USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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 386 THR OG1 : rot 32:sc= 0.894 USER MOD Set 1.2: A 389 LYS NZ :NH3+ -167:sc= 0.639 (180deg=-0.194) USER MOD Set 2.1: A 342 TYR OH : rot 180:sc= 0.772 USER MOD Set 2.2: A 362 LYS NZ :NH3+ -172:sc= 0.877 (180deg=0) USER MOD Single : A 340 TYR OH : rot 30:sc= -1.42 USER MOD Single : A 343 GLN : amide:sc= 0.746 K(o=0.75,f=-0.69) USER MOD Single : A 346 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0653 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.703 K(o=0.7,f=-0.22) USER MOD Single : A 359 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0642) USER MOD Single : A 361 SER OG : rot 0:sc= -3.4! USER MOD Single : A 370 ASN : amide:sc= -0.247 K(o=-0.25,f=-3.3!) USER MOD Single : A 378 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -171:sc= 1.21 (180deg=0.873) USER MOD Single : A 381 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.58) USER MOD Single : A 387 TYR OH : rot -119:sc= 0.354 USER MOD Single : A 390 MET CE :methyl -110:sc= -3.19! (180deg=-5.54!) USER MOD Single : A 391 SER OG : rot -86:sc= 0.0939 USER MOD Single : A 396 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 397 TYR OH : rot -106:sc= -3.59! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ 150:sc= -0.464 (180deg=-1.09) USER MOD Single : A 401 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -1.95! C(o=-2!,f=-2.5!) USER MOD Single : A 416 MET CE :methyl -159:sc= -0.144 (180deg=-0.68) USER MOD Single : A 417 LYS NZ :NH3+ -170:sc= 1.8 (180deg=1.55) USER MOD Single : A 418 THR OG1 : rot -61:sc= 0.74 USER MOD Single : A 423 MET CE :methyl 157:sc= -0.239 (180deg=-0.972) USER MOD Single : A 424 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 427 THR OG1 : rot 100:sc= 0.317 USER MOD Single : A 432 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -4.56! K(o=-4.6!,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.311 7.184 -5.629 1.00 1.08 N ATOM 81 CA LEU A 336 -1.564 6.699 -4.487 1.00 0.60 C ATOM 82 C LEU A 336 -1.764 5.205 -4.275 1.00 0.50 C ATOM 83 O LEU A 336 -2.453 4.541 -5.053 1.00 0.62 O ATOM 84 CB LEU A 336 -2.013 7.461 -3.236 1.00 0.36 C ATOM 85 CG LEU A 336 -1.962 8.990 -3.339 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.466 9.634 -2.061 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.558 9.469 -3.637 1.00 0.39 C ATOM 0 HA LEU A 336 -0.504 6.867 -4.676 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.035 7.164 -2.999 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.388 7.150 -2.399 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.612 9.286 -4.162 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.420 10.719 -2.158 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.497 9.329 -1.882 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -1.843 9.318 -1.224 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.551 10.557 -3.705 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.112 9.151 -2.838 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.222 9.045 -4.583 1.00 0.39 H new ATOM 99 N LEU A 337 -1.165 4.694 -3.210 1.00 0.39 N ATOM 100 CA LEU A 337 -1.294 3.298 -2.828 1.00 0.30 C ATOM 101 C LEU A 337 -2.755 2.894 -2.729 1.00 0.26 C ATOM 102 O LEU A 337 -3.167 1.932 -3.373 1.00 0.25 O ATOM 103 CB LEU A 337 -0.576 3.057 -1.496 1.00 0.32 C ATOM 104 CG LEU A 337 -0.976 1.795 -0.729 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.603 0.542 -1.490 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.320 1.791 0.636 1.00 0.39 C ATOM 0 H LEU A 337 -0.573 5.240 -2.584 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.830 2.682 -3.598 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.496 3.015 -1.688 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.751 3.919 -0.852 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.060 1.802 -0.610 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -0.902 -0.335 -0.916 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.113 0.536 -2.453 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.475 0.521 -1.650 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.609 0.890 1.176 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.764 1.812 0.519 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.641 2.669 1.197 1.00 0.39 H new ATOM 118 N TRP A 338 -3.540 3.648 -1.954 1.00 0.25 N ATOM 119 CA TRP A 338 -4.951 3.318 -1.743 1.00 0.24 C ATOM 120 C TRP A 338 -5.722 3.264 -3.058 1.00 0.24 C ATOM 121 O TRP A 338 -6.724 2.564 -3.167 1.00 0.24 O ATOM 122 CB TRP A 338 -5.634 4.268 -0.739 1.00 0.24 C ATOM 123 CG TRP A 338 -5.418 5.739 -0.981 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.688 6.586 -0.205 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.952 6.537 -2.046 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.726 7.855 -0.722 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.493 7.852 -1.856 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.765 6.267 -3.141 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.825 8.890 -2.729 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.087 7.291 -4.002 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.620 8.588 -3.792 1.00 0.28 C ATOM 0 H TRP A 338 -3.224 4.486 -1.465 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.970 2.321 -1.304 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.706 4.070 -0.751 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.277 4.027 0.262 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.155 6.299 0.690 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.258 8.670 -0.326 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.138 5.268 -3.313 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.464 9.895 -2.567 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.714 7.086 -4.857 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.894 9.368 -4.486 1.00 0.28 H new ATOM 142 N ASP A 339 -5.250 3.997 -4.056 1.00 0.25 N ATOM 143 CA ASP A 339 -5.879 3.979 -5.368 1.00 0.27 C ATOM 144 C ASP A 339 -5.509 2.704 -6.092 1.00 0.26 C ATOM 145 O ASP A 339 -6.376 1.966 -6.553 1.00 0.33 O ATOM 146 CB ASP A 339 -5.460 5.198 -6.195 1.00 0.36 C ATOM 147 CG ASP A 339 -5.768 5.028 -7.673 1.00 1.00 C ATOM 148 OD1 ASP A 339 -6.955 5.131 -8.053 1.00 1.80 O ATOM 149 OD2 ASP A 339 -4.831 4.796 -8.461 1.00 1.19 O ATOM 0 H ASP A 339 -4.437 4.609 -3.983 1.00 0.25 H new ATOM 0 HA ASP A 339 -6.960 4.019 -5.235 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.974 6.083 -5.819 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.391 5.371 -6.067 1.00 0.36 H new ATOM 154 N TYR A 340 -4.213 2.436 -6.152 1.00 0.22 N ATOM 155 CA TYR A 340 -3.702 1.262 -6.833 1.00 0.20 C ATOM 156 C TYR A 340 -4.312 -0.017 -6.262 1.00 0.17 C ATOM 157 O TYR A 340 -4.765 -0.886 -7.006 1.00 0.17 O ATOM 158 CB TYR A 340 -2.179 1.204 -6.732 1.00 0.21 C ATOM 159 CG TYR A 340 -1.602 0.000 -7.416 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.385 0.000 -8.784 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.300 -1.147 -6.696 1.00 0.17 C ATOM 162 CE1 TYR A 340 -0.885 -1.113 -9.421 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.793 -2.263 -7.325 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.590 -2.240 -8.691 1.00 0.24 C ATOM 165 OH TYR A 340 -0.103 -3.350 -9.330 1.00 0.28 O ATOM 0 H TYR A 340 -3.493 3.023 -5.732 1.00 0.22 H new ATOM 0 HA TYR A 340 -3.985 1.338 -7.883 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.755 2.106 -7.173 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -1.888 1.195 -5.682 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.611 0.886 -9.359 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.464 -1.165 -5.629 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -0.725 -1.101 -10.489 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.556 -3.149 -6.754 1.00 0.18 H new ATOM 0 HH TYR A 340 0.407 -3.075 -10.120 1.00 0.28 H new ATOM 175 N VAL A 341 -4.324 -0.125 -4.940 1.00 0.17 N ATOM 176 CA VAL A 341 -4.878 -1.300 -4.276 1.00 0.15 C ATOM 177 C VAL A 341 -6.378 -1.420 -4.540 1.00 0.15 C ATOM 178 O VAL A 341 -6.898 -2.517 -4.744 1.00 0.15 O ATOM 179 CB VAL A 341 -4.587 -1.280 -2.755 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.974 0.042 -2.131 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.302 -2.412 -2.043 1.00 0.15 C ATOM 0 H VAL A 341 -3.957 0.585 -4.306 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.387 -2.178 -4.696 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.512 -1.415 -2.638 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.755 0.018 -1.063 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.406 0.846 -2.600 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.040 0.216 -2.279 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.078 -2.371 -0.977 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.377 -2.314 -2.192 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.966 -3.366 -2.448 1.00 0.15 H new ATOM 191 N TYR A 342 -7.056 -0.283 -4.572 1.00 0.17 N ATOM 192 CA TYR A 342 -8.486 -0.248 -4.848 1.00 0.17 C ATOM 193 C TYR A 342 -8.758 -0.714 -6.283 1.00 0.17 C ATOM 194 O TYR A 342 -9.785 -1.337 -6.558 1.00 0.18 O ATOM 195 CB TYR A 342 -9.017 1.172 -4.617 1.00 0.20 C ATOM 196 CG TYR A 342 -10.524 1.286 -4.507 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.208 0.753 -3.421 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.259 1.948 -5.482 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.580 0.873 -3.314 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.630 2.075 -5.380 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.287 1.537 -4.294 1.00 0.71 C ATOM 202 OH TYR A 342 -14.657 1.660 -4.187 1.00 0.92 O ATOM 0 H TYR A 342 -6.637 0.633 -4.409 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.006 -0.927 -4.172 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.571 1.566 -3.704 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.679 1.807 -5.436 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.658 0.237 -2.648 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.749 2.371 -6.335 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.097 0.448 -2.466 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.185 2.594 -6.148 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.002 2.156 -4.959 1.00 0.92 H new ATOM 212 N GLN A 343 -7.815 -0.423 -7.183 1.00 0.18 N ATOM 213 CA GLN A 343 -7.900 -0.869 -8.576 1.00 0.19 C ATOM 214 C GLN A 343 -7.892 -2.392 -8.656 1.00 0.18 C ATOM 215 O GLN A 343 -8.644 -2.986 -9.430 1.00 0.23 O ATOM 216 CB GLN A 343 -6.716 -0.344 -9.397 1.00 0.26 C ATOM 217 CG GLN A 343 -6.567 1.166 -9.411 1.00 0.71 C ATOM 218 CD GLN A 343 -7.697 1.874 -10.135 1.00 1.41 C ATOM 219 OE1 GLN A 343 -8.287 1.332 -11.073 1.00 2.07 O ATOM 220 NE2 GLN A 343 -7.994 3.097 -9.726 1.00 2.22 N ATOM 0 H GLN A 343 -6.980 0.122 -6.970 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.833 -0.476 -8.981 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -5.798 -0.781 -9.004 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.822 -0.694 -10.424 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.519 1.529 -8.384 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -5.621 1.426 -9.886 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -7.484 3.512 -8.946 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -8.733 3.625 -10.190 1.00 2.22 H new ATOM 229 N LEU A 344 -7.043 -3.012 -7.840 1.00 0.16 N ATOM 230 CA LEU A 344 -6.830 -4.451 -7.896 1.00 0.15 C ATOM 231 C LEU A 344 -8.068 -5.175 -7.400 1.00 0.17 C ATOM 232 O LEU A 344 -8.408 -6.260 -7.869 1.00 0.24 O ATOM 233 CB LEU A 344 -5.628 -4.853 -7.035 1.00 0.15 C ATOM 234 CG LEU A 344 -4.369 -3.997 -7.191 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.268 -4.534 -6.294 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.903 -3.944 -8.643 1.00 0.19 C ATOM 0 H LEU A 344 -6.489 -2.534 -7.129 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.632 -4.729 -8.931 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.932 -4.827 -5.989 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.371 -5.886 -7.267 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.610 -2.977 -6.890 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.374 -3.921 -6.409 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.598 -4.504 -5.255 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.041 -5.563 -6.573 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -3.007 -3.327 -8.715 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.678 -4.953 -8.990 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.690 -3.514 -9.262 1.00 0.19 H new ATOM 248 N LEU A 345 -8.734 -4.546 -6.445 1.00 0.18 N ATOM 249 CA LEU A 345 -9.935 -5.090 -5.839 1.00 0.20 C ATOM 250 C LEU A 345 -11.049 -5.272 -6.857 1.00 0.25 C ATOM 251 O LEU A 345 -11.798 -6.246 -6.807 1.00 0.36 O ATOM 252 CB LEU A 345 -10.409 -4.163 -4.723 1.00 0.17 C ATOM 253 CG LEU A 345 -9.515 -4.141 -3.496 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.864 -2.977 -2.588 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.626 -5.454 -2.748 1.00 0.15 C ATOM 0 H LEU A 345 -8.454 -3.640 -6.068 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.689 -6.072 -5.434 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.486 -3.150 -5.118 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.412 -4.464 -4.420 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.484 -4.010 -3.824 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.208 -2.985 -1.717 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.734 -2.041 -3.131 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.900 -3.067 -2.263 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -8.981 -5.428 -1.870 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.659 -5.608 -2.435 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.318 -6.271 -3.400 1.00 0.15 H new ATOM 267 N SER A 346 -11.158 -4.332 -7.780 1.00 0.28 N ATOM 268 CA SER A 346 -12.236 -4.347 -8.751 1.00 0.35 C ATOM 269 C SER A 346 -11.877 -5.158 -9.993 1.00 0.36 C ATOM 270 O SER A 346 -12.438 -4.936 -11.066 1.00 0.54 O ATOM 271 CB SER A 346 -12.609 -2.913 -9.134 1.00 0.46 C ATOM 272 OG SER A 346 -11.453 -2.130 -9.391 1.00 1.06 O ATOM 0 H SER A 346 -10.512 -3.549 -7.877 1.00 0.28 H new ATOM 0 HA SER A 346 -13.095 -4.834 -8.289 1.00 0.35 H new ATOM 0 HB2 SER A 346 -13.247 -2.925 -10.018 1.00 0.46 H new ATOM 0 HB3 SER A 346 -13.187 -2.458 -8.330 1.00 0.46 H new ATOM 0 HG SER A 346 -11.722 -1.220 -9.635 1.00 1.06 H new ATOM 278 N ASP A 347 -10.946 -6.093 -9.857 1.00 0.32 N ATOM 279 CA ASP A 347 -10.585 -6.952 -10.975 1.00 0.34 C ATOM 280 C ASP A 347 -10.332 -8.375 -10.500 1.00 0.34 C ATOM 281 O ASP A 347 -9.767 -8.598 -9.428 1.00 0.43 O ATOM 282 CB ASP A 347 -9.345 -6.422 -11.689 1.00 0.41 C ATOM 283 CG ASP A 347 -9.305 -6.853 -13.141 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.438 -8.061 -13.412 1.00 0.99 O ATOM 285 OD2 ASP A 347 -9.109 -5.989 -14.018 1.00 1.18 O ATOM 0 H ASP A 347 -10.433 -6.274 -8.994 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.420 -6.955 -11.675 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -9.330 -5.334 -11.632 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.451 -6.780 -11.179 1.00 0.41 H new ATOM 290 N SER A 348 -10.768 -9.332 -11.303 1.00 0.40 N ATOM 291 CA SER A 348 -10.624 -10.738 -10.987 1.00 0.43 C ATOM 292 C SER A 348 -9.194 -11.239 -11.196 1.00 0.35 C ATOM 293 O SER A 348 -8.850 -12.332 -10.744 1.00 0.40 O ATOM 294 CB SER A 348 -11.610 -11.545 -11.826 1.00 0.59 C ATOM 295 OG SER A 348 -11.643 -11.075 -13.164 1.00 0.79 O ATOM 0 H SER A 348 -11.232 -9.152 -12.193 1.00 0.40 H new ATOM 0 HA SER A 348 -10.845 -10.872 -9.928 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.327 -12.598 -11.813 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.606 -11.477 -11.388 1.00 0.59 H new ATOM 0 HG SER A 348 -12.281 -11.609 -13.683 1.00 0.79 H new ATOM 301 N ARG A 349 -8.366 -10.454 -11.886 1.00 0.34 N ATOM 302 CA ARG A 349 -6.970 -10.809 -12.088 1.00 0.37 C ATOM 303 C ARG A 349 -6.277 -11.033 -10.753 1.00 0.31 C ATOM 304 O ARG A 349 -5.669 -12.072 -10.504 1.00 0.42 O ATOM 305 CB ARG A 349 -6.236 -9.693 -12.806 1.00 0.45 C ATOM 306 CG ARG A 349 -6.895 -9.235 -14.083 1.00 0.71 C ATOM 307 CD ARG A 349 -5.966 -8.342 -14.863 1.00 1.07 C ATOM 308 NE ARG A 349 -6.581 -7.820 -16.083 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.915 -7.173 -17.040 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.600 -6.996 -16.939 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.564 -6.703 -18.100 1.00 3.43 N ATOM 0 H ARG A 349 -8.642 -9.570 -12.312 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.948 -11.722 -12.683 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -6.146 -8.841 -12.132 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.224 -10.028 -13.033 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.171 -10.099 -14.687 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.816 -8.700 -13.853 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.654 -7.509 -14.233 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -5.066 -8.899 -15.124 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.583 -7.960 -16.210 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -4.098 -7.356 -16.127 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -4.094 -6.501 -17.673 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.572 -6.837 -18.182 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -6.054 -6.208 -18.832 1.00 3.43 H new ATOM 325 N TYR A 350 -6.394 -10.038 -9.897 1.00 0.26 N ATOM 326 CA TYR A 350 -5.629 -9.987 -8.663 1.00 0.30 C ATOM 327 C TYR A 350 -6.347 -10.640 -7.490 1.00 0.24 C ATOM 328 O TYR A 350 -5.977 -10.397 -6.354 1.00 0.25 O ATOM 329 CB TYR A 350 -5.333 -8.533 -8.310 1.00 0.40 C ATOM 330 CG TYR A 350 -4.977 -7.706 -9.514 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.729 -7.812 -10.096 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.898 -6.839 -10.080 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.401 -7.075 -11.209 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.582 -6.098 -11.197 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.332 -6.217 -11.760 1.00 0.63 C ATOM 336 OH TYR A 350 -4.010 -5.478 -12.875 1.00 0.72 O ATOM 0 H TYR A 350 -7.019 -9.244 -10.034 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.710 -10.546 -8.837 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.204 -8.098 -7.820 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.512 -8.497 -7.594 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.999 -8.485 -9.670 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.879 -6.743 -9.638 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.420 -7.167 -11.650 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.311 -5.428 -11.628 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.777 -4.927 -13.135 1.00 0.72 H new ATOM 346 N GLU A 351 -7.341 -11.481 -7.746 1.00 0.22 N ATOM 347 CA GLU A 351 -8.137 -12.055 -6.655 1.00 0.23 C ATOM 348 C GLU A 351 -7.284 -12.915 -5.715 1.00 0.21 C ATOM 349 O GLU A 351 -7.570 -13.020 -4.524 1.00 0.25 O ATOM 350 CB GLU A 351 -9.302 -12.876 -7.203 1.00 0.31 C ATOM 351 CG GLU A 351 -8.880 -14.071 -8.033 1.00 0.36 C ATOM 352 CD GLU A 351 -10.065 -14.874 -8.517 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.825 -14.367 -9.367 1.00 1.22 O ATOM 354 OE2 GLU A 351 -10.258 -16.009 -8.038 1.00 1.45 O ATOM 0 H GLU A 351 -7.617 -11.781 -8.681 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.533 -11.220 -6.077 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.912 -13.224 -6.369 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.934 -12.229 -7.812 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.300 -13.730 -8.890 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -8.227 -14.711 -7.440 1.00 0.36 H new ATOM 361 N ASN A 352 -6.226 -13.512 -6.252 1.00 0.22 N ATOM 362 CA ASN A 352 -5.330 -14.344 -5.459 1.00 0.24 C ATOM 363 C ASN A 352 -4.253 -13.472 -4.815 1.00 0.19 C ATOM 364 O ASN A 352 -3.393 -13.951 -4.079 1.00 0.21 O ATOM 365 CB ASN A 352 -4.697 -15.423 -6.336 1.00 0.32 C ATOM 366 CG ASN A 352 -4.321 -16.688 -5.578 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.433 -17.792 -6.109 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.851 -16.548 -4.354 1.00 1.06 N ATOM 0 H ASN A 352 -5.968 -13.435 -7.236 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.900 -14.836 -4.671 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.392 -15.682 -7.135 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.804 -15.015 -6.810 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.568 -17.369 -3.819 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.770 -15.618 -3.942 1.00 1.06 H new ATOM 375 N PHE A 353 -4.305 -12.185 -5.115 1.00 0.16 N ATOM 376 CA PHE A 353 -3.419 -11.203 -4.504 1.00 0.14 C ATOM 377 C PHE A 353 -4.198 -10.408 -3.468 1.00 0.12 C ATOM 378 O PHE A 353 -3.727 -10.159 -2.360 1.00 0.11 O ATOM 379 CB PHE A 353 -2.858 -10.237 -5.555 1.00 0.16 C ATOM 380 CG PHE A 353 -1.991 -10.877 -6.603 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.548 -11.632 -7.624 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.617 -10.706 -6.577 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.751 -12.209 -8.592 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.185 -11.277 -7.546 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.383 -12.030 -8.555 1.00 0.29 C ATOM 0 H PHE A 353 -4.961 -11.790 -5.788 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.587 -11.731 -4.037 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.691 -9.737 -6.049 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.279 -9.466 -5.047 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.618 -11.770 -7.662 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.167 -10.119 -5.790 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -2.198 -12.800 -9.378 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.255 -11.135 -7.515 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.242 -12.478 -9.313 1.00 0.29 H new ATOM 395 N ILE A 354 -5.396 -10.008 -3.855 1.00 0.11 N ATOM 396 CA ILE A 354 -6.279 -9.237 -3.009 1.00 0.11 C ATOM 397 C ILE A 354 -7.720 -9.420 -3.484 1.00 0.12 C ATOM 398 O ILE A 354 -7.971 -9.523 -4.683 1.00 0.16 O ATOM 399 CB ILE A 354 -5.890 -7.746 -3.040 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.651 -6.978 -1.971 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.143 -7.141 -4.419 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.114 -5.592 -1.744 1.00 0.12 C ATOM 0 H ILE A 354 -5.784 -10.213 -4.776 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.190 -9.590 -1.981 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.823 -7.669 -2.831 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.701 -6.912 -2.258 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.611 -7.534 -1.035 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.860 -6.088 -4.412 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.550 -7.672 -5.164 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.201 -7.230 -4.667 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.700 -5.097 -0.970 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.073 -5.653 -1.428 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.179 -5.020 -2.670 1.00 0.12 H new ATOM 414 N ARG A 355 -8.664 -9.487 -2.560 1.00 0.12 N ATOM 415 CA ARG A 355 -10.059 -9.644 -2.939 1.00 0.14 C ATOM 416 C ARG A 355 -10.985 -9.082 -1.873 1.00 0.14 C ATOM 417 O ARG A 355 -10.666 -9.084 -0.681 1.00 0.15 O ATOM 418 CB ARG A 355 -10.380 -11.117 -3.220 1.00 0.18 C ATOM 419 CG ARG A 355 -10.161 -12.050 -2.042 1.00 0.24 C ATOM 420 CD ARG A 355 -10.300 -13.504 -2.463 1.00 0.40 C ATOM 421 NE ARG A 355 -10.009 -14.433 -1.370 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.573 -15.637 -1.244 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.505 -16.036 -2.100 1.00 1.59 N ATOM 424 NH2 ARG A 355 -10.211 -16.444 -0.256 1.00 2.39 N ATOM 0 H ARG A 355 -8.494 -9.436 -1.556 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.224 -9.076 -3.855 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.420 -11.194 -3.539 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.765 -11.456 -4.054 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.169 -11.883 -1.621 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.883 -11.825 -1.257 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.313 -13.679 -2.825 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.625 -13.704 -3.295 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.335 -14.143 -0.662 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -11.795 -15.422 -2.861 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.931 -16.957 -1.997 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -9.499 -16.146 0.411 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -10.644 -17.363 -0.163 1.00 2.39 H new ATOM 438 N TRP A 356 -12.117 -8.568 -2.326 1.00 0.15 N ATOM 439 CA TRP A 356 -13.136 -8.019 -1.450 1.00 0.16 C ATOM 440 C TRP A 356 -13.671 -9.062 -0.482 1.00 0.18 C ATOM 441 O TRP A 356 -14.019 -10.175 -0.877 1.00 0.25 O ATOM 442 CB TRP A 356 -14.290 -7.462 -2.277 1.00 0.18 C ATOM 443 CG TRP A 356 -13.959 -6.170 -2.943 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.760 -5.950 -4.273 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.776 -4.914 -2.295 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.477 -4.623 -4.485 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.484 -3.970 -3.284 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.836 -4.498 -0.972 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.255 -2.635 -2.985 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.601 -3.178 -0.676 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.316 -2.255 -1.679 1.00 0.20 C ATOM 0 H TRP A 356 -12.355 -8.520 -3.317 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.672 -7.222 -0.869 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.573 -8.193 -3.035 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.157 -7.320 -1.632 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.816 -6.705 -5.043 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.292 -4.194 -5.392 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.064 -5.203 -0.186 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.035 -1.920 -3.764 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.638 -2.850 0.352 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.141 -1.222 -1.417 1.00 0.20 H new ATOM 462 N GLU A 357 -13.727 -8.692 0.783 1.00 0.18 N ATOM 463 CA GLU A 357 -14.304 -9.544 1.802 1.00 0.22 C ATOM 464 C GLU A 357 -15.751 -9.130 2.010 1.00 0.22 C ATOM 465 O GLU A 357 -16.645 -9.962 2.148 1.00 0.31 O ATOM 466 CB GLU A 357 -13.520 -9.414 3.103 1.00 0.25 C ATOM 467 CG GLU A 357 -13.710 -10.586 4.046 1.00 0.52 C ATOM 468 CD GLU A 357 -13.311 -11.899 3.410 1.00 0.45 C ATOM 469 OE1 GLU A 357 -12.132 -12.277 3.512 1.00 0.79 O ATOM 470 OE2 GLU A 357 -14.178 -12.557 2.797 1.00 0.73 O ATOM 0 H GLU A 357 -13.376 -7.799 1.130 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.260 -10.586 1.486 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -12.460 -9.314 2.870 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -13.823 -8.498 3.610 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -13.118 -10.425 4.947 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -14.754 -10.636 4.355 1.00 0.52 H new ATOM 477 N ASP A 358 -15.960 -7.824 2.015 1.00 0.19 N ATOM 478 CA ASP A 358 -17.292 -7.245 2.069 1.00 0.22 C ATOM 479 C ASP A 358 -17.289 -5.948 1.268 1.00 0.20 C ATOM 480 O ASP A 358 -16.919 -4.892 1.772 1.00 0.22 O ATOM 481 CB ASP A 358 -17.717 -6.984 3.516 1.00 0.28 C ATOM 482 CG ASP A 358 -19.222 -6.875 3.650 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.767 -5.774 3.435 1.00 2.07 O ATOM 484 OD2 ASP A 358 -19.871 -7.892 3.957 1.00 1.30 O ATOM 0 H ASP A 358 -15.209 -7.134 1.982 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.010 -7.943 1.640 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.353 -7.790 4.153 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.253 -6.064 3.871 1.00 0.28 H new ATOM 489 N LYS A 359 -17.694 -6.043 