 -11.679 -3.594 9.158 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.383 -2.378 9.652 1.00 0.00 N ATOM 0 H LYS A 34 -9.220 -3.578 6.884 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.455 -4.559 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.531 -7.096 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.926 -6.373 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.614 -4.891 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.614 -6.240 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.433 -4.033 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.111 -5.190 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.167 -4.080 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.914 -3.303 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.998 -1.537 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.399 -2.458 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.244 -2.289 10.679 1.00 0.00 H new ATOM 496 N VAL A 35 -7.031 -5.593 8.084 1.00 0.00 N ATOM 497 CA VAL A 35 -5.782 -6.329 8.233 1.00 0.00 C ATOM 498 C VAL A 35 -4.803 -5.576 9.127 1.00 0.00 C ATOM 499 O VAL A 35 -5.140 -4.538 9.697 1.00 0.00 O ATOM 500 CB VAL A 35 -5.117 -6.588 6.868 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.131 -7.140 5.876 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.478 -5.314 6.336 1.00 0.00 C ATOM 0 H VAL A 35 -6.914 -4.607 7.850 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.031 -7.284 8.695 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.332 -7.332 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.643 -7.317 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.537 -8.078 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.940 -6.421 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.013 -5.516 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.242 -4.546 6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.720 -4.966 7.038 1.00 0.00 H new ATOM 512 N SER A 36 -3.590 -6.106 9.245 1.00 0.00 N ATOM 513 CA SER A 36 -2.562 -5.486 10.073 1.00 0.00 C ATOM 514 C SER A 36 -1.352 -5.092 9.233 1.00 0.00 C ATOM 515 O SER A 36 -1.044 -5.736 8.230 1.00 0.00 O ATOM 516 CB SER A 36 -2.133 -6.440 11.190 1.00 0.00 C ATOM 517 OG SER A 36 -0.966 -5.969 11.842 1.00 0.00 O ATOM 0 H SER A 36 -3.295 -6.963 8.778 1.00 0.00 H new ATOM 0 HA SER A 36 -2.983 -4.584 10.517 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.941 -6.544 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.947 -7.431 10.775 1.00 0.00 H new ATOM 0 HG SER A 36 -0.713 -6.595 12.553 1.00 0.00 H new ATOM 523 N GLN A 37 -0.670 -4.030 9.650 1.00 0.00 N ATOM 524 CA GLN A 37 0.507 -3.550 8.935 1.00 0.00 C ATOM 525 C GLN A 37 1.362 -4.715 8.449 1.00 0.00 C ATOM 526 O GLN A 37 1.994 -4.637 7.396 1.00 0.00 O ATOM 527 CB GLN A 37 1.337 -2.633 9.835 1.00 0.00 C ATOM 528 CG GLN A 37 0.510 -1.882 10.867 1.00 0.00 C ATOM 529 CD GLN A 37 1.092 -0.524 11.204 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.868 0.041 10.433 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.719 0.009 12.362 1.00 0.00 N ATOM 0 H GLN A 37 -0.912 -3.486 10.478 1.00 0.00 H new ATOM 0 HA GLN A 37 0.168 -2.986 8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.091 -3.228 10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.869 -1.912 9.214 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.505 -1.755 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.441 -2.479 11.776 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.074 -0.494 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.078 0.922 12.643 1.00 0.00 H new ATOM 540 N ALA A 38 1.377 -5.795 9.223 1.00 0.00 N ATOM 541 CA ALA A 38 2.154 -6.977 8.871 1.00 0.00 C ATOM 542 C ALA A 38 1.581 -7.662 7.635 1.00 0.00 C ATOM 543 O ALA A 38 2.320 -8.061 6.734 1.00 0.00 O ATOM 544 CB ALA A 38 2.198 -7.948 10.041 1.00 0.00 C ATOM 0 H ALA A 38 0.860 -5.876 10.098 1.00 0.00 H new ATOM 0 HA ALA A 38 3.170 -6.657 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.782 -8.826 9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.660 -7.462 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.184 -8.253 10.299 1.00 0.00 H new ATOM 550 N LEU A 39 0.259 -7.795 7.598 1.00 0.00 N ATOM 551 CA LEU A 39 -0.414 -8.433 6.471 1.00 0.00 C ATOM 552 C LEU A 39 -0.300 -7.578 5.213 1.00 0.00 C ATOM 553 O LEU A 39 0.270 -8.005 4.209 1.00 0.00 O ATOM 554 CB LEU A 39 -1.887 -8.677 6.804 1.00 0.00 C ATOM 555 CG LEU A 39 -2.657 -9.567 5.827 1.00 0.00 C ATOM 556 CD1 LEU A 39 -3.156 -8.753 4.644 1.00 0.00 C ATOM 557 CD2 LEU A 39 -1.783 -10.720 5.354 1.00 0.00 C ATOM 0 H LEU A 39 -0.367 -7.470 8.334 1.00 0.00 H new ATOM 0 HA LEU A 39 0.073 -9.390 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.945 -9.125 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.391 -7.712 6.860 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.521 -9.982 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.701 -9.403 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.818 -7.963 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.307 -8.309 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.347 -11.343 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.900 -10.325 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.476 -11.319 6.211 1.00 0.00 H new ATOM 569 N PHE A 40 -0.843 -6.366 5.276 1.00 0.00 N ATOM 570 CA PHE A 40 -0.801 -5.450 4.143 1.00 0.00 C ATOM 571 C PHE A 40 0.608 -5.367 3.562 1.00 0.00 C ATOM 572 O PHE A 40 0.787 -5.303 2.346 1.00 0.00 O ATOM 573 CB PHE A 40 -1.272 -4.058 4.568 1.00 0.00 C ATOM 574 CG PHE A 40 -1.037 -3.001 3.527 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.251 -2.612 3.194 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.103 -2.398 2.880 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.470 -1.640 2.236 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.891 -1.425 1.921 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.602 -1.046 1.599 1.00 0.00 C ATOM 0 H PHE A 40 -1.317 -5.996 6.100 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.470 -5.833 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.336 -4.098 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.757 -3.774 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.093 -3.074 3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.112 -2.692 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.478 -1.345 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.731 -0.962 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.433 -0.286 0.850 1.00 0.00 H new ATOM 589 N ALA A 41 1.605 -5.368 4.441 1.00 0.00 N ATOM 590 CA ALA A 41 2.997 -5.294 4.017 1.00 0.00 C ATOM 591 C ALA A 41 3.492 -6.649 3.521 1.00 0.00 C ATOM 592 O ALA A 41 4.465 -6.729 2.770 1.00 0.00 O ATOM 593 CB ALA A 41 3.871 -4.796 5.158 1.00 0.00 C ATOM 0 H ALA A 41 1.474 -5.419 5.451 1.00 0.00 H new ATOM 0 HA ALA A 41 3.062 -4.587 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.908 -4.746 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.539 -3.804 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.793 -5.481 6.002 1.00 0.00 H new ATOM 599 N LYS A 42 2.818 -7.712 3.947 1.00 0.00 N ATOM 600 CA LYS A 42 3.189 -9.064 3.547 1.00 0.00 C ATOM 601 C LYS A 42 2.603 -9.407 2.181 1.00 0.00 C ATOM 602 O LYS A 42 3.142 -10.242 1.455 1.00 0.00 O ATOM 603 CB LYS A 42 2.708 -10.076 4.589 1.00 0.00 C ATOM 604 CG LYS A 42 3.191 -11.493 4.329 1.00 0.00 C ATOM 605 CD LYS A 42 2.243 -12.245 3.411 1.00 0.00 C ATOM 606 CE LYS A 42 2.968 -13.329 2.628 1.00 0.00 C ATOM 607 NZ LYS A 42 3.397 -14.454 3.505 1.00 0.00 N ATOM 0 H LYS A 42 2.012 -7.663 4.570 1.00 0.00 H new ATOM 0 HA LYS A 42 4.276 -9.111 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.049 -9.760 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.618 -10.071 