USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 NoAdj-H: A 382 HIS HE2 : A 382 HIS NE2 : A 402 ZNZN :(H bumps) USER MOD Set 1.1: A 364 ASN : amide:sc= 2.18 K(o=2.8,f=-3.6!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.626 K(o=2.8,f=1.6) USER MOD Set 2.1: A 353 LYS NZ :NH3+ -177:sc= 0.781 (180deg=-0.381) USER MOD Set 2.2: A 358 ASN : amide:sc= 0.284 K(o=1.1,f=-4.1) USER MOD Single : A 324 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 327 CYS SG : rot 180:sc= 0.459 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 334 SER OG : rot 180:sc= 0 USER MOD Single : A 335 ASN : amide:sc= -2.26! C(o=-2.3!,f=-8.3!) USER MOD Single : A 340 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 341 THR OG1 : rot -145:sc= -0.92! USER MOD Single : A 342 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.93) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 348 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 350 THR OG1 : rot -17:sc= 1.11 USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 359 HIS : no HD1:sc= 0.655 K(o=0.66,f=-2.7!) USER MOD Single : A 360 MET CE :methyl -123:sc= -0.736 (180deg=-2.63) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.508 F(o=-3.7!,f=-0.51) USER MOD Single : A 368 LYS NZ :NH3+ 138:sc= -1.19! (180deg=-4.56!) USER MOD Single : A 384 SER OG : rot 53:sc= 0.0962 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 390 ASN : amide:sc= 0.492 K(o=0.49,f=-5.4!) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 8.999 -0.751 -17.928 1.00 0.00 N ATOM 2 CA GLY A 323 8.125 -0.052 -18.887 1.00 0.00 C ATOM 3 C GLY A 323 7.828 1.361 -18.444 1.00 0.00 C ATOM 4 O GLY A 323 8.747 2.121 -18.144 1.00 0.00 O ATOM 0 HA2 GLY A 323 8.601 -0.034 -19.867 1.00 0.00 H new ATOM 0 HA3 GLY A 323 7.191 -0.603 -18.997 1.00 0.00 H new ATOM 10 N SER A 324 6.549 1.714 -18.391 1.00 0.00 N ATOM 11 CA SER A 324 6.132 3.039 -17.962 1.00 0.00 C ATOM 12 C SER A 324 4.619 3.093 -17.781 1.00 0.00 C ATOM 13 O SER A 324 3.870 2.460 -18.531 1.00 0.00 O ATOM 14 CB SER A 324 6.578 4.107 -18.974 1.00 0.00 C ATOM 15 OG SER A 324 6.210 5.415 -18.546 1.00 0.00 O ATOM 0 H SER A 324 5.779 1.094 -18.642 1.00 0.00 H new ATOM 0 HA SER A 324 6.609 3.247 -17.004 1.00 0.00 H new ATOM 0 HB2 SER A 324 7.659 4.056 -19.106 1.00 0.00 H new ATOM 0 HB3 SER A 324 6.128 3.900 -19.945 1.00 0.00 H new ATOM 0 HG SER A 324 6.508 6.072 -19.209 1.00 0.00 H new ATOM 21 N LYS A 325 4.178 3.827 -16.776 1.00 0.00 N ATOM 22 CA LYS A 325 2.759 4.012 -16.523 1.00 0.00 C ATOM 23 C LYS A 325 2.426 5.494 -16.538 1.00 0.00 C ATOM 24 O LYS A 325 1.309 5.898 -16.216 1.00 0.00 O ATOM 25 CB LYS A 325 2.357 3.403 -15.172 1.00 0.00 C ATOM 26 CG LYS A 325 3.014 4.074 -13.972 1.00 0.00 C ATOM 27 CD LYS A 325 2.423 3.577 -12.665 1.00 0.00 C ATOM 28 CE LYS A 325 3.082 4.249 -11.470 1.00 0.00 C ATOM 29 NZ LYS A 325 2.431 3.869 -10.192 1.00 0.00 N1+ ATOM 0 H LYS A 325 4.788 4.309 -16.116 1.00 0.00 H new ATOM 0 HA LYS A 325 2.200 3.502 -17.308 1.00 0.00 H new ATOM 0 HB2 LYS A 325 1.274 3.467 -15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 325 2.616 2.344 -15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 325 4.086 3.878 -13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 325 2.887 5.154 -14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 325 1.351 3.774 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 325 2.550 2.497 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 325 4.136 3.975 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 325 3.038 5.331 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 2.910 4.348 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 1.431 4.153 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 2.496 2.839 -10.062 1.00 0.00 H new ATOM 43 N LYS A 326 3.404 6.300 -16.916 1.00 0.00 N ATOM 44 CA LYS A 326 3.236 7.741 -16.930 1.00 0.00 C ATOM 45 C LYS A 326 2.397 8.192 -18.111 1.00 0.00 C ATOM 46 O LYS A 326 2.674 7.844 -19.261 1.00 0.00 O ATOM 47 CB LYS A 326 4.595 8.449 -16.944 1.00 0.00 C ATOM 48 CG LYS A 326 5.433 8.232 -15.685 1.00 0.00 C ATOM 49 CD LYS A 326 4.683 8.650 -14.418 1.00 0.00 C ATOM 50 CE LYS A 326 4.230 10.106 -14.477 1.00 0.00 C ATOM 51 NZ LYS A 326 3.459 10.498 -13.270 1.00 0.00 N1+ ATOM 0 H LYS A 326 4.324 5.979 -17.218 1.00 0.00 H new ATOM 0 HA LYS A 326 2.708 8.016 -16.017 1.00 0.00 H new ATOM 0 HB2 LYS A 326 5.163 8.102 -17.808 1.00 0.00 H new ATOM 0 HB3 LYS A 326 4.432 9.518 -17.078 1.00 0.00 H new ATOM 0 HG2 LYS A 326 5.711 7.181 -15.611 1.00 0.00 H new ATOM 0 HG3 LYS A 326 6.359 8.802 -15.763 1.00 0.00 H new ATOM 0 HD2 LYS A 326 3.815 8.005 -14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 326 5.327 8.505 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 326 5.101 10.753 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 326 3.616 10.259 -15.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 3.171 11.494 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 2.613 9.898 -13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 4.052 10.377 -12.425 1.00 0.00 H new ATOM 65 N CYS A 327 1.368 8.952 -17.819 1.00 0.00 N ATOM 66 CA CYS A 327 0.506 9.497 -18.839 1.00 0.00 C ATOM 67 C CYS A 327 0.188 10.945 -18.504 1.00 0.00 C ATOM 68 O CYS A 327 0.059 11.301 -17.331 1.00 0.00 O ATOM 69 CB CYS A 327 -0.784 8.678 -18.948 1.00 0.00 C ATOM 70 SG CYS A 327 -1.894 9.211 -20.272 1.00 0.00 S ATOM 0 H CYS A 327 1.105 9.209 -16.868 1.00 0.00 H new ATOM 0 HA CYS A 327 1.016 9.452 -19.801 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -0.524 7.632 -19.107 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -1.317 8.733 -17.999 1.00 0.00 H new ATOM 0 HG CYS A 327 -2.952 8.456 -20.282 1.00 0.00 H new ATOM 76 N ASP A 328 0.079 11.778 -19.521 1.00 0.00 N ATOM 77 CA ASP A 328 -0.212 13.194 -19.316 1.00 0.00 C ATOM 78 C ASP A 328 -1.694 13.414 -19.042 1.00 0.00 C ATOM 79 O ASP A 328 -2.085 14.439 -18.472 1.00 0.00 O ATOM 80 CB ASP A 328 0.226 14.029 -20.530 1.00 0.00 C ATOM 81 CG ASP A 328 -0.621 13.776 -21.762 1.00 0.00 C ATOM 82 OD1 ASP A 328 -0.378 12.769 -22.463 1.00 0.00 O ATOM 83 OD2 ASP A 328 -1.527 14.581 -22.041 1.00 0.00 O1- ATOM 0 H ASP A 328 0.186 11.505 -20.498 1.00 0.00 H new ATOM 0 HA ASP A 328 0.355 13.522 -18.445 1.00 0.00 H new ATOM 0 HB2 ASP A 328 0.176 15.087 -20.273 1.00 0.00 H new ATOM 0 HB3 ASP A 328 1.268 13.806 -20.760 1.00 0.00 H new ATOM 88 N ASP A 329 -2.514 12.448 -19.439 1.00 0.00 N ATOM 89 CA ASP A 329 -3.956 12.540 -19.249 1.00 0.00 C ATOM 90 C ASP A 329 -4.580 11.159 -19.108 1.00 0.00 C ATOM 91 O ASP A 329 -4.853 10.478 -20.104 1.00 0.00 O ATOM 92 CB ASP A 329 -4.612 13.307 -20.407 1.00 0.00 C ATOM 93 CG ASP A 329 -6.132 13.262 -20.360 1.00 0.00 C ATOM 94 OD1 ASP A 329 -6.716 13.614 -19.315 1.00 0.00 O ATOM 95 OD2 ASP A 329 -6.749 12.883 -21.377 1.00 0.00 O1- ATOM 0 H ASP A 329 -2.204 11.590 -19.895 1.00 0.00 H new ATOM 0 HA ASP A 329 -4.134 13.090 -18.325 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -4.283 14.346 -20.381 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -4.270 12.888 -21.354 1.00 0.00 H new ATOM 100 N ASP A 330 -4.773 10.737 -17.876 1.00 0.00 N ATOM 101 CA ASP A 330 -5.412 9.458 -17.596 1.00 0.00 C ATOM 102 C ASP A 330 -6.752 9.699 -16.928 1.00 0.00 C ATOM 103 O ASP A 330 -6.937 10.709 -16.247 1.00 0.00 O ATOM 104 CB ASP A 330 -4.524 8.562 -16.708 1.00 0.00 C ATOM 105 CG ASP A 330 -4.377 9.073 -15.286 1.00 0.00 C ATOM 106 OD1 ASP A 330 -3.456 9.887 -15.027 1.00 0.00 O1- ATOM 107 OD2 ASP A 330 -5.170 8.661 -14.422 1.00 0.00 O ATOM 0 H ASP A 330 -4.497 11.260 -17.045 1.00 0.00 H new ATOM 0 HA ASP A 330 -5.562 8.935 -18.541 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -4.946 7.557 -16.683 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -3.536 8.481 -17.161 1.00 0.00 H new ATOM 112 N SER A 331 -7.686 8.793 -17.132 1.00 0.00 N ATOM 113 CA SER A 331 -9.017 8.932 -16.565 1.00 0.00 C ATOM 114 C SER A 331 -9.112 8.221 -15.221 1.00 0.00 C ATOM 115 O SER A 331 -10.169 8.195 -14.592 1.00 0.00 O ATOM 116 CB SER A 331 -10.051 8.368 -17.531 1.00 0.00 C ATOM 117 OG SER A 331 -9.868 8.903 -18.830 1.00 0.00 O ATOM 0 H SER A 331 -7.550 7.949 -17.688 1.00 0.00 H new ATOM 0 HA SER A 331 -9.215 9.992 -16.404 1.00 0.00 H new ATOM 0 HB2 SER A 331 -9.969 7.282 -17.565 1.00 0.00 H new ATOM 0 HB3 SER A 331 -11.054 8.601 -17.174 1.00 0.00 H new ATOM 0 HG SER A 331 -10.540 8.527 -19.436 1.00 0.00 H new ATOM 123 N GLU A 332 -7.997 7.675 -14.771 1.00 0.00 N ATOM 124 CA GLU A 332 -7.956 6.934 -13.523 1.00 0.00 C ATOM 125 C GLU A 332 -7.510 7.846 -12.388 1.00 0.00 C