0.012 1.00 0.23 N ATOM 490 CA LYS A 359 -17.498 -4.967 -0.954 1.00 0.26 C ATOM 491 C LYS A 359 -18.306 -3.703 -0.632 1.00 0.28 C ATOM 492 O LYS A 359 -17.870 -2.595 -0.951 1.00 0.33 O ATOM 493 CB LYS A 359 -17.821 -5.476 -2.361 1.00 0.35 C ATOM 494 CG LYS A 359 -17.581 -4.459 -3.464 1.00 0.41 C ATOM 495 CD LYS A 359 -17.063 -5.126 -4.725 1.00 0.60 C ATOM 496 CE LYS A 359 -17.021 -4.166 -5.902 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.380 -3.836 -6.406 1.00 1.65 N ATOM 0 H LYS A 359 -18.166 -6.863 -0.368 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.450 -4.671 -0.897 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.218 -6.361 -2.562 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.865 -5.788 -2.391 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.509 -3.932 -3.684 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.863 -3.713 -3.124 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.063 -5.519 -4.542 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -17.699 -5.976 -4.973 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.514 -3.249 -5.603 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.434 -4.607 -6.708 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.301 -3.320 -7.305 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -18.917 -4.714 -6.557 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.874 -3.243 -5.709 1.00 1.65 H new ATOM 511 N GLU A 360 -19.457 -3.849 0.011 1.00 0.32 N ATOM 512 CA GLU A 360 -20.313 -2.701 0.271 1.00 0.36 C ATOM 513 C GLU A 360 -19.836 -1.933 1.488 1.00 0.34 C ATOM 514 O GLU A 360 -19.961 -0.712 1.563 1.00 0.42 O ATOM 515 CB GLU A 360 -21.753 -3.132 0.456 1.00 0.45 C ATOM 516 CG GLU A 360 -22.319 -3.848 -0.751 1.00 0.94 C ATOM 517 CD GLU A 360 -23.807 -4.096 -0.640 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.539 -3.171 -0.231 1.00 1.40 O ATOM 519 OE2 GLU A 360 -24.259 -5.209 -0.983 1.00 1.33 O ATOM 0 H GLU A 360 -19.815 -4.739 0.358 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.257 -2.043 -0.596 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -21.821 -3.787 1.324 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -22.364 -2.255 0.670 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.119 -3.257 -1.645 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -21.805 -4.801 -0.877 1.00 0.94 H new ATOM 526 N SER A 361 -19.289 -2.659 2.441 1.00 0.28 N ATOM 527 CA SER A 361 -18.717 -2.049 3.625 1.00 0.27 C ATOM 528 C SER A 361 -17.329 -1.491 3.319 1.00 0.23 C ATOM 529 O SER A 361 -16.778 -0.713 4.101 1.00 0.25 O ATOM 530 CB SER A 361 -18.615 -3.081 4.734 1.00 0.29 C ATOM 531 OG SER A 361 -17.918 -4.208 4.280 1.00 1.10 O ATOM 0 H SER A 361 -19.228 -3.677 2.419 1.00 0.28 H new ATOM 0 HA SER A 361 -19.364 -1.232 3.944 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.105 -2.651 5.596 1.00 0.29 H new ATOM 0 HB3 SER A 361 -19.612 -3.370 5.066 1.00 0.29 H new ATOM 0 HG SER A 361 -17.654 -4.075 3.346 1.00 1.10 H new ATOM 537 N LYS A 362 -16.798 -1.893 2.157 1.00 0.20 N ATOM 538 CA LYS A 362 -15.438 -1.561 1.728 1.00 0.19 C ATOM 539 C LYS A 362 -14.414 -2.374 2.524 1.00 0.15 C ATOM 540 O LYS A 362 -13.260 -1.968 2.683 1.00 0.16 O ATOM 541 CB LYS A 362 -15.156 -0.059 1.862 1.00 0.24 C ATOM 542 CG LYS A 362 -16.143 0.814 1.104 1.00 0.33 C ATOM 543 CD LYS A 362 -16.032 0.632 -0.400 1.00 0.46 C ATOM 544 CE LYS A 362 -17.098 1.432 -1.128 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.001 1.288 -2.606 1.00 1.83 N ATOM 0 H LYS A 362 -17.308 -2.464 1.483 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.349 -1.820 0.673 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.178 0.214 2.917 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.149 0.147 1.500 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.157 0.575 1.423 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -15.968 1.860 1.356 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.044 0.947 -0.736 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.132 -0.424 -0.650 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -18.084 1.105 -0.797 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -17.005 2.485 -0.861 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -17.657 1.953 -3.063 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -16.029 1.495 -2.912 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -17.250 0.315 -2.877 1.00 1.83 H new ATOM 559 N ILE A 363 -14.849 -3.529 3.017 1.00 0.14 N ATOM 560 CA ILE A 363 -13.973 -4.442 3.749 1.00 0.13 C ATOM 561 C ILE A 363 -13.243 -5.323 2.737 1.00 0.11 C ATOM 562 O ILE A 363 -13.875 -6.064 1.980 1.00 0.14 O ATOM 563 CB ILE A 363 -14.753 -5.357 4.749 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.368 -4.596 5.944 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.829 -6.434 5.290 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.546 -3.119 5.749 1.00 0.19 C ATOM 0 H ILE A 363 -15.810 -3.858 2.923 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.279 -3.840 4.336 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.577 -5.786 4.179 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -16.340 -5.034 6.170 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.736 -4.756 6.818 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.378 -7.068 5.986 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.454 -7.040 4.465 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.991 -5.968 5.808 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.984 -2.684 6.647 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.577 -2.658 5.558 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.206 -2.941 4.900 1.00 0.19 H new ATOM 578 N PHE A 364 -11.925 -5.253 2.711 1.00 0.09 N ATOM 579 CA PHE A 364 -11.167 -5.946 1.684 1.00 0.08 C ATOM 580 C PHE A 364 -10.024 -6.750 2.296 1.00 0.08 C ATOM 581 O PHE A 364 -9.406 -6.324 3.272 1.00 0.09 O ATOM 582 CB PHE A 364 -10.641 -4.941 0.652 1.00 0.09 C ATOM 583 CG PHE A 364 -9.439 -4.157 1.098 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.561 -3.112 1.997 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.182 -4.470 0.610 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.447 -2.394 2.399 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.069 -3.758 1.006 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.200 -2.719 1.900 1.00 0.10 C ATOM 0 H PHE A 364 -11.361 -4.730 3.381 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.829 -6.649 1.179 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.389 -5.478 -0.263 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.441 -4.244 0.403 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.534 -2.854 2.389 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.071 -5.284 -0.091 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.553 -1.581 3.102 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.096 -4.015 0.615 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.330 -2.159 2.211 1.00 0.10 H new ATOM 598 N ARG A 365 -9.751 -7.913 1.720 1.00 0.08 N ATOM 599 CA ARG A 365 -8.716 -8.797 2.230 1.00 0.09 C ATOM 600 C ARG A 365 -7.506 -8.780 1.327 1.00 0.09 C ATOM 601 O ARG A 365 -7.627 -8.950 0.113 1.00 0.10 O ATOM 602 CB ARG A 365 -9.212 -10.240 2.301 1.00 0.13 C ATOM 603 CG ARG A 365 -8.169 -11.205 2.852 1.00 0.20 C ATOM 604 CD ARG A 365 -8.394 -12.636 2.380 1.00 0.26 C ATOM 605 NE ARG A 365 -9.727 -13.138 2.708 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.073 -14.423 2.659 1.00 0.73 C ATOM 607 NH1 ARG A 365 -9.172 -15.353 2.373 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.321 -14.769 2.918 1.00 1.14 N ATOM 0 H ARG A 365 -10.236 -8.266 0.895 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.456 -8.438 3.226 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -10.103 -10.281 2.928 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.508 -10.565 1.304 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.176 -10.876 2.545 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -8.192 -11.177 3.941 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.248 -12.685 1.301 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.645 -13.285 2.833 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.436 -12.462 2.992 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -8.205 -15.086 2.188 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.446 -16.335 2.338 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -12.010 -14.055 3.153 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.596 -15.751 2.883 1.00 1.14 H new ATOM 622 N ILE A 366 -6.345 -8.599 1.915 1.00 0.09 N ATOM 623 CA ILE A 366 -5.112 -8.788 1.194 1.00 0.09 C ATOM 624 C ILE A 366 -4.737 -10.259 1.243 1.00 0.09 C ATOM 625 O ILE A 366 -4.414 -10.812 2.296 1.00 0.12 O ATOM 626 CB ILE A 366 -3.990 -7.886 1.734 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.301 -6.435 1.343 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.639 -8.336 1.202 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.240 -5.428 1.725 1.00 0.12 C ATOM 0 H ILE A 366 -6.231 -8.321 2.890 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.254 -8.493 0.154 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.940 -7.957 2.821 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.452 -6.390 0.264 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.242 -6.143 1.809 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.858 -7.685 1.595 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.448 -9.362 1.515 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.641 -8.283 0.113 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.551 -4.433 1.407 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.103 -5.437 2.806 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.300 -5.687 1.238 1.00 0.12 H new ATOM 641 N VAL A 367 -4.828 -10.883 0.087 1.00 0.10 N ATOM 642 CA VAL A 367 -4.745 -12.325 -0.037 1.00 0.12 C ATOM 643 C VAL A 367 -3.297 -12.800 -0.118 1.00 0.13 C ATOM 644 O VAL A 367 -2.914 -13.777 0.531 1.00 0.19 O ATOM 645 CB VAL A 367 -5.542 -12.769 -1.273 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.283 -14.213 -1.629 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.018 -12.545 -1.031 1.00 0.20 C ATOM 0 H VAL A 367 -4.963 -10.400 -0.801 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.176 -12.781 0.855 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.211 -12.166 -2.119 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.868 -14.481 -2.509 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.223 -14.351 -1.842 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.571 -14.851 -0.793 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.583 -12.860 -1.908 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.337 -13.126 -0.166 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.200 -11.487 -0.844 1.00 0.20 H new ATOM 657 N ASP A 368 -2.500 -12.104 -0.906 1.00 0.12 N ATOM 658 CA ASP A 368 -1.073 -12.368 -0.975 1.00 0.13 C ATOM 659 C ASP A 368 -0.333 -11.064 -0.780 1.00 0.12 C ATOM 660 O ASP A 368 -0.033 -10.354 -1.737 1.00 0.12 O ATOM 661 CB ASP A 368 -0.675 -13.009 -2.308 1.00 0.18 C ATOM 662 CG ASP A 368 0.758 -13.520 -2.307 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.676 -12.720 -2.024 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.979 -14.714 -2.598 1.00 0.52 O ATOM 0 H ASP A 368 -2.818 -11.347 -1.511 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.809 -13.076 -0.190 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.351 -13.836 -2.526 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.796 -12.279 -3.108 1.00 0.18 H new ATOM 669 N PRO A 369 -0.076 -10.722 0.480 1.00 0.11 N ATOM 670 CA PRO A 369 0.544 -9.461 0.860 1.00 0.11 C ATOM 671 C PRO A 369 1.878 -9.197 0.168 1.00 0.12 C ATOM 672 O PRO A 369 2.181 -8.058 -0.194 1.00 0.14 O ATOM 673 CB PRO A 369 0.722 -9.609 2.373 1.00 0.13 C ATOM 674 CG PRO A 369 -0.350 -10.538 2.760 1.00 0.13 C ATOM 675 CD PRO A 369 -0.410 -11.526 1.656 1.00 0.13 C ATOM 0 HA PRO A 369 -0.066 -8.608 0.564 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.706 -10.006 2.624 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.625 -8.651 2.883 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.130 -11.021 3.712 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.301 -10.018 2.878 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.299 -12.340 1.804 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.399 -11.976 1.570 1.00 0.13 H new ATOM 683 N ASN A 370 2.661 -10.246 -0.030 1.00 0.15 N ATOM 684 CA ASN A 370 3.968 -10.104 -0.667 1.00 0.18 C ATOM 685 C ASN A 370 3.790 -9.696 -2.127 1.00 0.16 C ATOM 686 O ASN A 370 4.418 -8.746 -2.605 1.00 0.17 O ATOM 687 CB ASN A 370 4.753 -11.415 -0.582 1.00 0.25 C ATOM 688 CG ASN A 370 6.238 -11.235 -0.847 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.653 -10.344 -1.588 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.053 -12.082 -0.240 1.00 0.99 N ATOM 0 H ASN A 370 2.420 -11.200 0.238 1.00 0.15 H new ATOM 0 HA ASN A 370 4.530 -9.330 -0.143 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.616 -11.851 0.408 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.344 -12.124 -1.302 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.061 -12.009 -0.379 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.674 -12.808 0.367 1.00 0.99 H new ATOM 697 N GLY A 371 2.911 -10.407 -2.822 1.00 0.16 N ATOM 698 CA GLY A 371 2.634 -10.102 -4.213 1.00 0.17 C ATOM 699 C GLY A 371 1.895 -8.788 -4.371 1.00 0.14 C ATOM 700 O GLY A 371 2.098 -8.071 -5.349 1.00 0.16 O ATOM 0 H GLY A 371 2.382 -11.194 -2.445 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.571 -10.060 -4.768 1.00 0.17 H new ATOM 0 HA3 GLY A 371 2.041 -10.906 -4.649 1.00 0.17 H new ATOM 704 N LEU A 372 1.040 -8.476 -3.401 1.00 0.13 N ATOM 705 CA LEU A 372 0.314 -7.211 -3.374 1.00 0.12 C ATOM 706 C LEU A 372 1.308 -6.054 -3.349 1.00 0.12 C ATOM 707 O LEU A 372 1.196 -5.095 -4.114 1.00 0.12 O ATOM 708 CB LEU A 372 -0.591 -7.167 -2.131 1.00 0.12 C ATOM 709 CG LEU A 372 -1.855 -6.310 -2.230 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.526 -4.836 -2.405 