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.185 -11.463 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.283 -12.027 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.443 -12.694 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.775 -11.546 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.314 -13.709 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.840 -12.899 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.974 -15.122 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.958 -14.082 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.558 -14.945 3.875 1.00 0.00 H new ATOM 621 N VAL A 43 1.497 -8.755 1.836 1.00 0.00 N ATOM 622 CA VAL A 43 0.839 -8.990 0.556 1.00 0.00 C ATOM 623 C VAL A 43 1.152 -7.874 -0.435 1.00 0.00 C ATOM 624 O VAL A 43 0.994 -8.041 -1.644 1.00 0.00 O ATOM 625 CB VAL A 43 -0.688 -9.101 0.722 1.00 0.00 C ATOM 626 CG1 VAL A 43 -1.044 -10.279 1.615 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.258 -7.806 1.281 1.00 0.00 C ATOM 0 H VAL A 43 1.038 -8.060 2.425 1.00 0.00 H new ATOM 0 HA VAL A 43 1.224 -9.934 0.170 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.131 -9.273 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.127 -10.341 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.669 -11.200 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.591 -10.141 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.338 -7.902 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.810 -7.601 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.035 -6.986 0.599 1.00 0.00 H new ATOM 637 N ALA A 44 1.597 -6.735 0.086 1.00 0.00 N ATOM 638 CA ALA A 44 1.935 -5.592 -0.753 1.00 0.00 C ATOM 639 C ALA A 44 3.415 -5.601 -1.123 1.00 0.00 C ATOM 640 O ALA A 44 3.770 -5.718 -2.295 1.00 0.00 O ATOM 641 CB ALA A 44 1.574 -4.294 -0.047 1.00 0.00 C ATOM 0 H ALA A 44 1.732 -6.579 1.085 1.00 0.00 H new ATOM 0 HA ALA A 44 1.356 -5.665 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.832 -3.449 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.504 -4.278 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.127 -4.223 0.890 1.00 0.00 H new ATOM 647 N ALA A 45 4.273 -5.476 -0.115 1.00 0.00 N ATOM 648 CA ALA A 45 5.713 -5.471 -0.335 1.00 0.00 C ATOM 649 C ALA A 45 6.344 -6.780 0.129 1.00 0.00 C ATOM 650 O ALA A 45 7.538 -7.007 -0.063 1.00 0.00 O ATOM 651 CB ALA A 45 6.353 -4.291 0.381 1.00 0.00 C ATOM 0 H ALA A 45 3.995 -5.377 0.861 1.00 0.00 H new ATOM 0 HA ALA A 45 5.891 -5.372 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.429 -4.300 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.932 -3.361 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.157 -4.365 1.451 1.00 0.00 H new ATOM 657 N ASN A 46 5.534 -7.637 0.743 1.00 0.00 N ATOM 658 CA ASN A 46 6.014 -8.922 1.236 1.00 0.00 C ATOM 659 C ASN A 46 7.097 -8.729 2.294 1.00 0.00 C ATOM 660 O ASN A 46 7.940 -9.602 2.502 1.00 0.00 O ATOM 661 CB ASN A 46 6.559 -9.764 0.081 1.00 0.00 C ATOM 662 CG ASN A 46 6.752 -11.218 0.466 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.074 -11.731 1.357 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.679 -11.890 -0.206 1.00 0.00 N ATOM 0 H ASN A 46 4.543 -7.464 0.911 1.00 0.00 H new ATOM 0 HA ASN A 46 5.173 -9.444 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.874 -9.703 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.511 -9.349 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.853 -12.872 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.217 -11.424 -0.937 1.00 0.00 H new ATOM 671 N LYS A 47 7.067 -7.580 2.960 1.00 0.00 N ATOM 672 CA LYS A 47 8.043 -7.271 3.998 1.00 0.00 C ATOM 673 C LYS A 47 7.481 -7.579 5.382 1.00 0.00 C ATOM 674 O LYS A 47 6.352 -8.051 5.513 1.00 0.00 O ATOM 675 CB LYS A 47 8.454 -5.799 3.919 1.00 0.00 C ATOM 676 CG LYS A 47 9.601 -5.539 2.958 1.00 0.00 C ATOM 677 CD LYS A 47 10.948 -5.662 3.651 1.00 0.00 C ATOM 678 CE LYS A 47 11.987 -4.752 3.014 1.00 0.00 C ATOM 679 NZ LYS A 47 13.277 -4.775 3.758 1.00 0.00 N ATOM 0 H LYS A 47 6.377 -6.847 2.799 1.00 0.00 H new ATOM 0 HA LYS A 47 8.921 -7.896 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.592 -5.206 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.739 -5.456 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.551 -6.246 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.500 -4.541 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.840 -5.410 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.290 -6.696 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.157 -5.062 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.605 -3.732 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.958 -4.142 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.120 -4.455 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.655 -5.744 3.767 1.00 0.00 H new ATOM 693 N SER A 48 8.276 -7.307 6.413 1.00 0.00 N ATOM 694 CA SER A 48 7.858 -7.557 7.787 1.00 0.00 C ATOM 695 C SER A 48 7.188 -6.323 8.384 1.00 0.00 C ATOM 696 O SER A 48 7.581 -5.192 8.100 1.00 0.00 O ATOM 697 CB SER A 48 9.060 -7.962 8.642 1.00 0.00 C ATOM 698 OG SER A 48 9.908 -6.854 8.888 1.00 0.00 O ATOM 0 H SER A 48 9.213 -6.914 6.322 1.00 0.00 H new ATOM 0 HA SER A 48 7.136 -8.373 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.714 -8.376 9.589 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.621 -8.748 8.137 1.00 0.00 H new ATOM 0 HG SER A 48 10.667 -7.139 9.438 1.00 0.00 H new ATOM 704 N GLN A 49 6.174 -6.550 9.213 1.00 0.00 N ATOM 705 CA GLN A 49 5.448 -5.458 9.850 1.00 0.00 C ATOM 706 C GLN A 49 6.389 -4.309 10.197 1.00 0.00 C ATOM 707 O GLN A 49 6.145 -3.161 9.830 1.00 0.00 O ATOM 708 CB GLN A 49 4.742 -5.954 11.113 1.00 0.00 C ATOM 709 CG GLN A 49 3.574 -5.080 11.540 1.00 0.00 C ATOM 710 CD GLN A 49 2.863 -5.615 12.767 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.034 -6.776 13.142 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.059 -4.770 13.402 1.00 0.00 N ATOM 0 H GLN A 49 5.837 -7.481 9.459 1.00 0.00 H new ATOM 0 HA GLN A 49 4.701 -5.092 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.383 -6.969 10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.465 -6.004 11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.935 -4.072 11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.863 -5.003 10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.946 -3.817 13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.554 -5.074 14.235 1.00 0.00 H new ATOM 721 N GLY A 50 7.466 -4.627 10.909 1.00 0.00 N ATOM 722 CA GLY A 50 8.428 -3.611 11.294 1.00 0.00 C ATOM 723 C GLY A 50 8.767 -2.671 10.154 1.00 0.00 C ATOM 724 O GLY A 50 8.858 -1.459 10.347 1.00 0.00 O ATOM 0 H GLY A 50 7.689 -5.570 11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.029 -3.035 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.340 -4.093 11.646 1.00 0.00 H new ATOM 728 N TRP A 51 8.955 -3.231 8.965 1.00 0.00 N ATOM 729 CA TRP A 51 9.288 -2.434 7.790 1.00 0.00 C ATOM 730 C TRP A 51 8.128 -1.523 7.403 1.00 0.00 C ATOM 731 O TRP A 51 8.333 -0.439 6.856 1.00 0.00 O ATOM 732 CB TRP A 51 9.651 -3.345 6.616 1.00 0.00 C ATOM 733 CG TRP A 51 9.984 -2.595 5.362 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.230 -2.260 4.914 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.058 -2.085 4.397 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.134 -1.573 3.728 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.812 -1.453 3.389 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.665 -2.102 4.285 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.219 -0.844 2.287 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.078 -1.497 3.190 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.853 -0.875 2.202 1.00 0.00 C ATOM 0 H TRP A 51 8.883 -4.233 8.789 1.00 0.00 H new ATOM 0 HA TRP A 51 10.148 -1.811 8.037 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.502 -3.965 6.897 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.818 -4.019 6.417 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.155 -2.500 5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.920 -1.211 3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.058 -2.579 5.