ATOM 126 O GLU A 332 -6.923 7.398 -11.404 1.00 0.00 O ATOM 127 CB GLU A 332 -6.994 5.752 -13.641 1.00 0.00 C ATOM 128 CG GLU A 332 -7.172 4.913 -14.902 1.00 0.00 C ATOM 129 CD GLU A 332 -8.607 4.476 -15.132 1.00 0.00 C ATOM 130 OE1 GLU A 332 -9.110 3.644 -14.361 1.00 0.00 O ATOM 131 OE2 GLU A 332 -9.228 4.948 -16.112 1.00 0.00 O1- ATOM 0 H GLU A 332 -7.101 7.732 -15.255 1.00 0.00 H new ATOM 0 HA GLU A 332 -8.956 6.558 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -5.971 6.128 -13.612 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -7.122 5.108 -12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -6.831 5.487 -15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -6.536 4.030 -14.836 1.00 0.00 H new ATOM 138 N THR A 333 -7.806 9.120 -12.532 1.00 0.00 N ATOM 139 CA THR A 333 -7.423 10.126 -11.571 1.00 0.00 C ATOM 140 C THR A 333 -7.966 9.824 -10.172 1.00 0.00 C ATOM 141 O THR A 333 -7.244 9.927 -9.188 1.00 0.00 O ATOM 142 CB THR A 333 -7.910 11.504 -12.030 1.00 0.00 C ATOM 143 OG1 THR A 333 -9.270 11.407 -12.484 1.00 0.00 O ATOM 144 CG2 THR A 333 -7.035 12.036 -13.153 1.00 0.00 C ATOM 0 H THR A 333 -8.325 9.488 -13.329 1.00 0.00 H new ATOM 0 HA THR A 333 -6.335 10.120 -11.511 1.00 0.00 H new ATOM 0 HB THR A 333 -7.851 12.193 -11.187 1.00 0.00 H new ATOM 0 HG1 THR A 333 -9.581 12.289 -12.776 1.00 0.00 H new ATOM 0 HG21 THR A 333 -7.398 13.015 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 333 -6.007 12.125 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 333 -7.072 11.350 -13.999 1.00 0.00 H new ATOM 152 N SER A 334 -9.227 9.449 -10.093 1.00 0.00 N ATOM 153 CA SER A 334 -9.838 9.136 -8.816 1.00 0.00 C ATOM 154 C SER A 334 -10.683 7.887 -8.898 1.00 0.00 C ATOM 155 O SER A 334 -11.702 7.766 -8.213 1.00 0.00 O ATOM 156 CB SER A 334 -10.682 10.298 -8.327 1.00 0.00 C ATOM 157 OG SER A 334 -9.901 11.473 -8.162 1.00 0.00 O ATOM 0 H SER A 334 -9.848 9.354 -10.896 1.00 0.00 H new ATOM 0 HA SER A 334 -9.032 8.956 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 334 -11.486 10.490 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 334 -11.151 10.035 -7.379 1.00 0.00 H new ATOM 0 HG SER A 334 -10.473 12.204 -7.848 1.00 0.00 H new ATOM 163 N ASN A 335 -10.248 6.944 -9.702 1.00 0.00 N ATOM 164 CA ASN A 335 -10.968 5.692 -9.838 1.00 0.00 C ATOM 165 C ASN A 335 -10.906 4.907 -8.536 1.00 0.00 C ATOM 166 O ASN A 335 -11.834 4.178 -8.188 1.00 0.00 O ATOM 167 CB ASN A 335 -10.406 4.843 -10.988 1.00 0.00 C ATOM 168 CG ASN A 335 -8.959 4.427 -10.768 1.00 0.00 C ATOM 169 OD1 ASN A 335 -8.168 5.170 -10.209 1.00 0.00 O ATOM 170 ND2 ASN A 335 -8.622 3.236 -11.188 1.00 0.00 N ATOM 0 H ASN A 335 -9.404 7.016 -10.270 1.00 0.00 H new ATOM 0 HA ASN A 335 -12.007 5.928 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -11.021 3.951 -11.108 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -10.479 5.407 -11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -7.669 2.898 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -9.312 2.644 -11.651 1.00 0.00 H new ATOM 177 N TRP A 336 -9.815 5.084 -7.812 1.00 0.00 N ATOM 178 CA TRP A 336 -9.618 4.400 -6.539 1.00 0.00 C ATOM 179 C TRP A 336 -9.918 5.334 -5.374 1.00 0.00 C ATOM 180 O TRP A 336 -10.464 4.921 -4.357 1.00 0.00 O ATOM 181 CB TRP A 336 -8.189 3.820 -6.434 1.00 0.00 C ATOM 182 CG TRP A 336 -7.081 4.837 -6.591 1.00 0.00 C ATOM 183 CD1 TRP A 336 -6.641 5.396 -7.754 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.266 5.391 -5.551 1.00 0.00 C ATOM 185 NE1 TRP A 336 -5.621 6.275 -7.501 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.366 6.289 -6.159 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.213 5.224 -4.167 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.427 7.013 -5.434 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.277 5.943 -3.446 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.399 6.828 -4.082 1.00 0.00 C ATOM 0 H TRP A 336 -9.047 5.698 -8.083 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.317 3.565 -6.492 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.080 3.331 -5.466 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.067 3.050 -7.196 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.039 5.177 -8.734 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.131 6.830 -8.202 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -6.890 4.546 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.746 7.695 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.223 5.819 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.683 7.377 -3.489 1.00 0.00 H new ATOM 201 N ILE A 337 -9.583 6.598 -5.547 1.00 0.00 N ATOM 202 CA ILE A 337 -9.808 7.622 -4.528 1.00 0.00 C ATOM 203 C ILE A 337 -11.304 7.784 -4.230 1.00 0.00 C ATOM 204 O ILE A 337 -11.690 8.250 -3.165 1.00 0.00 O ATOM 205 CB ILE A 337 -9.215 8.977 -4.985 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.731 8.814 -5.296 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.416 10.050 -3.919 1.00 0.00 C ATOM 208 CD1 ILE A 337 -7.141 9.965 -6.075 1.00 0.00 C ATOM 0 H ILE A 337 -9.146 6.951 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.306 7.301 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.738 9.295 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.183 8.702 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.587 7.893 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.990 10.992 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.482 10.181 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.920 9.745 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -6.083 9.776 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -7.662 10.065 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -7.252 10.886 -5.503 1.00 0.00 H new ATOM 220 N ALA A 338 -12.132 7.357 -5.177 1.00 0.00 N ATOM 221 CA ALA A 338 -13.585 7.451 -5.063 1.00 0.00 C ATOM 222 C ALA A 338 -14.110 6.824 -3.767 1.00 0.00 C ATOM 223 O ALA A 338 -15.115 7.273 -3.220 1.00 0.00 O ATOM 224 CB ALA A 338 -14.242 6.791 -6.266 1.00 0.00 C ATOM 0 H ALA A 338 -11.814 6.934 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.842 8.510 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.326 6.865 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -13.920 7.294 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -13.952 5.741 -6.309 1.00 0.00 H new ATOM 230 N ALA A 339 -13.433 5.786 -3.281 1.00 0.00 N ATOM 231 CA ALA A 339 -13.872 5.118 -2.058 1.00 0.00 C ATOM 232 C ALA A 339 -12.707 4.523 -1.270 1.00 0.00 C ATOM 233 O ALA A 339 -12.917 3.747 -0.334 1.00 0.00 O ATOM 234 CB ALA A 339 -14.885 4.033 -2.390 1.00 0.00 C ATOM 0 H ALA A 339 -12.593 5.394 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.337 5.874 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.206 3.541 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.748 4.480 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.428 3.299 -3.054 1.00 0.00 H new ATOM 240 N ASN A 340 -11.489 4.885 -1.627 1.00 0.00 N ATOM 241 CA ASN A 340 -10.320 4.337 -0.938 1.00 0.00 C ATOM 242 C ASN A 340 -9.454 5.433 -0.373 1.00 0.00 C ATOM 243 O ASN A 340 -8.467 5.163 0.311 1.00 0.00 O ATOM 244 CB ASN A 340 -9.488 3.463 -1.881 1.00 0.00 C ATOM 245 CG ASN A 340 -10.222 2.214 -2.329 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.122 1.160 -1.704 1.00 0.00 O ATOM 247 ND2 ASN A 340 -10.961 2.330 -3.410 1.00 0.00 N ATOM 0 H ASN A 340 -11.278 5.544 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.689 3.723 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.208 4.048 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.563 3.175 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.480 1.526 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.015 3.224 -3.897 1.00 0.00 H new ATOM 254 N THR A 341 -9.809 6.669 -0.658 1.00 0.00 N ATOM 255 CA THR A 341 -9.017 7.794 -0.202 1.00 0.00 C ATOM 256 C THR A 341 -9.824 9.070 -0.154 1.00 0.00 C ATOM 257 O THR A 341 -10.962 9.115 -0.615 1.00 0.00 O ATOM 258 CB THR A 341 -7.813 8.027 -1.125 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.835 7.097 -2.209 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.525 7.884 -0.356 1.00 0.00 C ATOM 0 H THR A 341 -10.636 6.920 -1.200 1.00 0.00 H new ATOM 0 HA THR A 341 -8.680 7.543 0.804 1.00 0.00 H new ATOM 0 HB THR A 341 -7.875 9.040 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.917 6.851 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.681 8.052 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.500 8.616 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.461 