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.723 -6.796 -3.373 1.00 0.14 C ATOM 0 H LEU A 372 0.832 -9.091 -2.614 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.307 -7.122 -4.266 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.890 -8.188 -1.892 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.002 -6.803 -1.292 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.402 -6.413 -1.293 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.450 -4.262 -2.471 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.944 -4.489 -1.551 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.947 -4.698 -3.318 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.620 -6.180 -3.436 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.167 -6.724 -4.308 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -3.007 -7.834 -3.199 1.00 0.14 H new ATOM 723 N ALA A 373 2.291 -6.170 -2.467 1.00 0.13 N ATOM 724 CA ALA A 373 3.362 -5.194 -2.362 1.00 0.16 C ATOM 725 C ALA A 373 4.134 -5.096 -3.669 1.00 0.18 C ATOM 726 O ALA A 373 4.441 -4.005 -4.131 1.00 0.22 O ATOM 727 CB ALA A 373 4.292 -5.586 -1.235 1.00 0.18 C ATOM 0 H ALA A 373 2.367 -6.943 -1.806 1.00 0.13 H new ATOM 0 HA ALA A 373 2.928 -4.217 -2.152 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.096 -4.854 -1.155 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.736 -5.617 -0.298 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.715 -6.570 -1.438 1.00 0.18 H new ATOM 733 N ARG A 374 4.453 -6.245 -4.258 1.00 0.19 N ATOM 734 CA ARG A 374 5.182 -6.279 -5.515 1.00 0.24 C ATOM 735 C ARG A 374 4.382 -5.642 -6.644 1.00 0.19 C ATOM 736 O ARG A 374 4.944 -4.943 -7.489 1.00 0.21 O ATOM 737 CB ARG A 374 5.576 -7.704 -5.863 1.00 0.33 C ATOM 738 CG ARG A 374 7.061 -7.934 -5.671 1.00 0.67 C ATOM 739 CD ARG A 374 7.356 -9.316 -5.134 1.00 0.92 C ATOM 740 NE ARG A 374 8.796 -9.539 -4.974 1.00 1.47 N ATOM 741 CZ ARG A 374 9.325 -10.462 -4.170 1.00 1.99 C ATOM 742 NH1 ARG A 374 8.541 -11.250 -3.446 1.00 2.45 N ATOM 743 NH2 ARG A 374 10.642 -10.591 -4.079 1.00 2.67 N ATOM 0 H ARG A 374 4.217 -7.163 -3.882 1.00 0.19 H new ATOM 0 HA ARG A 374 6.091 -5.691 -5.390 1.00 0.24 H new ATOM 0 HB2 ARG A 374 5.016 -8.400 -5.239 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.305 -7.915 -6.898 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.575 -7.798 -6.623 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.458 -7.186 -4.984 1.00 0.67 H new ATOM 0 HD2 ARG A 374 6.858 -9.447 -4.173 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.945 -10.065 -5.811 1.00 0.92 H new ATOM 0 HE ARG A 374 9.433 -8.951 -5.511 1.00 1.47 H new ATOM 0 HH11 ARG A 374 7.527 -11.152 -3.502 1.00 2.45 H new ATOM 0 HH12 ARG A 374 8.952 -11.954 -2.833 1.00 2.45 H new ATOM 0 HH21 ARG A 374 11.253 -9.983 -4.625 1.00 2.67 H new ATOM 0 HH22 ARG A 374 11.044 -11.298 -3.463 1.00 2.67 H new ATOM 757 N LEU A 375 3.075 -5.890 -6.661 1.00 0.17 N ATOM 758 CA LEU A 375 2.177 -5.193 -7.575 1.00 0.18 C ATOM 759 C LEU A 375 2.326 -3.687 -7.407 1.00 0.19 C ATOM 760 O LEU A 375 2.569 -2.960 -8.374 1.00 0.22 O ATOM 761 CB LEU A 375 0.716 -5.592 -7.320 1.00 0.18 C ATOM 762 CG LEU A 375 0.297 -6.960 -7.856 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.145 -7.261 -7.480 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.454 -7.006 -9.363 1.00 0.26 C ATOM 0 H LEU A 375 2.615 -6.568 -6.053 1.00 0.17 H new ATOM 0 HA LEU A 375 2.445 -5.476 -8.593 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.536 -5.573 -6.245 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.070 -4.835 -7.764 1.00 0.18 H new ATOM 0 HG LEU A 375 0.943 -7.715 -7.408 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.426 -8.239 -7.870 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.246 -7.261 -6.395 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.798 -6.499 -7.905 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.152 -7.987 -9.731 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.173 -6.239 -9.818 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.496 -6.825 -9.626 1.00 0.26 H new ATOM 776 N TRP A 376 2.191 -3.230 -6.168 1.00 0.18 N ATOM 777 CA TRP A 376 2.304 -1.816 -5.854 1.00 0.20 C ATOM 778 C TRP A 376 3.696 -1.296 -6.215 1.00 0.25 C ATOM 779 O TRP A 376 3.843 -0.186 -6.723 1.00 0.30 O ATOM 780 CB TRP A 376 1.999 -1.582 -4.370 1.00 0.20 C ATOM 781 CG TRP A 376 2.055 -0.141 -3.976 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.206 0.852 -4.371 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.005 0.465 -3.098 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.591 2.049 -3.812 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.691 1.835 -3.021 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.097 -0.019 -2.374 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.434 2.726 -2.245 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.827 0.862 -1.605 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.495 2.220 -1.546 1.00 0.35 C ATOM 0 H TRP A 376 2.002 -3.825 -5.361 1.00 0.18 H new ATOM 0 HA TRP A 376 1.575 -1.263 -6.447 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.008 -1.975 -4.143 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.711 -2.145 -3.766 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.357 0.718 -5.026 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.133 2.948 -3.961 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.365 -1.064 -2.416 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.181 3.775 -2.198 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.671 0.497 -1.038 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.090 2.883 -0.935 1.00 0.35 H new ATOM 800 N GLY A 377 4.709 -2.120 -5.959 1.00 0.27 N ATOM 801 CA GLY A 377 6.068 -1.798 -6.353 1.00 0.33 C ATOM 802 C GLY A 377 6.176 -1.542 -7.841 1.00 0.38 C ATOM 803 O GLY A 377 6.785 -0.563 -8.261 1.00 0.41 O ATOM 0 H GLY A 377 4.609 -3.015 -5.480 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.406 -0.917 -5.807 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.731 -2.618 -6.076 1.00 0.33 H new ATOM 807 N ASN A 378 5.559 -2.411 -8.635 1.00 0.41 N ATOM 808 CA ASN A 378 5.581 -2.287 -10.092 1.00 0.50 C ATOM 809 C ASN A 378 5.025 -0.933 -10.531 1.00 0.51 C ATOM 810 O ASN A 378 5.531 -0.313 -11.469 1.00 0.62 O ATOM 811 CB ASN A 378 4.768 -3.416 -10.730 1.00 0.54 C ATOM 812 CG ASN A 378 4.896 -3.456 -12.243 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.927 -3.075 -12.802 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.859 -3.932 -12.918 1.00 1.06 N ATOM 0 H ASN A 378 5.033 -3.215 -8.293 1.00 0.41 H new ATOM 0 HA ASN A 378 6.617 -2.359 -10.424 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.096 -4.370 -10.318 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.718 -3.297 -10.462 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.897 -3.993 -13.935 1.00 1.06 H new ATOM 0 HD22 ASN A 378 3.023 -4.238 -12.420 1.00 1.06 H new ATOM 821 N HIS A 379 3.993 -0.477 -9.831 1.00 0.44 N ATOM 822 CA HIS A 379 3.353 0.803 -10.122 1.00 0.49 C ATOM 823 C HIS A 379 4.230 1.976 -9.676 1.00 0.53 C ATOM 824 O HIS A 379 4.222 3.040 -10.294 1.00 0.67 O ATOM 825 CB HIS A 379 1.978 0.851 -9.439 1.00 0.51 C ATOM 826 CG HIS A 379 1.299 2.193 -9.460 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.657 2.656 -10.583 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.170 3.109 -8.467 1.00 0.78 C ATOM 829 CE1 HIS A 379 0.155 3.834 -10.250 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.440 4.150 -8.979 1.00 0.89 N ATOM 0 H HIS A 379 3.576 -0.981 -9.048 1.00 0.44 H new ATOM 0 HA HIS A 379 3.219 0.894 -11.200 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.325 0.124 -9.921 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.094 0.537 -8.402 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.567 3.032 -7.465 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.414 4.463 -10.919 1.00 0.84 H new ATOM 0 HE2 HIS A 379 0.166 5.001 -8.488 1.00 0.89 H new ATOM 838 N LYS A 380 5.003 1.769 -8.620 1.00 0.47 N ATOM 839 CA LYS A 380 5.844 2.818 -8.063 1.00 0.55 C ATOM 840 C LYS A 380 7.285 2.673 -8.554 1.00 0.56 C ATOM 841 O LYS A 380 8.222 3.068 -7.862 1.00 0.70 O ATOM 842 CB LYS A 380 5.790 2.784 -6.537 1.00 0.62 C ATOM 843 CG LYS A 380 4.387 2.982 -5.981 1.00 0.79 C ATOM 844 CD LYS A 380 3.828 4.362 -6.309 1.00 0.75 C ATOM 845 CE LYS A 380 4.493 5.458 -5.487 1.00 0.84 C ATOM 846 NZ LYS A 380 3.792 6.765 -5.633 1.00 1.36 N ATOM 0 H LYS A 380 5.065 0.877 -8.129 1.00 0.47 H new ATOM 0 HA LYS A 380 5.465 3.782 -8.403 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.181 1.828 -6.187 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.444 3.560 -6.140 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.725 2.217 -6.388 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.404 2.846 -4.900 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.970 4.568 -7.370 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.754 4.371 -6.124 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.504 5.168 -4.436 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.532 5.566 -5.799 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.357 7.514 -5.185 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.668 6.982 -6.643 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.861 6.713 -5.173 1.00 1.36 H new ATOM 860 N ASN A 381 7.432 2.062 -9.739 1.00 0.52 N ATOM 861 CA ASN A 381 8.730 1.813 -10.390 1.00 0.60 C ATOM 862 C ASN A 381 9.746 1.191 -9.430 1.00 0.59 C ATOM 863 O ASN A 381 10.943 1.482 -9.473 1.00 0.76 O ATOM 864 CB ASN A 381 9.300 3.081 -11.073 1.00 0.76 C ATOM 865 CG ASN A 381 9.627 4.233 -10.128 1.00 1.50 C ATOM 866 OD1 ASN A 381 10.727 4.313 -9.577 1.00 2.30 O ATOM 867 ND2 ASN A 381 8.687 5.154 -9.967 1.00 2.17 N ATOM 0 H ASN A 381 6.639 1.721 -10.282 1.00 0.52 H new ATOM 0 HA ASN A 381 8.541 1.084 -11.178 1.00 0.60 H new ATOM 0 HB2 ASN A 381 10.206 2.807 -11.614 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.580 3.431 -11.813 1.00 0.76 H new ATOM 0 HD21 ASN A 381 8.862 5.963 -9.371 1.00 2.17 H new ATOM 0 HD22 ASN A 381 7.789 5.054 -10.439 1.00 2.17 H new ATOM 874 N ARG A 382 9.256 0.291 -8.596 1.00 0.49 N ATOM 875 CA ARG A 382 10.079 -0.383 -7.608 1.00 0.55 C ATOM 876 C ARG A 382 10.160 -1.880 -7.891 1.00 0.67 C ATOM 877 O ARG A 382 9.227 -2.477 -8.427 1.00 0.79 O ATOM 878 CB ARG A 382 9.519 -0.141 -6.206 1.00 0.51 C ATOM 879 CG ARG A 382 9.830 1.235 -5.659 1.00 0.70 C ATOM 880 CD ARG A 382 11.309 1.564 -5.812 1.00 1.09 C ATOM 881 NE ARG A 382 11.772 2.545 -4.830 1.00 1.88 N ATOM 882 CZ ARG A 382 12.786 3.386 -5.040 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.393 3.428 -6.221 1.00 2.40 N ATOM 884 NH2 ARG A 382 13.194 4.192 -4.068 1.00 3.26 N ATOM 0 H ARG A 382 8.276 0.007 -8.585 1.00 0.49 H new ATOM 0 HA ARG A 382 11.087 0.028 -7.666 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.438 -0.279 -6.227 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.923 -0.892 -5.528 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.232 1.981 -6.182 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.550 1.283 -4.607 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.893 0.650 -5.710 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.490 1.947 -6.816 1.00 1.09 H new ATOM 0 HE ARG A 382 11.291 2.588 -3.932 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.084 2.814 -6.975 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.168 4.074 -6.374 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.732 4.169 -3.159 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.969 4.834 -4.230 1.00 3.26 H new ATOM 943 N THR A 386 8.109 -5.685 -0.774 1.00 0.33 N ATOM 944 CA THR A 386 7.585 -6.715 0.091 1.00 0.28 C ATOM 945 C THR A 386 6.525 -6.069 0.984 1.00 0.21 C ATOM 946 O THR A 386 6.545 -4.852 1.114 1.00 0.24 O ATOM 947 CB THR A 386 8.735 -7.309 0.927 1.00 0.33 C ATOM 948 OG1 THR A 386 9.587 -8.114 0.100 1.00 0.54 O ATOM 949 CG2 THR A 386 8.221 -8.109 2.095 1.00 0.26 C ATOM 0 HA THR A 386 7.135 -7.527 -0.480 1.00 0.28 H new ATOM 0 HB THR A 386 9.315 -6.479 1.330 1.00 0.33 H new ATOM 0 HG1 THR A 386 9.609 -7.742 -0.806 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.063 -8.511 2.659 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.624 -7.466 2.742 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.604 -8.930 1.730 1.00 0.26 H new ATOM 957 N TYR A 387 5.585 -6.818 1.562 1.00 0.19 N ATOM 958 CA TYR A 387 4.517 -6.174 2.327 1.00 0.17 C ATOM 959 C TYR A 387 5.098 -5.353 3.477 1.00 0.16 C ATOM 960 O TYR A 387 4.614 -4.264 3.769 1.00 0.18 O ATOM 961 CB TYR A 387 3.488 -7.168 2.853 1.00 0.19 C ATOM 962 CG TYR A 387 2.220 -6.480 3.289 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.149 -5.831 4.513 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.099 -6.465 2.474 1.00 0.22 C ATOM 965 CE1 TYR A 387 1.001 -5.190 4.911 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.054 -5.831 2.869 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.098 -5.193 4.088 1.00 0.26 C ATOM 968 OH TYR A 387 -1.248 -4.566 4.489 1.00 0.30 O ATOM 0 H TYR A 387 5.539 -7.836 1.519 1.00 0.19 H new ATOM 0 HA TYR A 387 3.996 -5.509 1.638 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.258 -7.898 2.077 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.911 -7.719 3.693 1.00 0.19 H new ATOM 0 HD1 TYR A 387 3.011 -5.830 5.164 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.132 -6.959 1.514 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.963 -4.687 5.866 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.922 -5.833 2.226 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.975 -5.220 4.543 1.00 0.30 H new ATOM 978 N GLU A 388 6.151 -5.867 4.107 1.00 0.20 N ATOM 979 CA GLU A 388 6.874 -5.132 5.134 1.00 0.26 C ATOM 980 C GLU A 388 7.302 -3.758 4.616 1.00 0.25 C ATOM 981 O GLU A 388 7.312 -2.767 5.346 1.00 0.31 O ATOM 982 CB GLU A 388 8.102 -5.921 5.538 1.00 0.38 C ATOM 983 CG GLU A 388 7.810 -7.303 6.095 1.00 1.00 C ATOM 984 CD GLU A 388 9.078 -8.040 6.470 1.00 1.78 C ATOM 985 OE1 GLU A 388 9.672 -8.695 5.591 1.00 2.37 O ATOM 986 OE2 GLU A 388 9.497 -7.953 7.646 1.00 2.34 O ATOM 0 H GLU A 388 6.523 -6.798 3.920 1.00 0.20 H new ATOM 0 HA GLU A 388 6.218 -4.991 5.993 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.754 -6.024 4.670 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.654 -5.351 6.286 1.00 0.38 H new ATOM 0 HG2 GLU A 388 7.170 -7.213 6.972 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.258 -7.883 5.356 1.00 1.00 H new ATOM 993 N LYS A 389 7.660 -3.734 3.344 1.00 0.24 N ATOM 994 CA LYS A 389 8.097 -2.533 2.657 1.00 0.28 C ATOM 995 C LYS A 389 6.900 -1.685 2.192 1.00 0.26 C ATOM 996 O LYS A 389 6.981 -0.461 2.141 1.00 0.32 O ATOM 997 CB LYS A 389 8.985 -2.964 1.484 1.00 0.34 C ATOM 998 CG LYS A 389 10.200 -3.751 1.951 1.00 0.46 C ATOM 999 CD LYS A 389 10.816 -4.581 0.837 1.00 0.52 C ATOM 1000 CE LYS A 389 11.922 -5.480 1.374 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.048 -6.742 0.596 1.00 1.62 N ATOM 0 H LYS A 389 7.655 -4.563 2.750 1.00 0.24 H new ATOM 0 HA LYS A 389 8.667 -1.897 3.334 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.402 -3.572 0.792 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.313 -2.082 0.934 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.948 -3.061 2.342 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.911 -4.407 2.772 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.046 -5.190 0.363 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.219 -3.922 0.068 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.870 -4.943 1.347 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.720 -5.718 2.418 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 12.649 -7.412 1.117 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 11.106 -7.159 0.455 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.478 -6.538 -0.329 1.00 1.62 H new ATOM 1015 N MET A 390 5.787 -2.347 1.869 1.00 0.19 N ATOM 1016 CA MET A 390 4.577 -1.658 1.403 1.00 0.20 C ATOM 1017 C MET A 390 3.792 -1.061 2.572 1.00 0.20 C ATOM 1018 O MET A 390 3.179 0.002 2.448 1.00 0.22 O ATOM 1019 CB MET A 390 3.679 -2.622 0.616 1.00 0.18 C ATOM 1020 CG MET A 390 2.318 -2.866 1.255 1.00 0.23 C ATOM 1021 SD MET A 390 1.239 -3.880 0.229 1.00 0.68 S ATOM 1022 CE MET A 390 1.008 -2.797 -1.177 1.00 1.18 C ATOM 0 H MET A 390 5.696 -3.362 1.921 1.00 0.19 H new ATOM 0 HA MET A 390 4.892 -0.845 0.749 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.531 -2.225 -0.388 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.195 -3.576 0.509 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.457 -3.353 2.220 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.835 -1.908 1.447 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.018 -2.428 -1.187 1.00 1.18 H new ATOM 0 HE2 MET A 390 1.696 -1.955 -1.104 1.00 1.18 H new ATOM 0 HE3 MET A 390 1.205 -3.348 -2.097 1.00 1.18 H new ATOM 1032 N SER A 391 3.822 -1.756 3.704 1.00 0.20 N ATOM 1033 CA SER A 391 3.036 -1.388 4.874 1.00 0.21 C ATOM 1034 C SER A 391 3.439 -0.027 5.405 1.00 0.18 C ATOM 1035 O SER A 391 2.666 0.626 6.099 1.00 0.18 O ATOM 1036 CB SER A 391 3.198 -2.441 5.963 1.00 0.26 C ATOM 1037 OG SER A 391 4.562 -2.628 6.291 1.00 0.64 O ATOM 0 H SER A 391 4.393 -2.591 3.835 1.00 0.20 H new ATOM 0 HA SER A 391 1.990 -1.336 4.573 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.645 -2.137 6.852 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.769 -3.385 5.627 1.00 0.26 H new ATOM 0 HG SER A 391 4.960 -3.279 5.676 1.00 0.64 H new ATOM 1043 N ARG A 392 4.648 0.397 5.064 1.00 0.19 N ATOM 1044 CA ARG A 392 5.171 1.671 5.524 1.00 0.20 C ATOM 1045 C ARG A 392 4.248 2.794 5.066 1.00 0.19 C ATOM 1046 O ARG A 392 3.974 3.738 5.810 1.00 0.23 O ATOM 1047 CB ARG A 392 6.574 1.897 4.972 1.00 0.24 C ATOM 1048 CG ARG A 392 7.517 0.728 5.171 1.00 0.52 C ATOM 1049 CD ARG A 392 7.969 0.594 6.608 1.00 0.67 C ATOM 1050 NE ARG A 392 8.894 -0.528 6.786 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.923 -0.524 7.637 1.00 1.66 C ATOM 1052 NH1 ARG A 392 10.180 0.552 8.370 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.701 -1.597 7.739 1.00 2.48 N ATOM 0 H ARG A 392 5.287 -0.128 4.467 1.00 0.19 H new ATOM 0 HA ARG A 392 5.222 1.662 6.613 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.502 2.114 3.906 1.00 0.24 H new ATOM 0 HB3 ARG A 392 7.002 2.779 5.448 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.022 -0.192 4.861 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.388 0.853 4.528 1.00 0.52 H new ATOM 0 HD2 ARG A 392 8.453 1.518 6.924 1.00 0.67 H new ATOM 0 HD3 ARG A 392 7.100 0.454 7.251 1.00 0.67 H new ATOM 0 HE ARG A 392 8.742 -1.366 6.224 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.591 1.380 8.285 1.00 1.88 H new ATOM 0 HH12 ARG A 392 10.967 0.551 9.019 1.00 1.88 H new ATOM 0 HH21 ARG A 392 10.511 -2.421 7.168 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.488 -1.597 8.388 1.00 2.48 H new ATOM 1067 N ALA A 393 3.740 2.652 3.843 1.00 0.16 N ATOM 1068 CA ALA A 393 2.810 3.618 3.274 1.00 0.16 C ATOM 1069 C ALA A 393 1.435 3.476 3.935 1.00 0.16 C ATOM 1070 O ALA A 393 0.774 4.466 4.246 1.00 0.19 O ATOM 1071 CB ALA A 393 2.714 3.430 1.765 1.00 0.19 C ATOM 0 H ALA A 393 3.961 1.871 3.226 1.00 0.16 H new ATOM 0 HA ALA A 393 3.179 4.625 3.467 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.016 4.158 1.351 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.697 3.575 1.317 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.360 2.423 1.546 1.00 0.19 H new ATOM 1077 N LEU A 394 1.030 2.227 4.167 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.249 1.914 4.806 1.00 0.18 C ATOM 1079 C LEU A 394 -0.331 2.452 6.233 1.00 0.18 C ATOM 1080 O LEU A 394 -1.421 2.753 6.722 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.473 0.401 4.817 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.816 -0.209 3.459 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.685 -1.720 3.506 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.226 0.190 3.046 1.00 0.24 C ATOM 0 H LEU A 394 1.579 1.404 3.918 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.028 2.403 4.222 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.426 -0.082 5.199 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.278 0.173 5.515 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.113 0.173 2.718 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.933 -2.137 2.530 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.339 -1.989 3.766 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.367 -2.121 4.256 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.460 -0.250 2.077 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -2.938 -0.169 3.789 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.291 1.276 2.976 1.00 0.24 H new ATOM 1096 N ARG A 395 0.812 2.556 6.905 1.00 0.20 N ATOM 1097 CA ARG A 395 0.847 3.046 8.284 1.00 0.26 C ATOM 1098 C ARG A 395 0.252 4.447 8.389 1.00 0.21 C ATOM 1099 O ARG A 395 -0.412 4.774 9.373 1.00 0.22 O ATOM 1100 CB ARG A 395 2.274 3.049 8.839 1.00 0.36 C ATOM 1101 CG ARG A 395 2.893 1.671 8.956 1.00 0.94 C ATOM 1102 CD ARG A 395 2.174 0.846 10.001 1.00 0.94 C ATOM 1103 NE ARG A 395 2.437 1.321 11.358 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.456 0.535 12.437 1.00 1.91 C ATOM 1105 NH1 ARG A 395 2.258 -0.773 12.320 1.00 1.87 N ATOM 1106 NH2 ARG A 395 2.679 1.057 13.634 1.00 2.78 N ATOM 0 H ARG A 395 1.724 2.309 6.521 1.00 0.20 H new ATOM 0 HA ARG A 395 0.242 2.363 8.880 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.902 3.665 8.195 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.269 3.519 9.823 1.00 0.36 H new ATOM 0 HG2 ARG A 395 2.848 1.164 7.992 1.00 0.94 H new ATOM 0 HG3 ARG A 395 3.947 1.762 9.220 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.101 0.875 9.809 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.485 -0.195 9.916 1.00 0.94 H new ATOM 0 HE ARG A 395 2.618 2.316 11.489 1.00 1.59 H new ATOM 0 HH11 ARG A 395 2.090 -1.183 11.401 1.00 1.87 H new ATOM 0 HH12 ARG A 395 2.274 -1.367 13.149 1.00 1.87 H new ATOM 0 HH21 ARG A 395 2.836 2.060 13.732 1.00 2.78 H new ATOM 0 HH22 ARG A 395 2.693 0.456 14.458 1.00 2.78 H new ATOM 1120 N HIS A 396 0.473 5.267 7.367 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.080 6.610 7.344 1.00 0.19 C ATOM 1122 C HIS A 396 -1.584 6.556 7.175 1.00 0.16 C ATOM 1123 O HIS A 396 -2.312 7.338 7.782 1.00 0.22 O ATOM 1124 CB HIS A 396 0.566 7.442 6.238 1.00 0.24 C ATOM 1125 CG HIS A 396 2.003 7.751 6.522 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.365 8.831 7.293 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.117 7.075 6.155 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.684 8.785 7.382 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.180 7.739 6.710 1.00 1.17 N ATOM 0 H HIS A 396 1.030 5.023 6.548 1.00 0.20 H new ATOM 0 HA HIS A 396 0.140 7.093 8.296 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.493 6.904 5.293 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.014 8.374 6.118 1.00 0.24 H new ATOM 0 HD2 HIS A 396 3.160 6.186 5.544 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.283 9.499 7.927 1.00 1.63 H new ATOM 0 HE2 HIS A 396 5.164 7.484 6.627 1.00 1.17 H new ATOM 1137 N TYR A 397 -2.046 5.581 6.403 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.461 5.469 6.067 1.00 0.15 C ATOM 1139 C TYR A 397 -4.291 5.199 7.311 1.00 0.18 C ATOM 1140 O TYR A 397 -5.474 5.539 7.363 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.690 4.356 5.039 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.097 4.643 3.675 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.105 5.602 3.503 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.533 3.954 2.556 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.577 5.869 2.264 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.004 4.211 1.314 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.027 5.173 1.169 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.522 5.451 -0.079 1.00 0.35 O ATOM 0 H TYR A 397 -1.459 4.853 5.996 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.776 6.418 5.633 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.263 3.429 5.422 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.762 4.192 4.930 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.742 6.148 4.361 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.301 3.202 2.661 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.812 6.623 2.151 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.353 3.660 0.453 1.00 0.32 H new ATOM 0 HH TYR A 397 -2.191 5.941 -0.601 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.662 4.588 8.310 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.317 4.327 9.582 1.00 0.29 C ATOM 1160 C TYR A 398 -4.629 5.640 10.284 1.00 0.31 C ATOM 1161 O TYR A 398 -5.720 5.835 10.817 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.436 3.450 10.473 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.093 2.126 9.839 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.040 1.440 9.100 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.828 1.573 9.962 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.743 0.240 8.501 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.518 0.368 9.362 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.480 -0.295 8.630 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.181 -1.496 8.029 1.00 0.60 O ATOM 0 H TYR A 398 -2.696 4.264 8.260 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.249 3.795 9.390 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.515 3.985 10.704 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.948 3.272 11.419 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.031 1.855 8.992 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -1.074 2.092 10.535 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.497 -0.282 7.931 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.528 -0.052 9.466 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.249 -1.732 8.216 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.661 6.545 10.251 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.783 7.850 10.880 1.00 0.32 C ATOM 1181 C LYS A 399 -4.750 8.727 10.112 1.00 0.29 C ATOM 1182 O LYS A 399 -5.508 9.513 10.685 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.419 8.519 10.918 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.548 8.021 12.045 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.432 6.511 12.059 1.00 0.68 C ATOM 1186 CE LYS A 399 -0.870 6.001 13.372 1.00 1.31 C ATOM 1187 NZ LYS A 399 -1.497 6.669 14.544 1.00 1.98 N ATOM 0 H LYS A 399 -2.766 6.393 9.785 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.163 7.715 11.893 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -1.910 8.347 9.970 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.552 9.596 11.018 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -0.554 8.459 11.953 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -1.959 8.360 12.996 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.414 6.070 11.888 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.790 6.188 11.239 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.029 4.925 13.441 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.207 6.166 13.394 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -1.505 6.015 15.353 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -0.952 7.520 14.791 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -2.473 6.940 14.308 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.712 8.568 8.805 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.565 9.328 7.898 1.00 0.23 C ATOM 1203 C LEU A 400 -6.986 8.803 7.932 1.00 0.22 C ATOM 1204 O LEU A 400 -7.896 9.399 7.355 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.047 9.209 6.475 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.567 9.488 6.302 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.042 8.782 5.074 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.324 10.971 6.191 1.00 0.36 C ATOM 0 H LEU A 400 -4.090 7.909 8.336 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.552 10.369 8.220 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.256 8.203 6.112 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.607 