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.816 -0.364 1.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.002 -1.504 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.364 -0.412 1.358 1.00 0.00 H new ATOM 752 N LEU A 52 6.910 -1.969 7.690 1.00 0.00 N ATOM 753 CA LEU A 52 5.717 -1.193 7.372 1.00 0.00 C ATOM 754 C LEU A 52 5.447 -0.144 8.446 1.00 0.00 C ATOM 755 O LEU A 52 5.399 1.053 8.160 1.00 0.00 O ATOM 756 CB LEU A 52 4.506 -2.118 7.232 1.00 0.00 C ATOM 757 CG LEU A 52 3.251 -1.492 6.622 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.692 -0.416 7.540 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.555 -0.918 5.247 1.00 0.00 C ATOM 0 H LEU A 52 6.723 -2.864 8.142 1.00 0.00 H new ATOM 0 HA LEU A 52 5.888 -0.681 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.795 -2.973 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.252 -2.504 8.219 1.00 0.00 H new ATOM 0 HG LEU A 52 2.498 -2.272 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.799 0.018 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.435 -0.857 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.441 0.363 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.650 -0.477 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.325 -0.152 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.908 -1.713 4.591 1.00 0.00 H new ATOM 771 N CYS A 53 5.275 -0.601 9.682 1.00 0.00 N ATOM 772 CA CYS A 53 5.012 0.299 10.800 1.00 0.00 C ATOM 773 C CYS A 53 5.880 1.550 10.706 1.00 0.00 C ATOM 774 O CYS A 53 5.377 2.671 10.765 1.00 0.00 O ATOM 775 CB CYS A 53 5.267 -0.416 12.127 1.00 0.00 C ATOM 776 SG CYS A 53 4.343 0.267 13.523 1.00 0.00 S ATOM 0 H CYS A 53 5.313 -1.588 9.935 1.00 0.00 H new ATOM 0 HA CYS A 53 3.966 0.601 10.754 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.010 -1.469 12.015 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.332 -0.370 12.353 1.00 0.00 H new ATOM 0 HG CYS A 53 4.623 -0.405 14.600 1.00 0.00 H new ATOM 782 N GLU A 54 7.186 1.348 10.562 1.00 0.00 N ATOM 783 CA GLU A 54 8.123 2.461 10.463 1.00 0.00 C ATOM 784 C GLU A 54 7.672 3.460 9.402 1.00 0.00 C ATOM 785 O GLU A 54 7.507 4.648 9.681 1.00 0.00 O ATOM 786 CB GLU A 54 9.526 1.947 10.133 1.00 0.00 C ATOM 787 CG GLU A 54 10.114 1.049 11.208 1.00 0.00 C ATOM 788 CD GLU A 54 11.337 0.290 10.729 1.00 0.00 C ATOM 789 OE1 GLU A 54 12.451 0.848 10.811 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.179 -0.862 10.274 1.00 0.00 O ATOM 0 H GLU A 54 7.619 0.426 10.511 1.00 0.00 H new ATOM 0 HA GLU A 54 8.147 2.969 11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.490 1.398 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.189 2.799 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.382 1.653 12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.356 0.338 11.537 1.00 0.00 H new ATOM 797 N LEU A 55 7.476 2.970 8.183 1.00 0.00 N ATOM 798 CA LEU A 55 7.044 3.819 7.078 1.00 0.00 C ATOM 799 C LEU A 55 5.961 4.793 7.530 1.00 0.00 C ATOM 800 O LEU A 55 6.000 5.979 7.200 1.00 0.00 O ATOM 801 CB LEU A 55 6.525 2.961 5.922 1.00 0.00 C ATOM 802 CG LEU A 55 7.563 2.538 4.882 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.918 2.321 5.537 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.110 1.277 4.160 1.00 0.00 C ATOM 0 H LEU A 55 7.609 1.990 7.935 1.00 0.00 H new ATOM 0 HA LEU A 55 7.904 4.395 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.070 2.062 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.734 3.512 5.413 1.00 0.00 H new ATOM 0 HG LEU A 55 7.661 3.338 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.644 2.020 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.247 3.247 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.836 1.539 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.860 0.990 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.983 0.470 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.162 1.466 3.657 1.00 0.00 H new ATOM 816 N LEU A 56 4.995 4.285 8.288 1.00 0.00 N ATOM 817 CA LEU A 56 3.901 5.110 8.788 1.00 0.00 C ATOM 818 C LEU A 56 4.370 5.998 9.936 1.00 0.00 C ATOM 819 O LEU A 56 3.789 7.052 10.196 1.00 0.00 O ATOM 820 CB LEU A 56 2.741 4.228 9.251 1.00 0.00 C ATOM 821 CG LEU A 56 2.380 3.057 8.336 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.158 2.323 8.864 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.138 3.547 6.915 1.00 0.00 C ATOM 0 H LEU A 56 4.947 3.306 8.570 1.00 0.00 H new ATOM 0 HA LEU A 56 3.560 5.750 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.984 3.831 10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.858 4.856 9.369 1.00 0.00 H new ATOM 0 HG LEU A 56 3.218 2.360 8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.917 1.493 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.367 1.939 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.313 3.009 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.882 2.701 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.318 4.265 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.041 4.027 6.537 1.00 0.00 H new ATOM 835 N ARG A 57 5.425 5.566 10.619 1.00 0.00 N ATOM 836 CA ARG A 57 5.972 6.322 11.739 1.00 0.00 C ATOM 837 C ARG A 57 6.799 7.505 11.243 1.00 0.00 C ATOM 838 O ARG A 57 6.508 8.657 11.566 1.00 0.00 O ATOM 839 CB ARG A 57 6.835 5.417 12.620 1.00 0.00 C ATOM 840 CG ARG A 57 7.672 6.176 13.637 1.00 0.00 C ATOM 841 CD ARG A 57 8.437 5.227 14.547 1.00 0.00 C ATOM 842 NE ARG A 57 8.653 5.798 15.874 1.00 0.00 N ATOM 843 CZ ARG A 57 8.894 5.068 16.958 1.00 0.00 C ATOM 844 NH1 ARG A 57 8.949 3.746 16.872 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.081 5.660 18.130 1.00 0.00 N ATOM 0 H ARG A 57 5.918 4.696 10.416 1.00 0.00 H new ATOM 0 HA ARG A 57 5.139 6.704 12.329 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.190 4.713 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.497 4.829 11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.374 6.829 13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.025 6.816 14.237 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.886 4.291 14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.399 4.987 14.094 1.00 0.00 H new ATOM 0 HE ARG A 57 8.617 6.812 15.974 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.806 3.287 15.972 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.134 3.188 17.705 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.040 6.677 18.200 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.266 5.099 18.961 1.00 0.00 H new ATOM 859 N TRP A 58 7.830 7.213 10.459 1.00 0.00 N ATOM 860 CA TRP A 58 8.699 8.252 9.919 1.00 0.00 C ATOM 861 C TRP A 58 8.037 8.959 8.742 1.00 0.00 C ATOM 862 O TRP A 58 8.043 10.187 8.658 1.00 0.00 O ATOM 863 CB TRP A 58 10.037 7.652 9.483 1.00 0.00 C ATOM 864 CG TRP A 58 10.711 6.858 10.561 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.575 5.521 10.801 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.625 7.353 11.545 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.349 5.154 11.875 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.004 6.260 12.349 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.163 8.613 11.824 1.00 0.00 C ATOM 870 CZ2 TRP A 58 12.894 6.391 13.412 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.045 8.741 12.880 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.404 7.636 13.663 1.00 0.00 C ATOM 0 H TRP A 58 8.085 6.265 10.183 1.00 0.00 H new ATOM 0 HA TRP A 58 8.877 8.986 10.705 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.874 7.011 8.617 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.701 8.456 9.164 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.950 4.850 10.230 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.424 4.211 12.257 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.894 9.471 11.