6.880 0.063 1.00 0.00 H new ATOM 268 N LYS A 342 -9.225 10.102 0.412 1.00 0.00 N ATOM 269 CA LYS A 342 -9.828 11.414 0.469 1.00 0.00 C ATOM 270 C LYS A 342 -8.751 12.461 0.275 1.00 0.00 C ATOM 271 O LYS A 342 -7.576 12.124 0.090 1.00 0.00 O ATOM 272 CB LYS A 342 -10.579 11.651 1.795 1.00 0.00 C ATOM 273 CG LYS A 342 -11.736 10.687 2.029 1.00 0.00 C ATOM 274 CD LYS A 342 -12.695 11.180 3.107 1.00 0.00 C ATOM 275 CE LYS A 342 -12.021 11.314 4.463 1.00 0.00 C ATOM 276 NZ LYS A 342 -13.011 11.546 5.544 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.303 10.050 0.846 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.567 11.487 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.874 11.564 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.961 12.672 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.283 10.547 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.341 9.713 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -13.105 12.145 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.534 10.488 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.452 10.410 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.310 12.140 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.533 11.962 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.748 12.197 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.447 10.642 5.816 1.00 0.00 H new ATOM 290 N GLU A 343 -9.130 13.712 0.314 1.00 0.00 N ATOM 291 CA GLU A 343 -8.181 14.785 0.117 1.00 0.00 C ATOM 292 C GLU A 343 -8.179 15.732 1.295 1.00 0.00 C ATOM 293 O GLU A 343 -9.081 15.697 2.139 1.00 0.00 O ATOM 294 CB GLU A 343 -8.490 15.559 -1.166 1.00 0.00 C ATOM 295 CG GLU A 343 -8.528 14.700 -2.415 1.00 0.00 C ATOM 296 CD GLU A 343 -8.388 15.509 -3.677 1.00 0.00 C ATOM 297 OE1 GLU A 343 -9.299 16.308 -3.987 1.00 0.00 O ATOM 298 OE2 GLU A 343 -7.363 15.354 -4.370 1.00 0.00 O1- ATOM 0 H GLU A 343 -10.089 14.017 0.480 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.192 14.335 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.452 16.059 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.739 16.338 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.726 13.963 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.467 14.148 -2.444 1.00 0.00 H new ATOM 305 N CYS A 344 -7.159 16.574 1.347 1.00 0.00 N ATOM 306 CA CYS A 344 -7.031 17.574 2.385 1.00 0.00 C ATOM 307 C CYS A 344 -8.201 18.542 2.321 1.00 0.00 C ATOM 308 O CYS A 344 -8.575 19.003 1.249 1.00 0.00 O ATOM 309 CB CYS A 344 -5.708 18.327 2.217 1.00 0.00 C ATOM 310 SG CYS A 344 -5.406 19.642 3.446 1.00 0.00 S ATOM 0 H CYS A 344 -6.398 16.580 0.668 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.037 17.084 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.890 17.609 2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.683 18.769 1.221 1.00 0.00 H new ATOM 315 N PRO A 345 -8.801 18.850 3.457 1.00 0.00 N ATOM 316 CA PRO A 345 -9.915 19.779 3.525 1.00 0.00 C ATOM 317 C PRO A 345 -9.445 21.228 3.501 1.00 0.00 C ATOM 318 O PRO A 345 -10.254 22.157 3.573 1.00 0.00 O ATOM 319 CB PRO A 345 -10.555 19.450 4.866 1.00 0.00 C ATOM 320 CG PRO A 345 -9.428 18.960 5.710 1.00 0.00 C ATOM 321 CD PRO A 345 -8.449 18.304 4.777 1.00 0.00 C ATOM 0 HA PRO A 345 -10.593 19.680 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -11.027 20.328 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.330 18.691 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.959 19.784 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.784 18.253 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.420 18.541 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.542 17.218 4.798 1.00 0.00 H new ATOM 329 N LYS A 346 -8.139 21.410 3.400 1.00 0.00 N ATOM 330 CA LYS A 346 -7.552 22.723 3.384 1.00 0.00 C ATOM 331 C LYS A 346 -7.039 23.094 1.996 1.00 0.00 C ATOM 332 O LYS A 346 -7.385 24.141 1.466 1.00 0.00 O ATOM 333 CB LYS A 346 -6.439 22.813 4.432 1.00 0.00 C ATOM 334 CG LYS A 346 -5.410 23.879 4.145 1.00 0.00 C ATOM 335 CD LYS A 346 -4.692 24.312 5.404 1.00 0.00 C ATOM 336 CE LYS A 346 -3.683 25.402 5.110 1.00 0.00 C ATOM 337 NZ LYS A 346 -2.977 25.848 6.337 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.464 20.649 3.327 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.327 23.446 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.887 23.008 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.938 21.847 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.685 23.501 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.896 24.741 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -5.417 24.671 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.187 23.456 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -2.956 25.037 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -4.190 26.252 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.295 26.595 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -3.668 26.220 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -2.472 25.043 6.759 1.00 0.00 H new ATOM 351 N CYS A 347 -6.219 22.238 1.405 1.00 0.00 N ATOM 352 CA CYS A 347 -5.662 22.524 0.087 1.00 0.00 C ATOM 353 C CYS A 347 -6.184 21.563 -0.972 1.00 0.00 C ATOM 354 O CYS A 347 -5.887 21.720 -2.158 1.00 0.00 O ATOM 355 CB CYS A 347 -4.139 22.477 0.134 1.00 0.00 C ATOM 356 SG CYS A 347 -3.464 20.893 0.683 1.00 0.00 S ATOM 0 H CYS A 347 -5.926 21.349 1.810 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.983 23.528 -0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.749 22.701 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.783 23.262 0.801 1.00 0.00 H new ATOM 361 N HIS A 348 -6.949 20.576 -0.535 1.00 0.00 N ATOM 362 CA HIS A 348 -7.515 19.563 -1.416 1.00 0.00 C ATOM 363 C HIS A 348 -6.436 18.831 -2.190 1.00 0.00 C ATOM 364 O HIS A 348 -6.318 18.958 -3.413 1.00 0.00 O ATOM 365 CB HIS A 348 -8.583 20.136 -2.358 1.00 0.00 C ATOM 366 CG HIS A 348 -9.864 20.492 -1.666 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.932 19.619 -1.634 1.00 0.00 N ATOM 368 CD2 HIS A 348 -10.198 21.622 -1.002 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.880 20.237 -0.955 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.483 21.452 -0.551 1.00 0.00 N ATOM 0 H HIS A 348 -7.197 20.453 0.447 1.00 0.00 H new ATOM 0 HA HIS A 348 -8.015 18.838 -0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -8.185 21.025 -2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.793 19.408 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.574 22.491 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.854 19.817 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -12.031 22.122 -0.012 1.00 0.00 H new ATOM 378 N VAL A 349 -5.627 18.102 -1.468 1.00 0.00 N ATOM 379 CA VAL A 349 -4.593 17.299 -2.062 1.00 0.00 C ATOM 380 C VAL A 349 -4.846 15.844 -1.718 1.00 0.00 C ATOM 381 O VAL A 349 -5.270 15.535 -0.604 1.00 0.00 O ATOM 382 CB VAL A 349 -3.175 17.728 -1.586 1.00 0.00 C ATOM 383 CG1 VAL A 349 -3.033 17.566 -0.090 1.00 0.00 C ATOM 384 CG2 VAL A 349 -2.090 16.953 -2.320 1.00 0.00 C ATOM 0 H VAL A 349 -5.667 18.049 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.622 17.442 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 349 -3.051 18.784 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -2.033 17.873 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.773 18.187 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.190 16.522 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -1.110 17.275 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.212 15.887 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -2.169 17.142 -3.391 1.00 0.00 H new ATOM 394 N THR A 350 -4.629 14.962 -2.667 1.00 0.00 N ATOM 395 CA THR A 350 -4.863 13.556 -2.450 1.00 0.00 C ATOM 396 C THR A 350 -3.915 12.991 -1.402 1.00 0.00 C ATOM 397 O THR A 350 -2.699 12.923 -1.609 1.00 0.00 O ATOM 398 CB THR A 350 -4.714 12.772 -3.747 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.472 13.421 -4.781 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.212 11.350 -3.566 1.00 0.00 C ATOM 0 H THR A 350 -4.289 15.197 -3.600 1.00 0.00 H new ATOM 0 HA THR A 350 -5.886 13.453 -2.087 1.00 0.00 H new ATOM 0 HB THR A 350 -3.660 12.740 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 350 -6.117 14.038 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.099 10.803 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.632 10.858 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.264 11.366 -3.280 1.00 0.00 H new ATOM 408 N ILE A 351 -4.477 12.595 -0.283 1.00 0.00 