9.898 5.843 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.037 9.111 7.177 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -1.978 8.991 4.961 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.192 7.708 5.180 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.577 9.138 4.193 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.257 11.157 6.067 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -3.863 11.365 5.329 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.676 11.466 7.096 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.152 7.666 8.602 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.438 6.997 8.699 1.00 0.24 C ATOM 1222 C ASN A 401 -8.951 6.625 7.318 1.00 0.19 C ATOM 1223 O ASN A 401 -10.142 6.701 7.038 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.447 7.868 9.453 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.314 7.715 10.953 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.011 6.907 11.566 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.408 8.470 11.555 1.00 1.24 N ATOM 0 H ASN A 401 -6.397 7.186 9.091 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.307 6.076 9.267 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -9.300 8.913 9.180 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -10.458 7.598 9.149 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.268 8.393 12.562 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.850 9.128 11.011 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.023 6.251 6.450 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.357 5.740 5.129 1.00 0.13 C ATOM 1236 C ILE A 402 -8.584 4.244 5.212 1.00 0.13 C ATOM 1237 O ILE A 402 -9.550 3.714 4.672 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.222 6.030 4.125 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.056 7.539 3.962 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.489 5.363 2.778 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.797 7.933 3.229 1.00 0.14 C ATOM 0 H ILE A 402 -7.022 6.293 6.640 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.263 6.238 4.783 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.295 5.610 4.516 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.918 7.935 3.425 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.053 8.004 4.948 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.671 5.586 2.093 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.563 4.284 2.915 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.423 5.742 2.363 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.746 9.019 3.151 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.928 7.568 3.776 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.806 7.497 2.230 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.696 3.582 5.930 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.727 2.141 6.051 1.00 0.14 C ATOM 1255 C ILE A 403 -7.563 1.733 7.508 1.00 0.17 C ATOM 1256 O ILE A 403 -6.775 2.329 8.240 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.610 1.498 5.194 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.881 1.740 3.705 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.482 0.008 5.478 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.747 1.316 2.800 1.00 0.20 C ATOM 0 H ILE A 403 -6.936 4.029 6.443 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.692 1.786 5.688 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.664 1.969 5.462 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.784 1.201 3.418 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.080 2.800 3.549 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.689 -0.413 4.860 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.241 -0.142 6.530 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.424 -0.489 5.247 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.014 1.519 1.763 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.847 1.874 3.059 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.561 0.249 2.925 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.343 0.756 7.929 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.193 0.167 9.248 1.00 0.18 C ATOM 1274 C ARG A 404 -8.362 -1.335 9.138 1.00 0.20 C ATOM 1275 O ARG A 404 -9.021 -1.816 8.224 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.213 0.741 10.235 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.654 0.525 9.838 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.521 0.298 11.060 1.00 0.76 C ATOM 1279 NE ARG A 404 -11.206 -0.969 11.722 1.00 1.16 N ATOM 1280 CZ ARG A 404 -11.701 -1.349 12.899 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -12.512 -0.552 13.581 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -11.366 -2.525 13.405 1.00 2.08 N ATOM 0 H ARG A 404 -9.094 0.350 7.371 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.199 0.405 9.627 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -9.047 0.291 11.214 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.035 1.811 10.342 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.017 1.391 9.285 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.727 -0.333 9.170 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -11.381 1.120 11.762 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -12.571 0.304 10.767 1.00 0.76 H new ATOM 0 HE ARG A 404 -10.563 -1.605 11.250 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.763 0.363 13.205 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -12.885 -0.853 14.481 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -10.730 -3.138 12.894 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -11.743 -2.819 14.306 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.757 -2.072 10.050 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.838 -3.522 10.016 1.00 0.26 C ATOM 1298 C LYS A 405 -9.101 -4.005 10.706 1.00 0.27 C ATOM 1299 O LYS A 405 -9.446 -3.534 11.790 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.609 -4.146 10.672 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.320 -3.818 9.946 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.153 -4.639 10.466 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.936 -4.445 11.958 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.834 -5.298 12.464 1.00 1.73 N ATOM 0 H LYS A 405 -7.206 -1.694 10.821 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.871 -3.834 8.972 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.538 -3.798 11.703 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.734 -5.228 10.709 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.447 -4.003 8.879 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.098 -2.757 10.062 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -4.333 -5.694 10.261 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -3.246 -4.360 9.929 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.709 -3.398 12.160 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -4.855 -4.681 12.494 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.714 -5.140 13.485 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -3.062 -6.298 12.293 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.952 -5.055 11.970 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.798 -4.925 10.058 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.983 -5.532 10.621 1.00 0.27 C ATOM 1320 C GLU A 406 -10.672 -6.258 11.923 1.00 0.29 C ATOM 1321 O GLU A 406 -9.592 -6.835 12.088 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.601 -6.477 9.624 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.478 -5.754 8.632 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.337 -4.677 9.267 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.407 -5.005 9.817 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.939 -3.490 9.221 1.00 0.81 O ATOM 0 H GLU A 406 -9.555 -5.268 9.129 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.695 -4.738 10.849 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.813 -7.009 9.091 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.191 -7.226 10.152 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.850 -5.303 7.863 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.123 -6.477 8.133 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.636 -6.247 12.852 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.456 -6.732 14.224 1.00 0.38 C ATOM 1335 C PRO A 407 -10.987 -8.182 14.304 1.00 0.41 C ATOM 1336 O PRO A 407 -11.719 -9.111 13.951 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.857 -6.591 14.833 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.771 -6.537 13.666 1.00 0.48 C ATOM 1339 CD PRO A 407 -13.008 -5.774 12.633 1.00 0.45 C ATOM 0 HA PRO A 407 -10.679 -6.170 14.742 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -13.093 -7.434 15.482 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.936 -5.689 15.440 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -14.026 -7.537 13.314 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.707 -6.039 13.917 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.358 -5.992 11.624 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -13.095 -4.697 12.775 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.757 -8.355 14.769 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.228 -9.678 15.040 1.00 0.60 C ATOM 1349 C GLY A 408 -8.877 -10.467 13.793 1.00 0.56 C ATOM 1350 O GLY A 408 -8.613 -11.665 13.877 1.00 0.66 O ATOM 0 H GLY A 408 -9.109 -7.592 14.966 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.337 -9.582 15.660 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.961 -10.240 15.619 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.857 -9.818 12.638 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.552 -10.522 11.400 1.00 0.52 C ATOM 1356 C GLN A 409 -7.153 -10.185 10.888 1.00 0.48 C ATOM 1357 O GLN A 409 -6.618 -9.119 11.194 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.599 -10.230 10.324 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.986 -10.749 10.677 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.945 -10.707 9.504 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -12.040 -11.664 8.736 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.663 -9.607 9.359 1.00 1.10 N ATOM 0 H GLN A 409 -9.045 -8.821 12.531 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.578 -11.588 11.625 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.652 -9.154 10.161 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.279 -10.679 9.384 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.904 -11.775 11.037 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.394 -10.155 11.495 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.554 -8.836 10.018 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.326 -9.529 8.588 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.573 -11.120 10.134 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.221 -10.982 9.573 1.00 0.41 C ATOM 1373 C ARG A 410 -5.035 -9.711 8.726 1.00 0.34 C ATOM 1374 O ARG A 410 -4.830 -8.619 9.260 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.835 -12.232 8.752 1.00 0.45 C ATOM 1376 CG ARG A 410 -6.002 -13.043 8.167 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.961 -12.196 7.338 1.00 0.62 C ATOM 1378 NE ARG A 410 -7.845 -13.003 6.499 1.00 0.96 N ATOM 1379 CZ ARG A 410 -9.086 -13.371 6.838 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -9.560 -13.111 8.049 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -9.842 -14.036 5.975 1.00 2.29 N ATOM 0 H ARG A 410 -7.027 -12.000 9.892 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.551 -10.888 10.428 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.190 -11.918 7.931 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.244 -12.891 9.388 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.604 -13.845 7.545 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.553 -13.514 8.981 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.563 -11.579 8.005 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -6.387 -11.517 6.707 1.00 0.62 H new ATOM 0 HE ARG A 410 -7.491 -13.307 5.592 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -8.977 -12.626 8.732 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -10.507 -13.396 8.298 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -9.478 -14.268 5.051 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -10.788 -14.316 6.235 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.093 -9.862 7.408 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.914 -8.742 6.494 1.00 0.15 C ATOM 1397 C LEU A 411 -6.259 -8.268 5.960 1.00 0.11 C ATOM 1398 O LEU A 411 -6.363 -7.794 4.827 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.968 -9.109 5.340 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.503 -9.317 5.742 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -2.037 -10.731 5.417 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.620 -8.300 5.037 1.00 0.16 C ATOM 0 H LEU A 411 -5.264 -10.756 6.947 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.456 -7.925 7.051 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.332 -10.022 4.868 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -4.014 -8.321 4.588 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.424 -9.176 6.820 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.995 -10.848 5.714 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.651 -11.450 5.959 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.131 -10.908 4.346 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.581 -8.456 5.329 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.716 -8.421 3.958 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.929 -7.293 5.318 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.296 -8.442 6.768 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.610 -7.920 6.439 1.00 0.10 C ATOM 1416 C LEU A 412 -8.698 -6.475 6.866 1.00 0.09 C ATOM 1417 O LEU A 412 -8.516 -6.151 8.038 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.705 -8.719 7.127 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.861 -9.128 6.229 