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.172 5.540 14.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.465 9.710 13.106 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.097 7.769 14.481 1.00 0.00 H new ATOM 883 N LYS A 59 7.466 8.176 7.833 1.00 0.00 N ATOM 884 CA LYS A 59 6.797 8.726 6.660 1.00 0.00 C ATOM 885 C LYS A 59 7.727 9.659 5.891 1.00 0.00 C ATOM 886 O LYS A 59 7.345 10.772 5.532 1.00 0.00 O ATOM 887 CB LYS A 59 5.531 9.479 7.075 1.00 0.00 C ATOM 888 CG LYS A 59 4.470 8.588 7.696 1.00 0.00 C ATOM 889 CD LYS A 59 3.118 9.281 7.744 1.00 0.00 C ATOM 890 CE LYS A 59 1.981 8.277 7.858 1.00 0.00 C ATOM 891 NZ LYS A 59 1.648 7.973 9.277 1.00 0.00 N ATOM 0 H LYS A 59 7.453 7.157 7.886 1.00 0.00 H new ATOM 0 HA LYS A 59 6.522 7.897 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.800 10.260 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.110 9.975 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.387 7.665 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.773 8.309 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.088 9.964 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.984 9.883 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.098 8.670 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.257 7.356 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.271 7.006 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.506 8.053 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.934 8.648 9.618 1.00 0.00 H new ATOM 905 N GLU A 60 8.948 9.196 5.641 1.00 0.00 N ATOM 906 CA GLU A 60 9.931 9.991 4.914 1.00 0.00 C ATOM 907 C GLU A 60 9.348 10.512 3.604 1.00 0.00 C ATOM 908 O GLU A 60 8.164 10.333 3.325 1.00 0.00 O ATOM 909 CB GLU A 60 11.184 9.159 4.633 1.00 0.00 C ATOM 910 CG GLU A 60 12.287 9.353 5.659 1.00 0.00 C ATOM 911 CD GLU A 60 13.096 8.091 5.892 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.500 6.994 5.882 1.00 0.00 O ATOM 913 OE2 GLU A 60 14.325 8.202 6.085 1.00 0.00 O ATOM 0 H GLU A 60 9.280 8.276 5.931 1.00 0.00 H new ATOM 0 HA GLU A 60 10.202 10.845 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.910 8.104 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.568 9.418 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.952 10.150 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.848 9.678 6.602 1.00 0.00 H new ATOM 920 N ASN A 61 10.190 11.159 2.805 1.00 0.00 N ATOM 921 CA ASN A 61 9.759 11.708 1.524 1.00 0.00 C ATOM 922 C ASN A 61 10.166 10.791 0.375 1.00 0.00 C ATOM 923 O ASN A 61 11.348 10.587 0.099 1.00 0.00 O ATOM 924 CB ASN A 61 10.356 13.102 1.316 1.00 0.00 C ATOM 925 CG ASN A 61 10.590 13.417 -0.149 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.649 13.481 -0.940 1.00 0.00 O ATOM 927 ND2 ASN A 61 11.851 13.617 -0.516 1.00 0.00 N ATOM 0 H ASN A 61 11.174 11.316 3.022 1.00 0.00 H new ATOM 0 HA ASN A 61 8.672 11.784 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.686 13.849 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.300 13.174 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 61 12.071 13.834 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.599 13.554 0.174 1.00 0.00 H new ATOM 934 N PRO A 62 9.164 10.226 -0.314 1.00 0.00 N ATOM 935 CA PRO A 62 9.392 9.322 -1.446 1.00 0.00 C ATOM 936 C PRO A 62 9.949 10.049 -2.665 1.00 0.00 C ATOM 937 O PRO A 62 9.569 11.185 -2.950 1.00 0.00 O ATOM 938 CB PRO A 62 7.996 8.769 -1.745 1.00 0.00 C ATOM 939 CG PRO A 62 7.059 9.811 -1.239 1.00 0.00 C ATOM 940 CD PRO A 62 7.730 10.424 -0.041 1.00 0.00 C ATOM 0 HA PRO A 62 10.129 8.554 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.858 8.598 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.833 7.814 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.862 10.563 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.098 9.373 -0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.483 11.481 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.426 9.934 0.884 1.00 0.00 H new ATOM 948 N SER A 63 10.852 9.388 -3.381 1.00 0.00 N ATOM 949 CA SER A 63 11.465 9.973 -4.568 1.00 0.00 C ATOM 950 C SER A 63 12.146 8.901 -5.413 1.00 0.00 C ATOM 951 O SER A 63 12.499 7.825 -4.929 1.00 0.00 O ATOM 952 CB SER A 63 12.480 11.045 -4.168 1.00 0.00 C ATOM 953 OG SER A 63 11.867 12.319 -4.076 1.00 0.00 O ATOM 0 H SER A 63 11.176 8.446 -3.160 1.00 0.00 H new ATOM 0 HA SER A 63 10.677 10.433 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.930 10.785 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.286 11.078 -4.901 1.00 0.00 H new ATOM 0 HG SER A 63 10.979 12.226 -3.671 1.00 0.00 H new ATOM 959 N PRO A 64 12.336 9.200 -6.706 1.00 0.00 N ATOM 960 CA PRO A 64 12.977 8.276 -7.647 1.00 0.00 C ATOM 961 C PRO A 64 14.466 8.104 -7.366 1.00 0.00 C ATOM 962 O PRO A 64 15.157 7.366 -8.068 1.00 0.00 O ATOM 963 CB PRO A 64 12.763 8.947 -9.005 1.00 0.00 C ATOM 964 CG PRO A 64 12.615 10.396 -8.693 1.00 0.00 C ATOM 965 CD PRO A 64 11.941 10.464 -7.350 1.00 0.00 C ATOM 0 HA PRO A 64 12.558 7.272 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.607 8.770 -9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.876 8.557 -9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.586 10.891 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.020 10.900 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.275 11.329 -6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.858 10.544 -7.447 1.00 0.00 H new ATOM 973 N GLU A 65 14.953 8.790 -6.337 1.00 0.00 N ATOM 974 CA GLU A 65 16.361 8.712 -5.965 1.00 0.00 C ATOM 975 C GLU A 65 16.601 7.575 -4.976 1.00 0.00 C ATOM 976 O GLU A 65 17.612 6.878 -5.047 1.00 0.00 O ATOM 977 CB GLU A 65 16.825 10.037 -5.358 1.00 0.00 C ATOM 978 CG GLU A 65 17.134 11.106 -6.393 1.00 0.00 C ATOM 979 CD GLU A 65 18.169 12.104 -5.912 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.376 11.830 -6.074 1.00 0.00 O ATOM 981 OE2 GLU A 65 17.771 13.158 -5.372 1.00 0.00 O ATOM 0 H GLU A 65 14.394 9.406 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 65 16.938 8.512 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.053 10.408 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.715 9.859 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.491 10.630 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.216 11.635 -6.648 1.00 0.00 H new ATOM 988 N ASN A 66 15.662 7.395 -4.052 1.00 0.00 N ATOM 989 CA ASN A 66 15.771 6.345 -3.046 1.00 0.00 C ATOM 990 C ASN A 66 15.296 5.007 -3.604 1.00 0.00 C ATOM 991 O ASN A 66 14.104 4.811 -3.844 1.00 0.00 O ATOM 992 CB ASN A 66 14.955 6.711 -1.805 1.00 0.00 C ATOM 993 CG ASN A 66 15.403 5.950 -0.572 1.00 0.00 C ATOM 994 OD1 ASN A 66 15.986 4.870 -0.674 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.133 6.511 0.600 1.00 0.00 N ATOM 0 H ASN A 66 14.818 7.963 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 66 16.821 6.251 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.042 7.782 -1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.901 6.505 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.411 6.046 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.648 7.407 0.637 1.00 0.00 H new ATOM 1002 N ARG A 67 16.235 4.089 -3.807 1.00 0.00 N ATOM 1003 CA ARG A 67 15.913 2.770 -4.337 1.00 0.00 C ATOM 1004 C ARG A 67 15.160 1.938 -3.304 1.00 0.00 C ATOM 1005 O ARG A 67 13.967 1.670 -3.455 1.00 0.00 O ATOM 1006 CB ARG A 67 17.190 2.041 -4.761 1.00 0.00 C ATOM 1007 CG ARG A 