N ATOM 409 CA ILE A 351 -3.714 12.027 0.795 1.00 0.00 C ATOM 410 C ILE A 351 -3.963 10.529 0.815 1.00 0.00 C ATOM 411 O ILE A 351 -4.434 9.979 -0.172 1.00 0.00 O ATOM 412 CB ILE A 351 -4.123 12.656 2.156 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.574 12.311 2.497 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.936 14.172 2.129 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.109 13.059 3.691 1.00 0.00 C ATOM 0 H ILE A 351 -5.478 12.659 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.655 12.233 0.641 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.475 12.239 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.202 12.526 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.649 11.240 2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.228 14.592 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.890 14.406 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.557 14.601 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.142 12.763 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.505 12.825 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.067 14.131 3.498 1.00 0.00 H new ATOM 427 N GLU A 352 -3.646 9.876 1.915 1.00 0.00 N ATOM 428 CA GLU A 352 -3.896 8.448 2.048 1.00 0.00 C ATOM 429 C GLU A 352 -3.809 8.043 3.506 1.00 0.00 C ATOM 430 O GLU A 352 -2.795 8.286 4.169 1.00 0.00 O ATOM 431 CB GLU A 352 -2.918 7.631 1.198 1.00 0.00 C ATOM 432 CG GLU A 352 -3.348 6.185 0.997 1.00 0.00 C ATOM 433 CD GLU A 352 -2.436 5.427 0.060 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.537 5.627 -1.172 1.00 0.00 O1- ATOM 435 OE2 GLU A 352 -1.610 4.624 0.548 1.00 0.00 O ATOM 0 H GLU A 352 -3.215 10.308 2.732 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.901 8.239 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.810 8.108 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.936 7.647 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.370 5.680 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -4.364 6.164 0.603 1.00 0.00 H new ATOM 442 N LYS A 353 -4.874 7.445 4.008 1.00 0.00 N ATOM 443 CA LYS A 353 -4.939 7.056 5.404 1.00 0.00 C ATOM 444 C LYS A 353 -4.129 5.799 5.664 1.00 0.00 C ATOM 445 O LYS A 353 -4.113 4.873 4.853 1.00 0.00 O ATOM 446 CB LYS A 353 -6.388 6.837 5.840 1.00 0.00 C ATOM 447 CG LYS A 353 -6.543 6.514 7.319 1.00 0.00 C ATOM 448 CD LYS A 353 -6.323 7.740 8.198 1.00 0.00 C ATOM 449 CE LYS A 353 -6.465 7.388 9.669 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.781 6.760 9.980 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.708 7.218 3.467 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.512 7.870 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.966 7.732 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.815 6.024 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.540 6.113 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.831 5.736 7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.331 8.151 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -7.043 8.515 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.664 6.707 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.346 8.290 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -7.849 6.585 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -8.548 7.398 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -7.865 5.858 9.468 1.00 0.00 H new ATOM 464 N ASP A 354 -3.465 5.778 6.795 1.00 0.00 N ATOM 465 CA ASP A 354 -2.661 4.637 7.197 1.00 0.00 C ATOM 466 C ASP A 354 -3.315 3.932 8.374 1.00 0.00 C ATOM 467 O ASP A 354 -3.336 2.701 8.451 1.00 0.00 O ATOM 468 CB ASP A 354 -1.263 5.104 7.588 1.00 0.00 C ATOM 469 CG ASP A 354 -0.327 3.954 7.896 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.245 3.380 6.945 1.00 0.00 O ATOM 471 OD2 ASP A 354 -0.137 3.635 9.091 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.463 6.547 7.465 1.00 0.00 H new ATOM 0 HA ASP A 354 -2.587 3.941 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -0.844 5.701 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -1.332 5.754 8.460 1.00 0.00 H new ATOM 476 N GLY A 355 -3.874 4.729 9.270 1.00 0.00 N ATOM 477 CA GLY A 355 -4.495 4.207 10.461 1.00 0.00 C ATOM 478 C GLY A 355 -4.016 4.942 11.689 1.00 0.00 C ATOM 479 O GLY A 355 -4.330 6.126 11.869 1.00 0.00 O ATOM 0 H GLY A 355 -3.907 5.745 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -5.578 4.296 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -4.269 3.145 10.557 1.00 0.00 H new ATOM 483 N GLY A 356 -3.247 4.253 12.519 1.00 0.00 N ATOM 484 CA GLY A 356 -2.690 4.857 13.717 1.00 0.00 C ATOM 485 C GLY A 356 -3.746 5.411 14.649 1.00 0.00 C ATOM 486 O GLY A 356 -4.750 4.751 14.931 1.00 0.00 O ATOM 0 H GLY A 356 -2.995 3.274 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -2.098 4.113 14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -2.010 5.659 13.430 1.00 0.00 H new ATOM 490 N SER A 357 -3.522 6.620 15.123 1.00 0.00 N ATOM 491 CA SER A 357 -4.449 7.275 16.028 1.00 0.00 C ATOM 492 C SER A 357 -5.365 8.235 15.280 1.00 0.00 C ATOM 493 O SER A 357 -5.993 9.094 15.889 1.00 0.00 O ATOM 494 CB SER A 357 -3.681 8.019 17.115 1.00 0.00 C ATOM 495 OG SER A 357 -2.873 7.125 17.864 1.00 0.00 O ATOM 0 H SER A 357 -2.697 7.175 14.894 1.00 0.00 H new ATOM 0 HA SER A 357 -5.071 6.508 16.490 1.00 0.00 H new ATOM 0 HB2 SER A 357 -3.056 8.789 16.663 1.00 0.00 H new ATOM 0 HB3 SER A 357 -4.381 8.526 17.779 1.00 0.00 H new ATOM 0 HG SER A 357 -2.388 7.623 18.555 1.00 0.00 H new ATOM 501 N ASN A 358 -5.426 8.083 13.951 1.00 0.00 N ATOM 502 CA ASN A 358 -6.284 8.914 13.090 1.00 0.00 C ATOM 503 C ASN A 358 -5.743 10.320 12.933 1.00 0.00 C ATOM 504 O ASN A 358 -6.393 11.182 12.334 1.00 0.00 O ATOM 505 CB ASN A 358 -7.740 8.930 13.586 1.00 0.00 C ATOM 506 CG ASN A 358 -8.509 7.699 13.153 1.00 0.00 C ATOM 507 OD1 ASN A 358 -7.922 6.664 12.835 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.818 7.798 13.139 1.00 0.00 N ATOM 0 H ASN A 358 -4.885 7.384 13.442 1.00 0.00 H new ATOM 0 HA ASN A 358 -6.276 8.454 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.750 8.998 14.674 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.241 9.821 13.206 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.387 7.000 12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -10.266 8.673 13.410 1.00 0.00 H new ATOM 515 N HIS A 359 -4.542 10.536 13.446 1.00 0.00 N ATOM 516 CA HIS A 359 -3.870 11.814 13.319 1.00 0.00 C ATOM 517 C HIS A 359 -3.317 11.931 11.901 1.00 0.00 C ATOM 518 O HIS A 359 -2.149 11.623 11.640 1.00 0.00 O ATOM 519 CB HIS A 359 -2.734 11.922 14.355 1.00 0.00 C ATOM 520 CG HIS A 359 -2.176 13.312 14.555 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.620 13.684 15.756 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.095 14.355 13.688 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.213 14.933 15.596 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.478 15.381 14.365 1.00 0.00 N ATOM 0 H HIS A 359 -4.010 9.833 13.959 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.573 12.626 13.506 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.101 11.554 15.313 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -1.922 11.262 14.050 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.446 14.375 12.667 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.728 15.517 16.364 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.263 16.308 13.997 1.00 0.00 H new ATOM 532 N MET A 360 -4.181 12.310 10.990 1.00 0.00 N ATOM 533 CA MET A 360 -3.830 12.434 9.589 1.00 0.00 C ATOM 534 C MET A 360 -3.194 13.792 9.291 1.00 0.00 C ATOM 535 O MET A 360 -3.695 14.839 9.712 1.00 0.00 O ATOM 536 CB MET A 360 -5.073 12.181 8.709 1.00 0.00 C ATOM 537 CG MET A 360 -5.015 12.813 7.328 1.00 0.00 C ATOM 538 SD MET A 360 -3.697 12.142 6.294 1.00 0.00 S ATOM 539 CE MET A 360 -4.351 10.524 5.919 1.00 0.00 C ATOM 0 H MET A 360 -5.152 12.543 11.197 1.00 0.00 H new ATOM 0 HA MET A 360 -3.082 11.678 9.350 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.208 11.105 8.596 1.00 0.00 H new ATOM 0 HB3 MET A 360 -5.953 12.559 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 360 -5.972 12.665 6.827 1.00 0.00 H new ATOM 0 HG3 MET A 360 -4.873 13.889 7.433 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.641 9.761 6.239 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.296 10.383 6.443 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.516 10.438 4.845 1.00 0.00 H new ATOM 549 N VAL A 361 -2.084 13.759 8.577 1.00 0.00 N ATOM 550 CA VAL A 361 -1.363 14.961 8.217 1.00 0.00 