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.119 -8.068 5.189 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.564 -10.451 5.570 1.00 0.15 C ATOM 0 H LEU A 412 -7.250 -8.941 7.656 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.752 -8.001 5.361 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.263 -9.618 7.557 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.099 -8.130 7.955 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.757 -9.236 6.840 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.950 -8.376 4.554 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.368 -7.128 5.682 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.226 -7.932 4.578 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.399 -10.734 4.929 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.659 -10.363 4.969 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.419 -11.214 6.335 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.973 -5.615 5.913 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.956 -4.179 6.160 1.00 0.10 C ATOM 1435 C PHE A 413 -10.270 -3.549 5.725 1.00 0.09 C ATOM 1436 O PHE A 413 -11.153 -4.223 5.200 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.809 -3.483 5.412 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.449 -4.104 5.570 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.127 -4.875 6.672 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.487 -3.909 4.597 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.877 -5.440 6.801 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.237 -4.468 4.720 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.930 -5.236 5.823 1.00 0.14 C ATOM 0 H PHE A 413 -9.212 -5.878 4.957 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.809 -4.045 7.232 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.055 -3.459 4.350 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.756 -2.448 5.750 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.866 -5.037 7.443 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.720 -3.310 3.729 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.641 -6.041 7.667 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.495 -4.305 3.952 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.949 -5.677 5.920 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.367 -2.248 5.926 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.567 -1.497 5.615 1.00 0.10 C ATOM 1455 C ARG A 414 -11.210 -0.147 5.012 1.00 0.09 C ATOM 1456 O ARG A 414 -10.490 0.643 5.634 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.373 -1.285 6.894 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.598 -0.412 6.724 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.303 -0.207 8.051 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.682 -1.475 8.670 1.00 0.99 N ATOM 1461 CZ ARG A 414 -15.899 -1.741 9.139 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.841 -0.800 9.141 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.165 -2.945 9.627 1.00 2.09 N ATOM 0 H ARG A 414 -9.612 -1.681 6.311 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.157 -2.058 4.891 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.685 -2.256 7.278 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.725 -0.838 7.647 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.307 0.553 6.309 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.282 -0.873 6.011 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.650 0.346 8.727 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.194 0.403 7.898 1.00 0.35 H new ATOM 0 HE ARG A 414 -13.970 -2.201 8.748 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.632 0.131 8.782 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.771 -1.011 9.502 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.439 -3.661 9.642 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.096 -3.155 9.988 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.694 0.112 3.806 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.571 1.435 3.214 1.00 0.11 C ATOM 1479 C PHE A 415 -12.623 2.354 3.812 1.00 0.12 C ATOM 1480 O PHE A 415 -13.784 2.339 3.404 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.726 1.402 1.690 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.455 1.120 0.940 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.493 2.108 0.804 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.228 -0.115 0.355 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.330 1.872 0.103 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.061 -0.360 -0.348 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.111 0.636 -0.473 1.00 0.21 C ATOM 0 H PHE A 415 -12.173 -0.573 3.221 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.571 1.807 3.435 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.463 0.643 1.429 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.124 2.361 1.357 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.657 3.076 1.253 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.969 -0.895 0.448 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.591 2.653 0.004 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.893 -1.327 -0.798 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.199 0.448 -1.020 1.00 0.21 H new ATOM 1497 N MET A 416 -12.215 3.134 4.798 1.00 0.14 N ATOM 1498 CA MET A 416 -13.116 4.070 5.453 1.00 0.17 C ATOM 1499 C MET A 416 -13.602 5.111 4.457 1.00 0.20 C ATOM 1500 O MET A 416 -14.758 5.536 4.491 1.00 0.29 O ATOM 1501 CB MET A 416 -12.419 4.756 6.629 1.00 0.23 C ATOM 1502 CG MET A 416 -11.984 3.800 7.729 1.00 0.30 C ATOM 1503 SD MET A 416 -13.372 2.998 8.553 1.00 1.30 S ATOM 1504 CE MET A 416 -14.208 4.409 9.269 1.00 1.23 C ATOM 0 H MET A 416 -11.263 3.138 5.164 1.00 0.14 H new ATOM 0 HA MET A 416 -13.973 3.514 5.834 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.544 5.291 6.259 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.092 5.501 7.053 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.331 3.038 7.303 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.397 4.347 8.467 1.00 0.30 H new ATOM 0 HE1 MET A 416 -14.841 4.078 10.092 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.470 5.119 9.642 1.00 1.23 H new ATOM 0 HE3 MET A 416 -14.823 4.891 8.510 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.712 5.506 3.562 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.046 6.455 2.520 1.00 0.21 C ATOM 1516 C LYS A 417 -12.375 6.078 1.212 1.00 0.22 C ATOM 1517 O LYS A 417 -11.362 5.379 1.190 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.650 7.871 2.925 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.234 7.991 3.450 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.843 9.446 3.646 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.766 9.601 4.703 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.307 9.400 6.073 1.00 0.61 N ATOM 0 H LYS A 417 -11.746 5.180 3.539 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.126 6.426 2.377 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.764 8.529 2.063 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.341 8.225 3.690 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.148 7.458 4.397 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.543 7.517 2.753 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.487 9.858 2.701 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.722 10.023 3.935 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -8.968 8.882 4.518 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.323 10.594 4.629 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.590 9.678 6.773 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.159 9.984 6.199 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.551 8.398 6.206 1.00 0.61 H new ATOM 1536 N THR A 418 -12.957 6.561 0.134 1.00 0.24 N ATOM 1537 CA THR A 418 -12.503 6.250 -1.210 1.00 0.26 C ATOM 1538 C THR A 418 -11.626 7.374 -1.762 1.00 0.23 C ATOM 1539 O THR A 418 -11.543 8.440 -1.151 1.00 0.21 O ATOM 1540 CB THR A 418 -13.716 6.026 -2.137 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.633 7.123 -2.021 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.422 4.722 -1.799 1.00 0.40 C ATOM 0 H THR A 418 -13.764 7.185 0.163 1.00 0.24 H new ATOM 0 HA THR A 418 -11.908 5.338 -1.169 1.00 0.26 H new ATOM 0 HB THR A 418 -13.355 5.966 -3.164 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.958 7.181 -1.098 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.274 4.586 -2.466 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.728 3.890 -1.922 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.771 4.754 -0.767 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.953 7.144 -2.916 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.113 8.147 -3.587 1.00 0.24 C ATOM 1552 C PRO A 419 -10.664 9.570 -3.508 1.00 0.28 C ATOM 1553 O PRO A 419 -9.984 10.478 -3.031 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.132 7.661 -5.032 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.169 6.177 -4.921 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.935 5.860 -3.658 1.00 0.28 C ATOM 0 HA PRO A 419 -9.127 8.220 -3.128 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.001 8.041 -5.568 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.250 7.997 -5.576 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.655 5.735 -5.791 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.160 5.766 -4.876 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.944 5.513 -3.880 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.447 5.073 -3.082 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.902 9.743 -3.958 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.533 11.062 -4.031 1.00 0.43 C ATOM 1566 C ASP A 420 -12.590 11.733 -2.659 1.00 0.40 C ATOM 1567 O ASP A 420 -12.299 12.924 -2.524 1.00 0.44 O ATOM 1568 CB ASP A 420 -13.943 10.930 -4.610 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.616 12.269 -4.825 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.379 12.891 -5.881 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.400 12.695 -3.952 1.00 0.85 O ATOM 0 H ASP A 420 -12.496 8.980 -4.281 1.00 0.34 H new ATOM 0 HA ASP A 420 -11.928 11.691 -4.684 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -13.893 10.397 -5.560 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.552 10.326 -3.937 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.937 10.953 -1.644 1.00 0.35 N ATOM 1577 CA GLU A 421 -13.048 11.457 -0.282 1.00 0.35 C ATOM 1578 C GLU A 421 -11.688 11.877 0.268 1.00 0.32 C ATOM 1579 O GLU A 421 -11.581 12.836 1.031 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.656 10.392 0.621 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.103 10.089 0.301 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.604 8.854 1.014 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.377 7.734 0.504 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.215 8.994 2.095 1.00 0.51 O ATOM 0 H GLU A 421 -13.148 9.960 -1.740 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.695 12.334 -0.303 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.072 9.476 0.534 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.582 10.720 1.658 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.721 10.942 0.581 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.214 9.954 -0.775 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.652 11.148 -0.118 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.308 11.413 0.373 1.00 0.24 C ATOM 1593 C ILE A 422 -8.705 12.640 -0.311 1.00 0.29 C ATOM 1594 O ILE A 422 -7.843 13.314 0.255 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.381 10.197 0.156 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.067 8.919 0.648 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.056 10.407 0.884 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.335 7.648 0.278 1.00 0.18 C ATOM 0 H ILE A 422 -10.716 10.367 -0.771 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.390 11.606 1.443 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.177 10.094 -0.910 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.167 8.966 1.732 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.076 8.878 0.237 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.412 9.543 0.723 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.567 11.301 0.498 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.242 10.527 1.951 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.883 6.788 0.662 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.258 7.575 -0.807 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.335 7.664 0.712 1.00 0.18 H new ATOM 1610 N MET A 423 -9.177 12.936 -1.521 1.00 0.36 N ATOM 1611 CA MET A 423 -8.657 14.056 -2.304 1.00 0.46 C ATOM 1612 C MET A 423 -8.902 15.386 -1.608 1.00 0.55 C ATOM 1613 O MET A 423 -8.143 16.337 -1.783 1.00 0.71 O ATOM 1614 CB MET A 423 -9.295 14.091 -3.688 1.00 0.56 C ATOM 1615 CG MET A 423 -8.985 12.874 -4.536 1.00 0.59 C ATOM 1616 SD MET A 423 -9.723 12.981 -6.178 1.00 0.83 S ATOM 1617 CE MET A 423 -8.924 14.456 -6.814 1.00 1.83 C ATOM 0 H MET A 423 -9.922 12.413 -1.982 1.00 0.36 H new ATOM 0 HA MET A 423 -7.582 13.905 -2.402 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.376 14.179 -3.577 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.954 14.984 -4.212 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.905 12.766 -4.632 1.00 0.59 H new ATOM 0 HG3 MET A 423 -9.352 11.980 -4.032 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.940 14.437 -7.904 1.00 1.83 H new ATOM 0 HE2 MET A 423 -9.455 15.339 -6.458 1.00 1.83 H new ATOM 0 HE3 MET A 423 -7.891 14.489 -6.467 1.00 1.83 H new ATOM 1627 N SER A 424 -9.969 15.455 -0.831 1.00 0.60 N ATOM 1628 CA SER A 424 -10.283 16.654 -0.073 1.00 0.72 C ATOM 1629 C SER A 424 -9.650 16.582 1.315 1.00 0.74 C ATOM 1630 O SER A 424 -9.812 17.486 2.139 1.00 0.94 O ATOM 1631 CB SER A 424 -11.801 16.819 0.027 1.00 1.07 C ATOM 1632 OG SER A 424 -12.426 15.585 0.341 1.00 1.70 O ATOM 0 H SER A 424 -10.635 14.692 -0.708 1.00 0.60 H new ATOM 0 HA SER A 424 -9.872 17.523 -0.587 