67 17.710 2.468 -6.125 1.00 0.00 C ATOM 1008 CD ARG A 67 17.128 1.609 -7.236 1.00 0.00 C ATOM 1009 NE ARG A 67 17.954 0.437 -7.512 1.00 0.00 N ATOM 1010 CZ ARG A 67 17.918 -0.235 -8.658 1.00 0.00 C ATOM 1011 NH1 ARG A 67 17.100 0.147 -9.629 1.00 0.00 N ATOM 1012 NH2 ARG A 67 18.701 -1.292 -8.834 1.00 0.00 N ATOM 0 H ARG A 67 17.226 4.235 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 67 15.272 2.903 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.964 2.218 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.999 0.968 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.457 3.513 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.798 2.396 -6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.124 1.288 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.031 2.206 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 67 18.594 0.116 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.496 0.959 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.074 -0.371 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.331 -1.589 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.672 -1.807 -9.714 1.00 0.00 H new ATOM 1026 N THR A 68 15.864 1.530 -2.252 1.00 0.00 N ATOM 1027 CA THR A 68 15.263 0.728 -1.194 1.00 0.00 C ATOM 1028 C THR A 68 13.870 1.236 -0.842 1.00 0.00 C ATOM 1029 O THR A 68 12.993 0.461 -0.459 1.00 0.00 O ATOM 1030 CB THR A 68 16.134 0.729 0.076 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.462 0.297 -0.240 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.539 -0.179 1.141 1.00 0.00 C ATOM 0 H THR A 68 16.852 1.742 -2.111 1.00 0.00 H new ATOM 0 HA THR A 68 15.189 -0.291 -1.574 1.00 0.00 H new ATOM 0 HB THR A 68 16.167 1.746 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.010 0.302 0.573 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.172 -0.162 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.540 0.171 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.478 -1.198 0.758 1.00 0.00 H new ATOM 1040 N LEU A 69 13.671 2.543 -0.974 1.00 0.00 N ATOM 1041 CA LEU A 69 12.383 3.156 -0.670 1.00 0.00 C ATOM 1042 C LEU A 69 11.478 3.159 -1.898 1.00 0.00 C ATOM 1043 O LEU A 69 10.463 2.464 -1.935 1.00 0.00 O ATOM 1044 CB LEU A 69 12.583 4.587 -0.166 1.00 0.00 C ATOM 1045 CG LEU A 69 11.551 5.093 0.843 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.452 4.143 2.026 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.908 6.496 1.311 1.00 0.00 C ATOM 0 H LEU A 69 14.386 3.199 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 69 11.903 2.566 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.571 4.656 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.581 5.257 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 69 10.578 5.132 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.713 4.519 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.150 3.156 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.422 4.072 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.163 6.841 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.890 6.483 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.927 7.171 0.455 1.00 0.00 H new ATOM 1059 N TRP A 70 11.854 3.944 -2.901 1.00 0.00 N ATOM 1060 CA TRP A 70 11.077 4.035 -4.133 1.00 0.00 C ATOM 1061 C TRP A 70 10.633 2.653 -4.599 1.00 0.00 C ATOM 1062 O TRP A 70 9.457 2.436 -4.892 1.00 0.00 O ATOM 1063 CB TRP A 70 11.898 4.717 -5.228 1.00 0.00 C ATOM 1064 CG TRP A 70 11.093 5.066 -6.443 1.00 0.00 C ATOM 1065 CD1 TRP A 70 11.016 4.355 -7.607 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.252 6.212 -6.614 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.178 4.991 -8.492 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.696 6.132 -7.906 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.914 7.297 -5.801 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.823 7.097 -8.401 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.047 8.254 -6.294 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.509 8.148 -7.584 1.00 0.00 C ATOM 0 H TRP A 70 12.691 4.526 -2.886 1.00 0.00 H new ATOM 0 HA TRP A 70 10.188 4.632 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.346 5.625 -4.824 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.717 4.060 -5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.537 3.429 -7.803 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.952 4.666 -9.432 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.323 7.386 -4.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.408 7.018 -9.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.780 9.098 -5.675 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.833 8.911 -7.940 1.00 0.00 H new ATOM 1083 N GLU A 71 11.579 1.722 -4.666 1.00 0.00 N ATOM 1084 CA GLU A 71 11.283 0.361 -5.097 1.00 0.00 C ATOM 1085 C GLU A 71 10.070 -0.193 -4.356 1.00 0.00 C ATOM 1086 O GLU A 71 9.004 -0.379 -4.940 1.00 0.00 O ATOM 1087 CB GLU A 71 12.493 -0.546 -4.867 1.00 0.00 C ATOM 1088 CG GLU A 71 13.671 -0.231 -5.774 1.00 0.00 C ATOM 1089 CD GLU A 71 14.512 -1.455 -6.084 1.00 0.00 C ATOM 1090 OE1 GLU A 71 13.930 -2.544 -6.269 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.752 -1.322 -6.142 1.00 0.00 O ATOM 0 H GLU A 71 12.557 1.885 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 71 11.055 0.387 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.811 -0.457 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.194 -1.583 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.303 0.198 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.297 0.525 -5.301 1.00 0.00 H new ATOM 1098 N ASN A 72 10.242 -0.454 -3.064 1.00 0.00 N ATOM 1099 CA ASN A 72 9.162 -0.988 -2.242 1.00 0.00 C ATOM 1100 C ASN A 72 7.897 -0.150 -2.395 1.00 0.00 C ATOM 1101 O ASN A 72 6.825 -0.674 -2.701 1.00 0.00 O ATOM 1102 CB ASN A 72 9.585 -1.030 -0.772 1.00 0.00 C ATOM 1103 CG ASN A 72 10.743 -1.980 -0.530 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.817 -3.051 -1.133 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.652 -1.590 0.356 1.00 0.00 N ATOM 0 H ASN A 72 11.118 -0.304 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 72 8.948 -2.002 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.867 -0.028 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.735 -1.334 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.453 -2.187 0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.549 -0.693 0.831 1.00 0.00 H new ATOM 1112 N LEU A 73 8.028 1.154 -2.180 1.00 0.00 N ATOM 1113 CA LEU A 73 6.895 2.066 -2.294 1.00 0.00 C ATOM 1114 C LEU A 73 6.239 1.951 -3.666 1.00 0.00 C ATOM 1115 O LEU A 73 5.092 2.358 -3.853 1.00 0.00 O ATOM 1116 CB LEU A 73 7.349 3.507 -2.052 1.00 0.00 C ATOM 1117 CG LEU A 73 7.536 3.916 -0.591 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.714 5.422 -0.476 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.355 3.451 0.248 1.00 0.00 C ATOM 0 H LEU A 73 8.907 1.604 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 73 6.161 1.791 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.293 3.662 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.619 4.178 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 73 8.438 3.435 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.846 5.694 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.592 5.729 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.832 5.924 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.505 3.751 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.439 3.903 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.274 2.365 0.192 1.00 0.00 H new ATOM 1131 N CYS A 74 6.974 1.391 -4.622 1.00 0.00 N ATOM 1132 CA CYS A 74 6.463 1.221 -5.977 1.00 0.00 C ATOM 1133 C CYS A 74 5.474 0.061 -6.043 1.00 0.00 C ATOM 1134 O CYS A 74 4.368 0.203 -6.567 1.00 0.00 O ATOM 1135 CB CYS A 74 7.616 0.980 -6.952 1.00 0.00 C ATOM 1136 SG CYS A 74 7.222 1.371 -8.673 1.00 0.00 S ATOM 0 H CYS A 74 7.924 1.048 -4.483 1.00 0.00 H new ATOM 0 HA CYS A 74 5.942 2.136 -6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.472 1.579 -6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.919 -0.065 -6.888 1.00 0.00 H new ATOM 0 HG CYS A 74 8.260 1.137 -9.420 1.00 0.00 H new ATOM 1142 N THR A 75 5.880 -1.087 -5.511 1.00 0.00 N ATOM 1143 CA THR A 75 5.031 -2.272 -5.512 1.00 0.00 C ATOM 1144 C THR A 75 3.769 -2.045 -4.687 1.00 0.00 C ATOM 1145 O THR A 75 2.683 -2.486 -5.064 1.00 0.00 O ATOM 1146 CB THR A 75 5.779 -3.499 -4.957 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.264 -4.696 -5.551 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.643 -3.578 -3.444 1.00 0.00 C ATOM 0 H THR A 75 6.792 -1.222 -5.074 1.00 0.00 H new ATOM 0 HA THR A 75 4.755 -2.462 -6.549 1.00 0.00 H new ATOM 0 HB THR A 75 6.835 -3.396 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.746 -5.471 -5.195 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.179 -4.452 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.063 -2.678 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.589 -3.660 -3.177 1.00 0.00 H new ATOM 1156 N ILE A 76 3.919 -1.356 -3.561 1.00 0.00 N ATOM 1157 CA ILE A 76 2.790 -1.069 -2.685 1.00 0.00 C ATOM 1158 C ILE A 76 1.819 -0.094 -3.341 1.00 0.00 C ATOM 1159 O ILE A 76 0.617 -0.128 -3.077 1.00 0.00 O ATOM 1160 CB ILE A 76 3.257 -0.484 -1.339 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.338 -1.372 -0.720 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.078 -0.335 -0.389 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.790 -0.908 0.648 1.00 0.00 C ATOM 0 H ILE A 76 4.811 -0.986 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 76 2.282 -2.016 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 76 3.682 0.504 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.959 -2.391 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.199 -1.402 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.424 0.080 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.338 0.334 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.626 -1.311 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.557 -1.584 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.199 0.100 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.940 -0.905 1.330 1.00 0.00 H new ATOM 1175 N ARG A 77 2.347 0.773 -4.199 1.00 0.00 N ATOM 1176 CA ARG A 77 1.527 1.757 -4.893 1.00 0.00 C ATOM 1177 C ARG A 77 0.583 1.078 -5.882 1.00 0.00 C ATOM 1178 O ARG A 77 -0.587 1.444 -5.989 1.00 0.00 O ATOM 1179 CB ARG A 77 2.414 2.764 -5.628 1.00 0.00 C ATOM 1180 CG ARG A 77 1.642 3.703 -6.541 1.00 0.00 C ATOM 1181 CD ARG A 77 0.947 4.801 -5.752 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.123 5.433 -6.520 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.622 6.631 -6.236 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -0.149 7.324 -5.209 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.595 7.140 -6.982 1.00 0.00 N ATOM 0 H ARG A 77 3.340 0.813 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 77 0.929 2.284 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.964 3.354 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.152 2.222 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.323 4.150 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.902 3.136 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.536 4.383 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.678 5.555 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.508 4.927 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.600 6.937 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.534 8.244 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.960 6.611 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.977 8.060 -6.763 1.00 0.00 H new ATOM 1199 N ARG A 78 1.101 0.088 -6.602 1.00 0.00 N ATOM 1200 CA ARG A 78 0.306 -0.641 -7.582 1.00 0.00 C ATOM 1201 C ARG A 78 -0.796 -1.445 -6.899 1.00 0.00 C ATOM 1202 O ARG A 78 -1.870 -1.651 -7.465 1.00 0.00 O ATOM 1203 CB ARG A 78 1.198 -1.573 -8.403 1.00 0.00 C ATOM 1204 CG ARG A 78 1.944 -0.870 -9.526 1.00 0.00 C ATOM 1205 CD ARG A 78 3.256 -1.570 -9.847 1.00 0.00 C ATOM 1206 NE ARG A 78 3.050 -2.792 -10.619 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.020 -3.421 -11.272 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.258 -2.946 -11.246 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.754 -4.528 -11.953 1.00 0.00 N ATOM 0 H ARG A 78 2.068 -0.227 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.158 0.086 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.921 -2.048 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.585 -2.368 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.318 -0.841 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.142 0.164 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.901 -0.892 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.775 -1.811 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 78 2.109 -3.184 -10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.467 -2.095 -10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.001 -3.431 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.803 -4.897 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.500 -5.010 -12.454 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.522 -1.897 -5.680 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.489 -2.680 -4.920 1.00 0.00 C ATOM 1225 C PHE A 79 -2.748 -1.865 -4.637 1.00 0.00 C ATOM 1226 O PHE A 79 -3.865 -2.320 -4.883 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.870 -3.157 -3.604 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.613 -4.298 -2.971 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.886 -4.112 -2.455 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.040 -5.557 -2.893 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.571 -5.161 -1.871 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.721 -6.610 -2.310 1.00 0.00 C ATOM 1233 CZ PHE A 79 -2.989 -6.411 -1.799 1.00 0.00 C ATOM 0 H PHE A 79 0.362 -1.735 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.766 -3.548 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.161 -3.461 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.837 -2.322 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.348 -3.137 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.050 -5.718 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.562 -5.003 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.262 -7.586 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.524 -7.232 -1.344 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.558 -0.657 -4.118 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.676 0.224 -3.801 1.00 0.00 C ATOM 1245 C LEU A 80 -4.486 0.549 -5.052 1.00 0.00 C ATOM 1246 O LEU A 80 -5.694 0.769 -4.981 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.168 1.516 -3.158 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.196 1.347 -1.990 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.562 2.681 -1.626 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.908 0.747 -0.787 1.00 0.00 C ATOM 0 H LEU A 80 -1.640 -0.265 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.325 -0.294 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.679 2.114 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.028 2.087 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.404 0.664 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.873 2.541 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.017 3.072 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.341 3.387 