C ATOM 551 C VAL A 361 -1.279 15.085 6.697 1.00 0.00 C ATOM 552 O VAL A 361 -0.998 14.101 5.998 1.00 0.00 O ATOM 553 CB VAL A 361 0.070 14.962 8.805 1.00 0.00 C ATOM 554 CG1 VAL A 361 0.758 16.301 8.563 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.046 14.630 10.291 1.00 0.00 C ATOM 0 H VAL A 361 -1.659 12.898 8.232 1.00 0.00 H new ATOM 0 HA VAL A 361 -1.908 15.808 8.632 1.00 0.00 H new ATOM 0 HB VAL A 361 0.644 14.190 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 361 1.762 16.276 8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.820 16.490 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.184 17.096 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.064 14.637 10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.551 15.373 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.392 13.642 10.436 1.00 0.00 H new ATOM 565 N CYS A 362 -1.545 16.285 6.201 1.00 0.00 N ATOM 566 CA CYS A 362 -1.501 16.579 4.776 1.00 0.00 C ATOM 567 C CYS A 362 -0.134 16.233 4.180 1.00 0.00 C ATOM 568 O CYS A 362 0.888 16.283 4.865 1.00 0.00 O ATOM 569 CB CYS A 362 -1.799 18.055 4.553 1.00 0.00 C ATOM 570 SG CYS A 362 -1.863 18.553 2.815 1.00 0.00 S ATOM 0 H CYS A 362 -1.799 17.086 6.779 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.253 15.968 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.753 18.295 5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -1.037 18.647 5.060 1.00 0.00 H new ATOM 575 N ARG A 363 -0.126 15.902 2.901 1.00 0.00 N ATOM 576 CA ARG A 363 1.108 15.523 2.220 1.00 0.00 C ATOM 577 C ARG A 363 1.656 16.706 1.454 1.00 0.00 C ATOM 578 O ARG A 363 2.840 16.749 1.111 1.00 0.00 O ATOM 579 CB ARG A 363 0.871 14.370 1.235 1.00 0.00 C ATOM 580 CG ARG A 363 -0.316 13.468 1.569 1.00 0.00 C ATOM 581 CD ARG A 363 -0.218 12.857 2.970 1.00 0.00 C ATOM 582 NE ARG A 363 0.938 11.982 3.129 1.00 0.00 N ATOM 583 CZ ARG A 363 1.543 11.740 4.297 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.113 12.327 5.413 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.573 10.910 4.347 1.00 0.00 N ATOM 0 H ARG A 363 -0.957 15.887 2.310 1.00 0.00 H new ATOM 0 HA ARG A 363 1.819 15.199 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.722 14.788 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.772 13.758 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.238 14.044 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.378 12.668 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.165 13.658 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.126 12.292 3.179 1.00 0.00 H new ATOM 0 HE ARG A 363 1.309 11.525 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.318 12.965 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.579 12.138 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.904 10.456 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 363 3.036 10.724 5.237 1.00 0.00 H new ATOM 599 N ASN A 364 0.782 17.655 1.167 1.00 0.00 N ATOM 600 CA ASN A 364 1.153 18.850 0.427 1.00 0.00 C ATOM 601 C ASN A 364 2.184 19.653 1.198 1.00 0.00 C ATOM 602 O ASN A 364 1.936 20.096 2.311 1.00 0.00 O ATOM 603 CB ASN A 364 -0.090 19.702 0.119 1.00 0.00 C ATOM 604 CG ASN A 364 0.221 21.006 -0.597 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.273 21.159 -1.226 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.709 21.941 -0.530 1.00 0.00 N ATOM 0 H ASN A 364 -0.201 17.620 1.439 1.00 0.00 H new ATOM 0 HA ASN A 364 1.598 18.547 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.777 19.117 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.606 19.925 1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.573 22.831 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.564 21.773 0.001 1.00 0.00 H new ATOM 613 N GLN A 365 3.343 19.825 0.592 1.00 0.00 N ATOM 614 CA GLN A 365 4.450 20.569 1.201 1.00 0.00 C ATOM 615 C GLN A 365 4.111 22.049 1.356 1.00 0.00 C ATOM 616 O GLN A 365 4.802 22.787 2.051 1.00 0.00 O ATOM 617 CB GLN A 365 5.735 20.405 0.383 1.00 0.00 C ATOM 618 CG GLN A 365 5.520 20.428 -1.122 1.00 0.00 C ATOM 619 CD GLN A 365 5.377 19.034 -1.726 1.00 0.00 C ATOM 620 OE1 GLN A 365 4.949 18.069 -0.926 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 5.685 18.824 -2.892 1.00 0.00 N flip ATOM 0 H GLN A 365 3.552 19.457 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 365 4.612 20.152 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.429 21.202 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.210 19.463 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 365 4.625 21.009 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.359 20.939 -1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.011 19.591 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 365 5.616 17.882 -3.276 1.00 0.00 H new ATOM 630 N ASN A 366 3.054 22.469 0.708 1.00 0.00 N ATOM 631 CA ASN A 366 2.585 23.842 0.796 1.00 0.00 C ATOM 632 C ASN A 366 1.456 23.927 1.817 1.00 0.00 C ATOM 633 O ASN A 366 0.751 24.931 1.899 1.00 0.00 O ATOM 634 CB ASN A 366 2.081 24.327 -0.572 1.00 0.00 C ATOM 635 CG ASN A 366 3.131 24.238 -1.663 1.00 0.00 C ATOM 636 OD1 ASN A 366 3.907 25.170 -1.877 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.154 23.122 -2.373 1.00 0.00 N ATOM 0 H ASN A 366 2.489 21.874 0.102 1.00 0.00 H new ATOM 0 HA ASN A 366 3.413 24.478 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.213 23.735 -0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 366 1.746 25.360 -0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 366 3.831 23.012 -3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.495 22.372 -2.166 1.00 0.00 H new ATOM 644 N CYS A 367 1.300 22.864 2.602 1.00 0.00 N ATOM 645 CA CYS A 367 0.228 22.779 3.577 1.00 0.00 C ATOM 646 C CYS A 367 0.696 22.057 4.841 1.00 0.00 C ATOM 647 O CYS A 367 1.034 22.699 5.842 1.00 0.00 O ATOM 648 CB CYS A 367 -0.957 22.038 2.961 1.00 0.00 C ATOM 649 SG CYS A 367 -2.443 21.957 4.013 1.00 0.00 S ATOM 0 H CYS A 367 1.910 22.047 2.577 1.00 0.00 H new ATOM 0 HA CYS A 367 -0.074 23.789 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.221 22.523 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.645 21.022 2.719 1.00 0.00 H new ATOM 654 N LYS A 368 0.734 20.716 4.773 1.00 0.00 N ATOM 655 CA LYS A 368 1.142 19.864 5.901 1.00 0.00 C ATOM 656 C LYS A 368 0.222 20.061 7.103 1.00 0.00 C ATOM 657 O LYS A 368 0.629 19.873 8.255 1.00 0.00 O ATOM 658 CB LYS A 368 2.590 20.158 6.283 1.00 0.00 C ATOM 659 CG LYS A 368 3.562 19.970 5.134 1.00 0.00 C ATOM 660 CD LYS A 368 4.760 20.902 5.238 1.00 0.00 C ATOM 661 CE LYS A 368 4.366 22.370 5.042 1.00 0.00 C ATOM 662 NZ LYS A 368 3.816 22.998 6.281 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.483 20.193 3.934 1.00 0.00 H new ATOM 0 HA LYS A 368 1.063 18.823 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.662 21.183 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.881 19.506 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.908 18.936 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.046 20.148 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.230 20.780 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.502 20.623 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.239 22.934 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.624 22.438 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 4.203 23.958 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.779 23.048 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 4.082 22.426 7.108 1.00 0.00 H new ATOM 676 N ALA A 369 -1.020 20.429 6.829 1.00 0.00 N ATOM 677 CA ALA A 369 -2.004 20.647 7.869 1.00 0.00 C ATOM 678 C ALA A 369 -2.369 19.338 8.556 1.00 0.00 C ATOM 679 O ALA A 369 -2.460 18.291 7.919 1.00 0.00 O ATOM 680 CB ALA A 369 -3.246 21.308 7.294 1.00 0.00 C ATOM 0 H ALA A 369 -1.370 20.583 5.883 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.568 21.312 8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -3.976 21.465 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -2.977 22.268 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.678 20.666 6.527 1.00 0.00 H new ATOM 686 N GLU A 370 -2.560 19.404 9.853 1.00 0.00 N ATOM 687 CA GLU A 370 -2.938 18.246 10.633 1.00 0.00 C ATOM 688 C GLU A 370 -4.430 18.275 10.877 1.00 0.00 C ATOM 689 O GLU A 370 -4.952 19.215 11.485 1.00 0.00 O ATOM 690 CB GLU A 370 -2.180 18.247 11.951 1.00 0.00 C ATOM 691 CG GLU A 370 -0.678 18.196 11.773 1.00 0.00 C ATOM 692 CD GLU A 370 0.063 18.495 13.043 1.00 0.00 C ATOM 693 OE1 GLU A 370 0.067 17.640 13.947 1.00 0.00 O ATOM 694 OE2 GLU A 370 0.651 19.591 13.143 1.00 