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.041 17.557 0.792 1.00 1.07 H new ATOM 0 HB3 SER A 424 -12.192 17.199 -0.917 1.00 1.07 H new ATOM 0 HG SER A 424 -13.395 15.715 0.401 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.904 15.506 1.550 1.00 0.81 N ATOM 1639 CA GLY A 425 -8.282 15.290 2.836 1.00 1.23 C ATOM 1640 C GLY A 425 -6.788 15.563 2.826 1.00 0.79 C ATOM 1641 O GLY A 425 -6.360 16.696 2.611 1.00 1.10 O ATOM 0 H GLY A 425 -8.721 14.776 0.862 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -8.758 15.933 3.576 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -8.456 14.260 3.149 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.992 14.517 3.037 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.562 14.679 3.288 1.00 0.47 C ATOM 1647 C ARG A 426 -3.715 13.965 2.238 1.00 0.40 C ATOM 1648 O ARG A 426 -2.766 13.259 2.580 1.00 0.47 O ATOM 1649 CB ARG A 426 -4.209 14.113 4.661 1.00 0.94 C ATOM 1650 CG ARG A 426 -5.187 14.484 5.748 1.00 1.03 C ATOM 1651 CD ARG A 426 -5.317 15.985 5.919 1.00 1.41 C ATOM 1652 NE ARG A 426 -6.346 16.331 6.895 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.905 17.533 6.996 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -6.534 18.518 6.187 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.836 17.752 7.910 1.00 2.85 N ATOM 0 H ARG A 426 -6.313 13.549 3.039 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.345 15.746 3.243 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -4.154 13.027 4.591 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -3.217 14.465 4.944 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -6.164 14.061 5.514 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -4.865 14.040 6.690 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -4.360 16.399 6.237 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.558 16.441 4.959 1.00 1.41 H new ATOM 0 HE ARG A 426 -6.656 15.604 7.540 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.815 18.355 5.482 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.968 19.437 6.271 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -8.124 16.999 8.536 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -8.266 18.673 7.989 1.00 2.85 H new ATOM 1669 N THR A 427 -4.043 14.132 0.968 1.00 0.36 N ATOM 1670 CA THR A 427 -3.306 13.439 -0.076 1.00 0.33 C ATOM 1671 C THR A 427 -1.912 14.023 -0.263 1.00 0.37 C ATOM 1672 O THR A 427 -0.985 13.298 -0.600 1.00 0.38 O ATOM 1673 CB THR A 427 -4.042 13.470 -1.428 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.425 14.810 -1.749 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.265 12.571 -1.413 1.00 0.33 C ATOM 0 H THR A 427 -4.801 14.730 0.638 1.00 0.36 H new ATOM 0 HA THR A 427 -3.224 12.404 0.256 1.00 0.33 H new ATOM 0 HB THR A 427 -3.358 13.097 -2.190 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.784 15.190 -2.385 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.762 12.616 -2.382 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.960 11.545 -1.209 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.953 12.906 -0.637 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.757 15.317 -0.004 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.500 16.009 -0.295 1.00 0.54 C ATOM 1685 C ASP A 428 0.660 15.402 0.490 1.00 0.55 C ATOM 1686 O ASP A 428 1.795 15.366 0.010 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.620 17.510 -0.004 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.500 17.858 1.468 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.222 17.236 2.282 1.00 1.53 O ATOM 1690 OD2 ASP A 428 0.307 18.747 1.814 1.00 1.76 O ATOM 0 H ASP A 428 -2.481 15.908 0.405 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.292 15.881 -1.357 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.154 18.041 -0.558 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.580 17.867 -0.376 1.00 0.67 H new ATOM 1695 N ARG A 429 0.364 14.906 1.684 1.00 0.54 N ATOM 1696 CA ARG A 429 1.353 14.223 2.504 1.00 0.58 C ATOM 1697 C ARG A 429 1.732 12.900 1.860 1.00 0.45 C ATOM 1698 O ARG A 429 2.892 12.504 1.851 1.00 0.46 O ATOM 1699 CB ARG A 429 0.790 13.968 3.903 1.00 0.72 C ATOM 1700 CG ARG A 429 1.861 13.774 4.962 1.00 0.88 C ATOM 1701 CD ARG A 429 2.658 15.050 5.157 1.00 1.22 C ATOM 1702 NE ARG A 429 1.774 16.195 5.368 1.00 1.86 N ATOM 1703 CZ ARG A 429 1.804 17.309 4.635 1.00 2.48 C ATOM 1704 NH1 ARG A 429 2.764 17.491 3.736 1.00 2.68 N ATOM 1705 NH2 ARG A 429 0.892 18.254 4.821 1.00 3.43 N ATOM 0 H ARG A 429 -0.562 14.965 2.108 1.00 0.54 H new ATOM 0 HA ARG A 429 2.239 14.853 2.585 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.156 14.807 4.189 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.154 13.083 3.874 1.00 0.72 H new ATOM 0 HG2 ARG A 429 1.399 13.480 5.904 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.528 12.964 4.668 1.00 0.88 H new ATOM 0 HD2 ARG A 429 3.325 14.939 6.012 1.00 1.22 H new ATOM 0 HD3 ARG A 429 3.286 15.227 4.284 1.00 1.22 H new ATOM 0 HE ARG A 429 1.091 16.138 6.124 1.00 1.86 H new ATOM 0 HH11 ARG A 429 3.481 16.778 3.604 1.00 2.68 H new ATOM 0 HH12 ARG A 429 2.784 18.344 3.177 1.00 2.68 H new ATOM 0 HH21 ARG A 429 0.165 18.130 5.526 1.00 3.43 H new ATOM 0 HH22 ARG A 429 0.917 19.105 4.259 1.00 3.43 H new ATOM 1719 N LEU A 430 0.733 12.250 1.291 1.00 0.38 N ATOM 1720 CA LEU A 430 0.869 10.919 0.733 1.00 0.32 C ATOM 1721 C LEU A 430 1.572 10.957 -0.611 1.00 0.30 C ATOM 1722 O LEU A 430 2.539 10.237 -0.834 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.512 10.314 0.565 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.345 10.232 1.836 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.746 9.757 1.492 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.680 9.303 2.847 1.00 0.61 C ATOM 0 H LEU A 430 -0.207 12.637 1.203 1.00 0.38 H new ATOM 0 HA LEU A 430 1.470 10.314 1.412 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.060 10.901 -0.172 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.403 9.310 0.156 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.414 11.220 2.290 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.344 9.698 2.402 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.209 10.460 0.799 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.693 8.772 1.028 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.287 9.254 3.751 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.587 8.305 2.418 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.310 9.685 3.095 1.00 0.61 H new ATOM 1738 N GLU A 431 1.075 11.818 -1.496 1.00 0.31 N ATOM 1739 CA GLU A 431 1.631 11.973 -2.835 1.00 0.35 C ATOM 1740 C GLU A 431 3.118 12.275 -2.743 1.00 0.39 C ATOM 1741 O GLU A 431 3.918 11.839 -3.572 1.00 0.44 O ATOM 1742 CB GLU A 431 0.916 13.112 -3.565 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.601 13.036 -3.503 1.00 0.50 C ATOM 1744 CD GLU A 431 -1.274 14.207 -4.194 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -1.028 14.419 -5.401 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -2.055 14.927 -3.532 1.00 2.30 O ATOM 0 H GLU A 431 0.278 12.425 -1.305 1.00 0.31 H new ATOM 0 HA GLU A 431 1.487 11.046 -3.391 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.239 14.062 -3.138 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.226 13.110 -4.610 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.933 12.107 -3.965 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.917 13.004 -2.460 1.00 0.50 H new ATOM 1753 N HIS A 432 3.469 13.010 -1.705 1.00 0.39 N ATOM 1754 CA HIS A 432 4.846 13.355 -1.431 1.00 0.45 C ATOM 1755 C HIS A 432 5.571 12.210 -0.728 1.00 0.44 C ATOM 1756 O HIS A 432 6.728 11.919 -1.027 1.00 0.52 O ATOM 1757 CB HIS A 432 4.889 14.615 -0.577 1.00 0.50 C ATOM 1758 CG HIS A 432 6.273 15.079 -0.235 1.00 0.55 C ATOM 1759 ND1 HIS A 432 7.090 15.716 -1.141 1.00 0.87 N ATOM 1760 CD2 HIS A 432 6.990 14.981 0.910 1.00 0.70 C ATOM 1761 CE1 HIS A 432 8.248 15.988 -0.574 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.213 15.554 0.672 1.00 0.77 N ATOM 0 H HIS A 432 2.804 13.384 -1.028 1.00 0.39 H new ATOM 0 HA HIS A 432 5.357 13.538 -2.376 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.369 15.415 -1.104 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.340 14.433 0.347 1.00 0.50 H new ATOM 0 HD2 HIS A 432 6.660 14.535 1.837 1.00 0.70 H new ATOM 0 HE1 HIS A 432 9.083 16.482 -1.048 1.00 0.91 H new ATOM 0 HE2 HIS A 432 8.973 15.632 1.348 1.00 0.77 H new ATOM 1771 N LEU A 433 4.897 11.574 0.218 1.00 0.39 N ATOM 1772 CA LEU A 433 5.526 10.545 1.016 1.00 0.40 C ATOM 1773 C LEU A 433 5.837 9.298 0.235 1.00 0.36 C ATOM 1774 O LEU A 433 6.861 8.703 0.468 1.00 0.35 O ATOM 1775 CB LEU A 433 4.687 10.126 2.185 1.00 0.53 C ATOM 1776 CG LEU A 433 5.547 9.558 3.291 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.645 10.549 4.418 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.031 8.216 3.742 1.00 0.73 C ATOM 0 H LEU A 433 3.920 11.754 0.448 1.00 0.39 H new ATOM 0 HA LEU A 433 6.450 11.011 1.357 1.00 0.40 H new ATOM 0 HB2 LEU A 433 4.125 10.981 2.559 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.959 9.380 1.866 1.00 0.53 H new ATOM 0 HG LEU A 433 6.555 9.386 2.913 1.00 0.43 H new ATOM 0 HD11 LEU A 433 6.266 10.136 5.213 1.00 0.91 H new ATOM 0 HD12 LEU A 433 6.092 11.473 4.052 1.00 0.91 H new ATOM 0 HD13 LEU A 433 4.648 10.757 4.807 1.00 0.91 H new ATOM 0 HD21 LEU A 433 5.668 7.830 4.538 1.00 0.73 H new ATOM 0 HD22 LEU A 433 4.012 8.324 4.113 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.040 7.522 2.902 1.00 0.73 H new ATOM 1790 N GLU A 434 4.948 8.878 -0.647 1.00 0.40 N ATOM 1791 CA GLU A 434 5.112 7.587 -1.320 1.00 0.45 C ATOM 1792 C GLU A 434 6.483 7.425 -1.927 1.00 0.45 C ATOM 1793 O GLU A 434 7.144 6.426 -1.700 1.00 0.56 O ATOM 1794 CB GLU A 434 4.053 7.359 -2.363 1.00 0.66 C ATOM 1795 CG GLU A 434 2.702 7.271 -1.732 1.00 0.80 C ATOM 1796 CD GLU A 434 1.630 6.812 -2.682 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.787 7.004 -3.908 1.00 1.75 O ATOM 1798 OE2 GLU A 434 0.641 6.227 -2.204 1.00 1.47 O ATOM 0 H GLU A 434 4.113 9.399 -0.916 1.00 0.40 H new ATOM 0 HA GLU A 434 4.999 6.829 -0.545 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.069 8.172 -3.089 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.265 6.440 -2.909 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.747 6.584 -0.887 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.430 8.249 -1.334 1.00 0.80 H new ATOM 1805 N SER A 435 6.923 8.414 -2.660 1.00 0.46 N ATOM 1806 CA SER A 435 8.254 8.377 -3.222 1.00 0.53 C ATOM 1807 C SER A 435 9.316 8.315 -2.120 1.00 0.50 C ATOM 1808 O SER A 435 10.373 7.698 -2.275 1.00 0.58 O ATOM 1809 CB SER A 435 8.461 9.604 -4.064 1.00 0.62 C ATOM 1810 OG SER A 435 8.155 9.357 -5.426 1.00 1.01 O ATOM 0 H SER A 435 6.386 9.252 -2.883 1.00 0.46 H new ATOM 0 HA SER A 435 8.354 7.481 -3.834 1.00 0.53 H new ATOM 0 HB2 SER A 435 7.834 10.413 -3.690 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.495 9.936 -3.977 1.00 0.62 H new ATOM 0 HG SER A 435 8.298 10.175 -5.947 1.00 1.01 H new ATOM 1816 N GLN A 436 8.999 8.955 -1.013 1.00 0.43 N ATOM 1817 CA GLN A 436 9.873 9.079 0.116 1.00 0.48 C ATOM 1818 C GLN A 436 9.914 7.789 0.945 1.00 0.45 C ATOM 1819 O GLN A 436 10.983 7.346 1.320 1.00 0.51 O ATOM 1820 CB GLN A 436 9.412 10.274 0.936 1.00 0.52 C ATOM 1821 CG GLN A 436 9.528 10.042 2.399 1.00 0.77 C ATOM 1822 CD GLN A 436 9.042 11.210 3.233 1.00 0.77 C ATOM 1823 OE1 GLN A 436 9.507 11.430 4.351 1.00 1.27 O ATOM 1824 NE2 GLN A 436 8.109 11.982 2.696 1.00 1.38 N ATOM 0 H GLN A 436 8.098 9.414 -0.879 1.00 0.43 H new ATOM 0 HA GLN A 436 10.897 9.243 -0.221 1.00 0.48 H new ATOM 0 HB2 GLN A 436 10.004 11.148 0.662 1.00 0.52 H new ATOM 0 HB3 GLN A 436 8.375 10.501 0.689 1.00 0.52 H new ATOM 0 HG2 GLN A 436 8.957 9.153 2.665 1.00 0.77 H new ATOM 0 HG3 GLN A 436 10.570 9.837 2.646 1.00 0.77 H new ATOM 0 HE21 GLN A 436 7.745 11.771 1.767 1.00 1.38 H new ATOM 0 HE22 GLN A 436 7.754 12.787 3.212 1.00 1.38 H new ATOM 1833 N VAL A 437 8.750 7.190 1.216 1.00 0.38 N ATOM 1834 CA VAL A 437 8.666 5.944 1.993 1.00 0.38 C ATOM 1835 C VAL A 437 9.385 4.816 1.266 1.00 0.42 C ATOM 1836 O VAL A 437 9.900 3.882 1.876 1.00 0.49 O ATOM 1837 CB VAL A 437 7.191 5.549 2.298 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.309 5.713 1.082 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.087 4.119 2.805 1.00 0.38 C ATOM 0 H VAL A 437 7.846 7.549 0.908 1.00 0.38 H new ATOM 0 HA VAL A 437 9.159 6.118 2.949 1.00 0.38 H new ATOM 0 HB VAL A 437 6.845 6.226 3.079 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.287 5.428 1.333 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.326 6.753 0.758 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.676 5.076 0.277 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.043 3.880 3.007 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.476 3.436 2.050 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.667 4.015 3.722 1.00 0.38 H new ATOM 1849 N LEU A 438 9.460 4.946 -0.043 1.00 0.41 N ATOM 1850 CA LEU A 438 10.186 4.003 -0.874 1.00 0.48 C ATOM 1851 C LEU A 438 11.690 4.206 -0.720 1.00 0.55 C ATOM 1852 O LEU A 438 12.492 3.483 -1.313 1.00 0.62 O ATOM 1853 CB LEU A 438 9.777 4.209 -2.325 1.00 0.48 C ATOM 1854 CG LEU A 438 8.273 4.091 -2.568 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.912 4.425 -4.003 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.771 2.711 -2.186 1.00 0.54 C ATOM 0 H LEU A 438 9.021 5.707 -0.562 1.00 0.41 H new ATOM 0 HA LEU A 438 9.946 2.986 -0.564 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.111 5.194 -2.650 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.294 3.477 -2.945 1.00 0.48 H new ATOM 0 HG LEU A 438 7.777 4.822 -1.929 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.835 4.330 -4.139 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.217 5.447 -4.227 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.424 3.738 -4.676 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.698 2.651 -2.368 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.283 1.959 -2.786 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.971 2.531 -1.130 1.00 0.54 H new