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.201 0.634 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.720 1.406 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.314 -0.229 -1.054 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.811 0.575 -6.197 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.468 0.872 -7.464 1.00 0.00 C ATOM 1264 C ASN A 81 -5.500 -0.199 -7.806 1.00 0.00 C ATOM 1265 O ASN A 81 -6.339 -0.010 -8.688 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.434 0.975 -8.587 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.904 2.386 -8.757 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.472 3.189 -9.498 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.811 2.694 -8.070 1.00 0.00 N ATOM 0 H ASN A 81 -2.810 0.394 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.982 1.828 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.604 0.301 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.884 0.643 -9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.408 3.628 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.374 1.996 -7.468 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.433 -1.323 -7.101 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.362 -2.425 -7.328 1.00 0.00 C ATOM 1278 C LEU A 82 -7.734 -2.111 -6.738 1.00 0.00 C ATOM 1279 O LEU A 82 -7.867 -1.337 -5.790 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.814 -3.714 -6.715 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.523 -4.254 -7.331 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -3.992 -5.424 -6.517 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.754 -4.669 -8.777 1.00 0.00 C ATOM 0 H LEU A 82 -4.745 -1.495 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.472 -2.560 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.642 -3.543 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.581 -4.485 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.777 -3.460 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.073 -5.795 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.787 -5.095 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.735 -6.221 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.824 -5.051 -9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.516 -5.447 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.087 -3.807 -9.354 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.779 -2.727 -7.310 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.159 -2.531 -6.856 1.00 0.00 C ATOM 1297 C PRO A 83 -10.413 -3.157 -5.489 1.00 0.00 C ATOM 1298 O PRO A 83 -9.815 -4.174 -5.141 1.00 0.00 O ATOM 1299 CB PRO A 83 -10.990 -3.238 -7.930 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.072 -4.260 -8.507 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.694 -3.662 -8.444 1.00 0.00 C ATOM 0 HA PRO A 83 -10.402 -1.475 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.879 -3.701 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.331 -2.537 -8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.120 -5.191 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.348 -4.497 -9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.932 -4.424 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.436 -3.148 -9.370 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.304 -2.541 -4.718 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.637 -3.039 -3.388 1.00 0.00 C ATOM 1311 C GLN A 84 -11.884 -4.544 -3.417 1.00 0.00 C ATOM 1312 O GLN A 84 -11.429 -5.275 -2.537 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.871 -2.317 -2.844 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.367 -2.875 -1.520 1.00 0.00 C ATOM 1315 CD GLN A 84 -12.287 -2.903 -0.457 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.311 -3.645 -0.567 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -12.457 -2.092 0.581 1.00 0.00 N ATOM 0 H GLN A 84 -11.808 -1.697 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.791 -2.841 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.637 -1.260 -2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.673 -2.381 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.204 -2.272 -1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.745 -3.885 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.282 -1.494 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.763 -2.067 1.328 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.610 -5.000 -4.433 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.918 -6.418 -4.575 1.00 0.00 C ATOM 1328 C HIS A 85 -11.641 -7.241 -4.715 1.00 0.00 C ATOM 1329 O HIS A 85 -11.600 -8.410 -4.332 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.820 -6.646 -5.789 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.065 -6.906 -7.056 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.839 -5.937 -8.010 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.480 -8.035 -7.523 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.151 -6.458 -9.010 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.919 -7.730 -8.738 1.00 0.00 N ATOM 0 H HIS A 85 -12.995 -4.408 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.441 -6.742 -3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.479 -7.491 -5.588 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.456 -5.772 -5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.459 -8.996 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.832 -5.934 -9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.406 -8.380 -9.334 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.601 -6.622 -5.265 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.323 -7.298 -5.456 1.00 0.00 C ATOM 1346 C GLU A 86 -8.541 -7.362 -4.147 1.00 0.00 C ATOM 1347 O GLU A 86 -8.334 -8.439 -3.587 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.495 -6.580 -6.523 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.721 -7.112 -7.929 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.879 -8.336 -8.232 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.660 -8.179 -8.453 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.440 -9.452 -8.248 1.00 0.00 O ATOM 0 H GLU A 86 -10.618 -5.654 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.526 -8.316 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.735 -5.517 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.438 -6.673 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.775 -7.361 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.490 -6.329 -8.651 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.108 -6.201 -3.666 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.347 -6.125 -2.425 1.00 0.00 C ATOM 1361 C ARG A 87 -7.941 -7.048 -1.365 1.00 0.00 C ATOM 1362 O ARG A 87 -7.219 -7.784 -0.693 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.321 -4.686 -1.906 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.161 -3.646 -3.003 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.622 -2.335 -2.454 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.099 -1.184 -3.216 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.263 -0.585 -2.991 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -9.065 -1.026 -2.032 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.628 0.457 -3.727 1.00 0.00 N ATOM 0 H ARG A 87 -8.271 -5.301 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.327 -6.448 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.244 -4.488 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.502 -4.580 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.486 -4.026 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.124 -3.472 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.921 -2.228 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.532 -2.355 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.506 -0.820 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.789 -1.827 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.958 -0.564 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.014 0.799 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.522 0.916 -3.553 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.261 -7.002 -1.221 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.953 -7.835 -0.243 1.00 0.00 C ATOM 1385 C ASP A 88 -9.643 -9.311 -0.470 1.00 0.00 C ATOM 1386 O ASP A 88 -9.499 -10.079 0.481 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.462 -7.600 -0.319 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.922 -6.487 0.601 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.363 -6.365 1.711 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.841 -5.737 0.211 1.00 0.00 O ATOM 0 H ASP A 88 -9.873 -6.397 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.599 -7.557 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.737 -7.356 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.984 -8.521 -0.059 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.541 -9.701 -1.737 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.248 -11.085 -2.090 1.00 0.00 C ATOM 1397 C VAL A 89 -7.836 -11.473 -1.666 1.00 0.00 C ATOM 1398 O VAL A 89 -7.627 -12.517 -1.047 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.402 -11.324 -3.603 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.111 -12.776 -3.948 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.795 -10.927 -4.066 1.00 0.00 C ATOM 0 H VAL A 89 -9.657 -9.078 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.968 -11.706 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.678 -10.700 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.225 -12.925 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.091 -13.022 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.808 -13.423 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.886 -11.103 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.538 -11.523 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.961 -9.870 -3.856 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.870 -10.625 -2.002 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.477 -10.879 -1.655 1.00 0.00 C ATOM 1413 C ILE A 90 -5.311 -11.070 -0.151 1.00 0.00 C ATOM 1414 O ILE A 90 -4.697 -12.038 0.298 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.563 -9.729 -2.118 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.620 -9.585 -3.640 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.133 -9.970 -1.656 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.260 -8.200 -4.130 1.00 0.00 C ATOM 0 H ILE A 90 -7.026 -9.757 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.186 -11.794 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.917 -8.800 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.941 -10.309 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.624 -9.833 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.499 -9.149 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.107 -10.028 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.767 -10.906 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.322 -8.171 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.954 -7.473 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.245 -7.956 -3.818 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.865 -10.143 0.622 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.778 -10.209 2.076 1.00 0.00 C ATOM 1432 C TYR A 91 -6.426 -11.486 2.603 1.00 0.00 C ATOM 1433 O TYR A 91 -5.849 -12.190 3.431 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.450 -8.986 2.704 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.970 -7.671 2.133 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.616 -7.365 2.086 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.871 -6.736 1.639 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.173 -6.164 1.566 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.437 -5.533 1.116 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.087 -5.252 1.081 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.650 -4.055 0.561 1.00 0.00 O ATOM 0 H TYR A 91 -6.379 -9.337 0.266 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.723 -10.218 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.528 -9.062 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.268 -8.994 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.897 -8.078 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.929 -6.953 1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.117 -5.941 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.151 -4.817 0.737 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.027 -4.226 -0.175 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.628 -11.776 2.116 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.354 -12.968 2.538 1.00 0.00 C ATOM 1453 C GLU A 92 -7.557 -14.231 2.225 1.00 0.00 C ATOM 1454 O GLU A 92 -7.234 -15.011 3.121 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.719 -13.031 1.849 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.693 -11.968 2.329 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.241 -12.261 3.712 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -10.447 -12.273 4.676 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.465 -12.479 3.831 1.00 0.00 O ATOM 0 H GLU A 92 -8.119 -11.203 1.430 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.500 -12.909 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.579 -12.924 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.156 -14.015 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.193 -11.000 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.520 -11.893 1.623 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.242 -14.425 0.948 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.483 -15.593 0.518 1.00 0.00 C ATOM 1468 C GLU A 93 -5.208 -15.747 1.341 1.00 0.00 C ATOM 1469 O GLU A 93 -4.872 -16.844 1.784 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.135 -15.483 -0.968 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.351 -15.435 -1.877 1.00 0.00 C ATOM 1472 CD GLU A 93 -8.038 -16.781 -2.005 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -8.169 -17.479 -0.977 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -8.444 -17.136 -3.131 1.00 0.00 O ATOM 0 H GLU A 93 -7.501 -13.789 0.194 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.103 -16.476 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.538 -14.585 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.514 -16.333 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.061 -14.704 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.047 -15.091 -2.866 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.501 -14.638 1.540 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.262 -14.650 2.308 1.00 0.00 C ATOM 1483 C GLU A 94 -3.532 -14.990 3.771 1.00 0.00 C ATOM 1484 O GLU A 94 -3.121 -16.041 4.261 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.561 -13.293 2.209 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.384 -13.146 3.158 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.205 -14.013 2.764 1.00 0.00 C ATOM 1488 OE1 GLU A 94 0.143 -14.032 1.565 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.370 -14.674 3.654 1.00 0.00 O ATOM 0 H GLU A 94 -4.765 -13.721 1.180 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.612 -15.418 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.213 -13.147 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.284 -12.504 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.070 -12.102 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.701 -13.408 4.167 1.00 0.00 H new