0.00 O1- ATOM 0 H GLU A 370 -2.458 20.260 10.398 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.686 17.335 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.443 19.143 12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.498 17.392 12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.392 17.208 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.382 18.912 11.006 1.00 0.00 H new ATOM 701 N PHE A 371 -5.121 17.267 10.411 1.00 0.00 N ATOM 702 CA PHE A 371 -6.559 17.250 10.519 1.00 0.00 C ATOM 703 C PHE A 371 -7.096 15.868 10.825 1.00 0.00 C ATOM 704 O PHE A 371 -6.444 14.850 10.576 1.00 0.00 O ATOM 705 CB PHE A 371 -7.199 17.807 9.235 1.00 0.00 C ATOM 706 CG PHE A 371 -6.722 17.153 7.972 1.00 0.00 C ATOM 707 CD1 PHE A 371 -7.365 16.037 7.467 1.00 0.00 C ATOM 708 CD2 PHE A 371 -5.631 17.660 7.289 1.00 0.00 C ATOM 709 CE1 PHE A 371 -6.928 15.440 6.305 1.00 0.00 C ATOM 710 CE2 PHE A 371 -5.191 17.066 6.128 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.838 15.957 5.634 1.00 0.00 C ATOM 0 H PHE A 371 -4.715 16.450 9.955 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.828 17.890 11.359 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.281 17.692 9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -6.995 18.876 9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -8.218 15.630 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -5.119 18.531 7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -7.437 14.569 5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -4.337 17.471 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.494 15.491 4.722 1.00 0.00 H new ATOM 721 N CYS A 372 -8.294 15.847 11.368 1.00 0.00 N ATOM 722 CA CYS A 372 -8.972 14.626 11.689 1.00 0.00 C ATOM 723 C CYS A 372 -9.523 14.023 10.428 1.00 0.00 C ATOM 724 O CYS A 372 -10.501 14.506 9.894 1.00 0.00 O ATOM 725 CB CYS A 372 -10.110 14.908 12.671 1.00 0.00 C ATOM 726 SG CYS A 372 -11.096 13.442 13.150 1.00 0.00 S ATOM 0 H CYS A 372 -8.823 16.688 11.598 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.272 13.929 12.151 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.690 15.356 13.572 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.777 15.648 12.229 1.00 0.00 H new ATOM 731 N TRP A 373 -8.873 12.989 9.942 1.00 0.00 N ATOM 732 CA TRP A 373 -9.305 12.288 8.736 1.00 0.00 C ATOM 733 C TRP A 373 -10.800 11.922 8.783 1.00 0.00 C ATOM 734 O TRP A 373 -11.481 11.952 7.756 1.00 0.00 O ATOM 735 CB TRP A 373 -8.452 11.027 8.548 1.00 0.00 C ATOM 736 CG TRP A 373 -9.061 9.994 7.649 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.973 9.052 8.005 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.803 9.795 6.256 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.290 8.270 6.933 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.591 8.704 5.842 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.986 10.425 5.321 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.583 8.233 4.533 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.979 9.957 4.023 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.772 8.872 3.640 1.00 0.00 C ATOM 0 H TRP A 373 -8.029 12.604 10.366 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.167 12.958 7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.482 11.317 8.143 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.269 10.578 9.524 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.388 8.938 8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.944 7.487 6.944 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.369 11.264 5.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.195 7.394 4.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.349 10.438 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.743 8.532 2.615 1.00 0.00 H new ATOM 755 N VAL A 374 -11.290 11.592 9.974 1.00 0.00 N ATOM 756 CA VAL A 374 -12.675 11.153 10.165 1.00 0.00 C ATOM 757 C VAL A 374 -13.674 12.158 9.588 1.00 0.00 C ATOM 758 O VAL A 374 -14.440 11.839 8.676 1.00 0.00 O ATOM 759 CB VAL A 374 -12.994 10.940 11.663 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.407 10.412 11.849 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.984 10.004 12.300 1.00 0.00 C ATOM 0 H VAL A 374 -10.743 11.620 10.834 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.774 10.207 9.632 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.926 11.907 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -14.606 10.271 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.120 11.127 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -14.510 9.459 11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.228 9.868 13.354 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.012 9.039 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.985 10.431 12.211 1.00 0.00 H new ATOM 771 N CYS A 375 -13.649 13.365 10.110 1.00 0.00 N ATOM 772 CA CYS A 375 -14.581 14.394 9.692 1.00 0.00 C ATOM 773 C CYS A 375 -13.908 15.411 8.789 1.00 0.00 C ATOM 774 O CYS A 375 -14.546 16.367 8.333 1.00 0.00 O ATOM 775 CB CYS A 375 -15.149 15.090 10.924 1.00 0.00 C ATOM 776 SG CYS A 375 -13.872 15.680 12.083 1.00 0.00 S ATOM 0 H CYS A 375 -12.989 13.661 10.830 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.386 13.924 9.127 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.757 15.937 10.605 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.812 14.401 11.447 1.00 0.00 H new ATOM 781 N LEU A 376 -12.624 15.196 8.531 1.00 0.00 N ATOM 782 CA LEU A 376 -11.810 16.124 7.746 1.00 0.00 C ATOM 783 C LEU A 376 -11.821 17.520 8.368 1.00 0.00 C ATOM 784 O LEU A 376 -11.853 18.528 7.665 1.00 0.00 O ATOM 785 CB LEU A 376 -12.255 16.176 6.275 1.00 0.00 C ATOM 786 CG LEU A 376 -11.877 14.967 5.414 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.233 15.222 3.960 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.395 14.649 5.548 1.00 0.00 C ATOM 0 H LEU A 376 -12.115 14.375 8.858 1.00 0.00 H new ATOM 0 HA LEU A 376 -10.787 15.749 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.339 16.291 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -11.828 17.069 5.819 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.444 14.106 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -11.958 14.354 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.305 15.398 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -11.691 16.097 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.150 13.787 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.808 15.508 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.164 14.424 6.589 1.00 0.00 H new ATOM 800 N GLY A 377 -11.790 17.566 9.688 1.00 0.00 N ATOM 801 CA GLY A 377 -11.763 18.832 10.382 1.00 0.00 C ATOM 802 C GLY A 377 -10.444 19.051 11.082 1.00 0.00 C ATOM 803 O GLY A 377 -9.566 18.211 11.002 1.00 0.00 O ATOM 0 H GLY A 377 -11.783 16.745 10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -11.938 19.641 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.573 18.866 11.111 1.00 0.00 H new ATOM 807 N PRO A 378 -10.289 20.160 11.796 1.00 0.00 N ATOM 808 CA PRO A 378 -9.045 20.482 12.498 1.00 0.00 C ATOM 809 C PRO A 378 -8.769 19.484 13.620 1.00 0.00 C ATOM 810 O PRO A 378 -9.628 19.246 14.463 1.00 0.00 O ATOM 811 CB PRO A 378 -9.312 21.880 13.073 1.00 0.00 C ATOM 812 CG PRO A 378 -10.798 21.986 13.142 1.00 0.00 C ATOM 813 CD PRO A 378 -11.328 21.171 12.002 1.00 0.00 C ATOM 0 HA PRO A 378 -8.173 20.444 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -8.861 21.995 14.059 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -8.889 22.657 12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.171 21.611 14.095 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.119 23.025 13.060 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.288 20.716 12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -11.480 21.779 11.110 1.00 0.00 H new ATOM 821 N TRP A 379 -7.582 18.900 13.628 1.00 0.00 N ATOM 822 CA TRP A 379 -7.228 17.894 14.632 1.00 0.00 C ATOM 823 C TRP A 379 -7.072 18.508 16.028 1.00 0.00 C ATOM 824 O TRP A 379 -7.218 17.820 17.033 1.00 0.00 O ATOM 825 CB TRP A 379 -5.940 17.156 14.228 1.00 0.00 C ATOM 826 CG TRP A 379 -5.513 16.115 15.220 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.510 16.222 16.138 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.086 14.814 15.404 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.422 15.069 16.879 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.378 14.190 16.447 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.130 14.119 14.788 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.680 12.902 16.888 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.427 12.843 15.225 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.705 12.246 16.265 1.00 0.00 C ATOM 0 H TRP A 379 -6.844 19.101 12.954 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.049 17.178 14.676 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.091 16.682 13.258 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.137 17.883 14.107 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -3.877 17.088 16.264 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.753 14.896 17.629 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.694 14.571 13.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.125 12.440 17.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.231 12.296 14.756 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.963 11.246 16.582 1.00 0.00 H new ATOM 845 N GLU A 380 -6.806 19.800 16.075 1.00 0.00 N ATOM 846 CA GLU A 380 -6.575 20.506 17.341 1.00 0.00 C ATOM 847 C GLU A 380 -7.696 20.291 18.394 1.00 0.00 C ATOM 848 O GLU A 380 -7.403 19.862 19.507 1.00 0.00 O ATOM 849 CB GLU A 380 -6.332 21.983 17.087 1.00 0.00 C ATOM 850 CG GLU A 380 -5.071 22.246 16.300 1.00 0.00 C ATOM 851 CD GLU A 380 -4.925 23.687 15.917 1.00 0.00 C ATOM 852 OE1 GLU A 380 -4.367 24.464 16.716 1.00 0.00 O1- ATOM 853 OE2 GLU A 380 -5.369 24.054 14.814 1.00 0.00 O ATOM 0 H GLU A 380 -6.742 20.394 15.248 1.00 0.00 H new ATOM 0 HA GLU A 380 -5.679 20.066 17.779 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.183 22.398 16.548 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -6.274 22.506 18.042 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -4.207 21.941 16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.074 21.632 15.399 1.00 0.00 H new ATOM 860 N PRO A 381 -8.989 20.582 18.074 1.00 0.00 N ATOM 861 CA PRO A 381 -10.091 20.388 19.036 1.00 0.00 C ATOM 862 C PRO A 381 -10.422 18.908 19.278 1.00 0.00 C ATOM 863 O PRO A 381 -11.262 18.578 20.114 1.00 0.00 O ATOM 864 CB PRO A 381 -11.277 21.088 18.363 1.00 0.00 C ATOM 865 CG PRO A 381 -10.972 21.022 16.911 1.00 0.00 C ATOM 866 CD PRO A 381 -9.478 21.139 16.794 1.00 0.00 C ATOM 0 HA PRO A 381 -9.836 20.784 20.019 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.217 20.587 18.594 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -11.374 22.119 18.702 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.325 20.085 16.481 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -11.470 21.828 16.371 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.097 20.579 15.940 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -9.165 22.175 16.661 1.00 0.00 H new ATOM 874 N HIS A 382 -9.758 18.024 18.551 1.00 0.00 N ATOM 875 CA HIS A 382 -10.019 16.603 18.676 1.00 0.00 C ATOM 876 C HIS A 382 -9.278 16.000 19.845 1.00 0.00 C ATOM 877 O HIS A 382 -8.178 15.462 19.702 1.00 0.00 O ATOM 878 CB HIS A 382 -9.694 15.860 17.384 1.00 0.00 C ATOM 879 CG HIS A 382 -10.734 16.036 16.332 1.00 0.00 C ATOM 880 ND1 HIS A 382 -10.794 17.112 15.484 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.784 15.250 16.013 1.00 0.00 C ATOM 882 CE1 HIS A 382 -11.855 16.957 14.693 1.00 0.00 C ATOM 883 NE2 HIS A 382 -12.496 15.836 14.972 1.00 0.00 N ATOM 0 H HIS A 382 -9.037 18.266 17.871 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.086 16.490 18.868 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.736 16.211 17.001 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.581 14.798 17.601 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.140 17.895 15.463 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.032 14.314 16.491 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -12.152 17.656 13.925 1.00 0.00 H new ATOM 891 N GLY A 383 -9.878 16.118 20.997 1.00 0.00 N ATOM 892 CA GLY A 383 -9.323 15.558 22.196 1.00 0.00 C ATOM 893 C GLY A 383 -10.386 15.418 23.245 1.00 0.00 C ATOM 894 O GLY A 383 -11.577 15.481 22.930 1.00 0.00 O ATOM 0 H GLY A 383 -10.764 16.605 21.130 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -8.884 14.584 21.981 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -8.520 16.195 22.565 1.00 0.00 H new ATOM 898 N SER A 384 -9.983 15.239 24.482 1.00 0.00 N ATOM 899 CA SER A 384 -10.929 15.120 25.568 1.00 0.00 C ATOM 900 C SER A 384 -11.396 16.503 26.011 1.00 0.00 C ATOM 901 O SER A 384 -10.978 17.016 27.054 1.00 0.00 O ATOM 902 CB SER A 384 -10.295 14.360 26.727 1.00 0.00 C ATOM 903 OG SER A 384 -9.004 14.875 27.024 1.00 0.00 O ATOM 0 H SER A 384 -9.004 15.172 24.762 1.00 0.00 H new ATOM 0 HA SER A 384 -11.800 14.561 25.227 1.00 0.00 H new ATOM 0 HB2 SER A 384 -10.932 14.434 27.608 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.220 13.302 26.476 1.00 0.00 H new ATOM 0 HG SER A 384 -9.061 15.844 27.157 1.00 0.00 H new ATOM 909 N ALA A 385 -12.243 17.106 25.207 1.00 0.00 N ATOM 910 CA ALA A 385 -12.725 18.439 25.471 1.00 0.00 C ATOM 911 C ALA A 385 -14.161 18.591 24.989 1.00 0.00 C ATOM 912 O ALA A 385 -14.904 17.612 24.902 1.00 0.00 O ATOM 913 CB ALA A 385 -11.816 19.458 24.788 1.00 0.00 C ATOM 0 H ALA A 385 -12.615 16.686 24.355 1.00 0.00 H new ATOM 0 HA ALA A 385 -12.710 18.618 26.546 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -12.182 20.465 24.989 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -10.802 19.357 25.174 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -11.814 19.281 23.713 1.00 0.00 H new ATOM 919 N TRP A 386 -14.540 19.823 24.690 1.00 0.00 N ATOM 920 CA TRP A 386 -15.881 20.144 24.209 1.00 0.00 C ATOM 921 C TRP A 386 -16.190 19.418 22.897 1.00 0.00 C ATOM 922 O TRP A 386 -17.321 18.992 22.661 1.00 0.00 O ATOM 923 CB TRP A 386 -16.004 21.664 23.988 1.00 0.00 C ATOM 924 CG TRP A 386 -15.162 22.181 22.842 1.00 0.00 C ATOM 925 CD1 TRP A 386 -13.804 22.323 22.818 1.00 0.00 C ATOM 926 CD2 TRP A 386 -15.627 22.611 21.555 1.00 0.00 C ATOM 927 NE1 TRP A 386 -13.399 22.810 21.605 1.00 0.00 N ATOM 928 CE2 TRP A 386 -14.496 23.000 20.812 1.00 0.00 C ATOM 929 CE3 TRP A 386 -16.886 22.707 20.961 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -14.589 23.473 19.507 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -16.976 23.178 19.665 1.00 0.00 C ATOM 932 CH2 TRP A 386 -15.834 23.555 18.952 1.00 0.00 C ATOM 0 H TRP A 386 -13.927 20.634 24.773 1.00 0.00 H new ATOM 0 HA TRP A 386 -16.596 19.815 24.963 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -17.049 21.912 23.801 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -15.713 22.180 24.903 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.144 22.085 23.639 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -12.434 23.001 21.336 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -17.774 22.418 21.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -13.709 23.765 18.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -17.945 23.256 19.195 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -15.939 23.919 17.941 1.00 0.00 H new ATOM 943 N TYR A 387 -15.177 19.274 22.064 1.00 0.00 N ATOM 944 CA TYR A 387 -15.355 18.718 20.750 1.00 0.00 C ATOM 945 C TYR A 387 -15.319 17.197 20.771 1.00 0.00 C ATOM 946 O TYR A 387 -14.339 16.586 21.204 1.00 0.00 O ATOM 947 CB TYR A 387 -14.293 19.263 19.800 1.00 0.00 C ATOM 948 CG TYR A 387 -14.651 19.097 18.339 1.00 0.00 C ATOM 949 CD1 TYR A 387 -14.490 17.877 17.696 1.00 0.00 C ATOM 950 CD2 TYR A 387 -15.166 20.158 17.608 1.00 0.00 C ATOM 951 CE1 TYR A 387 -14.830 17.721 16.371 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.511 20.009 16.280 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.340 18.787 15.666 1.00 0.00 C ATOM 954 OH TYR A 387 -15.689 18.626 14.346 1.00 0.00 O ATOM 0 H TYR A 387 -14.217 19.539 22.283 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.341 19.017 20.394 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.137 20.321 20.010 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.348 18.756 19.995 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -14.091 17.036 18.244 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -15.299 21.117 18.086 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -14.697 16.765 15.886 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -15.912 20.844 15.726 1.00 0.00 H new ATOM 0 HH TYR A 387 -16.034 19.473 13.993 1.00 0.00 H new ATOM 964 N ASN A 388 -16.392 16.600 20.297 1.00 0.00 N ATOM 965 CA ASN A 388 -16.506 15.156 20.217 1.00 0.00 C ATOM 966 C ASN A 388 -16.510 14.715 18.762 1.00 0.00 C ATOM 967 O ASN A 388 -17.028 15.420 17.892 1.00 0.00 O ATOM 968 CB ASN A 388 -17.785 14.672 20.920 1.00 0.00 C ATOM 969 CG ASN A 388 -19.051 15.297 20.345 1.00 0.00 C ATOM 970 OD1 ASN A 388 -19.473 16.365 20.775 1.00 0.00 O ATOM 971 ND2 ASN A 388 -19.668 14.633 19.385 1.00 0.00 N ATOM 0 H ASN A 388 -17.212 17.101 19.955 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.648 14.713 20.722 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -17.851 13.587 20.836 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -17.720 14.906 21.983 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -20.525 15.006 18.976 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.288 13.747 19.052 1.00 0.00 H new ATOM 978 N CYS A 389 -15.928 13.562 18.498 1.00 0.00 N ATOM 979 CA CYS A 389 -15.879 13.025 17.154 1.00 0.00 C ATOM 980 C CYS A 389 -16.007 11.514 17.202 1.00 0.00 C ATOM 981 O CYS A 389 -15.794 10.897 18.250 1.00 0.00 O ATOM 982 CB CYS A 389 -14.569 13.426 16.461 1.00 0.00 C ATOM 983 SG CYS A 389 -14.521 13.110 14.668 1.00 0.00 S ATOM 0 H CYS A 389 -15.480 12.976 19.202 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.709 13.436 16.580 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.395 14.488 16.633 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.746 12.888 16.932 1.00 0.00 H new ATOM 988 N ASN A 390 -16.327 10.928 16.081 1.00 0.00 N ATOM 989 CA ASN A 390 -16.495 9.494 15.982 1.00 0.00 C ATOM 990 C ASN A 390 -15.216 8.832 15.478 1.00 0.00 C ATOM 991 O ASN A 390 -15.159 8.317 14.369 1.00 0.00 O ATOM 992 CB ASN A 390 -17.705 9.128 15.086 1.00 0.00 C ATOM 993 CG ASN A 390 -17.670 9.771 13.696 1.00 0.00 C ATOM 994 OD1 ASN A 390 -17.190 10.895 13.519 1.00 0.00 O ATOM 995 ND2 ASN A 390 -18.182 9.062 12.711 1.00 0.00 N ATOM 0 H ASN A 390 -16.480 11.428 15.205 1.00 0.00 H new ATOM 0 HA ASN A 390 -16.701 9.112 16.982 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -17.745 8.045 14.973 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -18.622 9.430 15.591 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -18.191 9.438 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -18.569 8.137 12.896 1.00 0.00 H new ATOM 1002 N ARG A 391 -14.179 8.863 16.307 1.00 0.00 N ATOM 1003 CA ARG A 391 -12.902 8.262 15.939 1.00 0.00 C ATOM 1004 C ARG A 391 -12.958 6.767 16.188 1.00 0.00 C ATOM 1005 O ARG A 391 -12.563 5.961 15.348 1.00 0.00 O ATOM 1006 CB ARG A 391 -11.722 8.841 16.756 1.00 0.00 C ATOM 1007 CG ARG A 391 -11.762 10.339 17.042 1.00 0.00 C ATOM 1008 CD ARG A 391 -12.589 10.645 18.284 1.00 0.00 C ATOM 1009 NE ARG A 391 -12.205 11.905 18.912 1.00 0.00 N ATOM 1010 CZ ARG A 391 -12.830 12.448 19.961 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -13.922 11.881 20.463 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -12.357 13.561 20.507 1.00 0.00 N ATOM 0 H ARG A 391 -14.196 9.294 17.231 1.00 0.00 H new ATOM 0 HA ARG A 391 -12.735 8.485 14.885 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -11.675 8.313 17.708 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -10.797 8.620 16.223 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -10.747 10.712 17.178 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -12.183 10.864 16.184 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -13.644 10.684 18.014 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -12.473 9.834 19.003 1.00 0.00 H new ATOM 0 HE ARG A 391 -11.405 12.405 18.524 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -14.289 11.025 20.047 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -14.393 12.302 21.264 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -11.519 14.000 20.126 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -12.832 13.978 21.308 1.00 0.00 H new ATOM 1026 N TYR A 392 -13.458 6.413 17.358 1.00 0.00 N ATOM 1027 CA TYR A 392 -13.543 5.030 17.777 1.00 0.00 C ATOM 1028 C TYR A 392 -14.979 4.650 18.123 1.00 0.00 C ATOM 1029 O TYR A 392 -15.375 3.496 17.983 1.00 0.00 O ATOM 1030 CB TYR A 392 -12.612 4.785 18.979 1.00 0.00 C ATOM 1031 CG TYR A 392 -12.755 5.806 20.098 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -13.699 5.642 21.103 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -11.945 6.936 20.140 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -13.834 6.573 22.114 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -12.073 7.870 21.149 1.00 0.00 C ATOM 1036 CZ TYR A 392 -13.019 7.686 22.132 1.00 0.00 C ATOM 1037 OH TYR A 392 -13.152 8.617 23.136 1.00 0.00 O ATOM 0 H TYR A 392 -13.816 7.078 18.043 1.00 0.00 H new ATOM 0 HA TYR A 392 -13.222 4.399 16.949 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -12.811 3.792 19.381 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -11.579 4.787 18.630 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -14.338 4.772 21.094 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -11.203 7.086 19.370 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -14.574 6.430 22.887 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -11.434 8.741 21.167 1.00 0.00 H new ATOM 0 HH TYR A 392 -12.502 9.338 23.002 1.00 0.00 H new ATOM 1047 N ASN A 393 -15.753 5.626 18.569 1.00 0.00 N ATOM 1048 CA ASN A 393 -17.140 5.392 18.937 1.00 0.00 C ATOM 1049 C ASN A 393 -18.057 5.772 17.791 1.00 0.00 C ATOM 1050 O ASN A 393 -18.105 6.934 17.387 1.00 0.00 O ATOM 1051 CB ASN A 393 -17.511 6.195 20.195 1.00 0.00 C ATOM 1052 CG ASN A 393 -18.943 5.951 20.655 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -19.208 5.031 21.424 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -19.867 6.778 20.194 1.00 0.00 N ATOM 0 H ASN A 393 -15.443 6.591 18.685 1.00 0.00 H new ATOM 0 HA ASN A 393 -17.263 4.331 19.154 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -16.826 5.933 21.002 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -17.376 7.258 19.994 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -20.840 6.663 20.476 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -19.606 7.530 19.556 1.00 0.00 H new ATOM 1061 N GLU A 394 -18.771 4.795 17.270 1.00 0.00 N ATOM 1062 CA GLU A 394 -19.685 5.018 16.166 1.00 0.00 C ATOM 1063 C GLU A 394 -20.924 5.754 16.647 1.00 0.00 C ATOM 1064 O GLU A 394 -21.444 5.479 17.732 1.00 0.00 O ATOM 1065 CB GLU A 394 -20.083 3.692 15.534 1.00 0.00 C ATOM 1066 CG GLU A 394 -18.906 2.891 15.008 1.00 0.00 C ATOM 1067 CD GLU A 394 -19.298 1.505 14.558 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -19.817 1.360 13.427 1.00 0.00 O1- ATOM 1069 OE2 GLU A 394 -19.081 0.546 15.329 1.00 0.00 O ATOM 0 H GLU A 394 -18.735 3.829 17.597 1.00 0.00 H new ATOM 0 HA GLU A 394 -19.180 5.629 15.418 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -20.618 3.094 16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -20.776 3.883 14.715 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -18.453 3.425 14.173 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -18.147 2.814 15.787 1.00 0.00 H new ATOM 1076 N ASP A 395 -21.399 6.670 15.834 1.00 0.00 N ATOM 1077 CA ASP A 395 -22.576 7.457 16.165 1.00 0.00 C ATOM 1078 C ASP A 395 -23.820 6.635 15.935 1.00 0.00 C ATOM 1079 O ASP A 395 -24.812 6.758 16.654 1.00 0.00 O ATOM 1080 CB ASP A 395 -22.619 8.729 15.317 1.00 0.00 C ATOM 1081 CG ASP A 395 -23.862 9.557 15.565 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -23.980 10.143 16.661 1.00 0.00 O1- ATOM 1083 OD2 ASP A 395 -24.725 9.634 14.667 1.00 0.00 O ATOM 0 H ASP A 395 -20.987 6.893 14.928 1.00 0.00 H new ATOM 0 HA ASP A 395 -22.527 7.743 17.216 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -21.737 9.333 15.531 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -22.572 8.459 14.262 1.00 0.00 H new ATOM 1088 N ASP A 396 -23.752 5.781 14.944 1.00 0.00 N ATOM 1089 CA ASP A 396 -24.848 4.913 14.600 1.00 0.00 C ATOM 1090 C ASP A 396 -24.405 3.467 14.703 1.00 0.00 C ATOM 1091 O ASP A 396 -24.630 2.851 15.760 1.00 0.00 O ATOM 1092 CB ASP A 396 -25.343 5.223 13.192 1.00 0.00 C ATOM 1093 CG ASP A 396 -26.488 4.332 12.765 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -27.617 4.527 13.265 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -26.272 3.440 11.917 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -23.800 2.964 13.743 1.00 0.00 O ATOM 0 H ASP A 396 -22.930 5.669 14.351 1.00 0.00 H new ATOM 0 HA ASP A 396 -25.670 5.080 15.296 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -25.662 6.264 13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -24.518 5.110 12.488 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.343 20.243 2.835 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.067 14.310 13.571 1.00 0.00 ZN