USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=19 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 390 ASN : amide:sc= 0.778 K(o=1.7,f=-1.3) USER MOD Set 1.2: A 393 ASN : amide:sc= 0.879 K(o=1.7,f=-0.021) USER MOD Set 2.1: A 364 ASN : amide:sc= 2.03 K(o=2.7,f=-4.5!) USER MOD Set 2.2: A 366 ASN : amide:sc= 0.659 K(o=2.7,f=1.4) USER MOD Set 3.1: A 353 LYS NZ :NH3+ -147:sc= -0.0617 (180deg=-0.576) USER MOD Set 3.2: A 358 ASN : amide:sc= 0.0463 K(o=-0.015,f=-8.4!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ -162:sc= -0.0813 (180deg=-0.376) USER MOD Single : A 327 CYS SG : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 334 SER OG : rot 81:sc= 0.569 USER MOD Single : A 335 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.058) USER MOD Single : A 340 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0094) USER MOD Single : A 341 THR OG1 : rot -155:sc= -1.1 USER MOD Single : A 342 LYS NZ :NH3+ -162:sc= 0.996 (180deg=0.842) USER MOD Single : A 346 LYS NZ :NH3+ -160:sc= 0.98 (180deg=-0.158) USER MOD Single : A 348 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.03) USER MOD Single : A 350 THR OG1 : rot -15:sc= 0.395 USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 359 HIS : no HD1:sc= 0.0211 K(o=0.021,f=-2.8!) USER MOD Single : A 360 MET CE :methyl -126:sc= -1.78 (180deg=-5.5!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.483 F(o=-4.2!,f=-0.48) USER MOD Single : A 368 LYS NZ :NH3+ -128:sc= -0.592 (180deg=-1.88!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 -12.092 -1.456 -26.359 1.00 0.00 N ATOM 2 CA GLY A 323 -12.914 -0.450 -27.060 1.00 0.00 C ATOM 3 C GLY A 323 -12.553 0.961 -26.657 1.00 0.00 C ATOM 4 O GLY A 323 -11.444 1.427 -26.930 1.00 0.00 O ATOM 0 HA2 GLY A 323 -12.785 -0.563 -28.136 1.00 0.00 H new ATOM 0 HA3 GLY A 323 -13.967 -0.630 -26.845 1.00 0.00 H new ATOM 10 N SER A 324 -13.481 1.647 -26.017 1.00 0.00 N ATOM 11 CA SER A 324 -13.252 3.005 -25.570 1.00 0.00 C ATOM 12 C SER A 324 -12.411 3.005 -24.294 1.00 0.00 C ATOM 13 O SER A 324 -12.551 2.117 -23.452 1.00 0.00 O ATOM 14 CB SER A 324 -14.590 3.700 -25.327 1.00 0.00 C ATOM 15 OG SER A 324 -15.423 3.607 -26.476 1.00 0.00 O ATOM 0 H SER A 324 -14.407 1.281 -25.794 1.00 0.00 H new ATOM 0 HA SER A 324 -12.707 3.549 -26.342 1.00 0.00 H new ATOM 0 HB2 SER A 324 -15.091 3.246 -24.472 1.00 0.00 H new ATOM 0 HB3 SER A 324 -14.421 4.748 -25.079 1.00 0.00 H new ATOM 0 HG SER A 324 -16.276 4.057 -26.299 1.00 0.00 H new ATOM 21 N LYS A 325 -11.533 3.984 -24.158 1.00 0.00 N ATOM 22 CA LYS A 325 -10.678 4.081 -22.998 1.00 0.00 C ATOM 23 C LYS A 325 -10.246 5.517 -22.773 1.00 0.00 C ATOM 24 O LYS A 325 -10.318 6.350 -23.680 1.00 0.00 O ATOM 25 CB LYS A 325 -9.434 3.195 -23.167 1.00 0.00 C ATOM 26 CG LYS A 325 -8.565 3.566 -24.368 1.00 0.00 C ATOM 27 CD LYS A 325 -7.247 2.800 -24.376 1.00 0.00 C ATOM 28 CE LYS A 325 -7.468 1.300 -24.492 1.00 0.00 C ATOM 29 NZ LYS A 325 -6.189 0.543 -24.450 1.00 0.00 N1+ ATOM 0 H LYS A 325 -11.397 4.726 -24.845 1.00 0.00 H new ATOM 0 HA LYS A 325 -11.246 3.738 -22.133 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -8.830 3.258 -22.262 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -9.751 2.157 -23.268 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -9.111 3.359 -25.288 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -8.362 4.637 -24.352 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -6.632 3.143 -25.208 1.00 0.00 H new ATOM 0 HD3 LYS A 325 -6.695 3.017 -23.462 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -8.114 0.965 -23.681 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -7.988 1.081 -25.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -6.385 -0.475 -24.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -5.582 0.843 -25.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -5.704 0.731 -23.549 1.00 0.00 H new ATOM 43 N LYS A 326 -9.826 5.805 -21.567 1.00 0.00 N ATOM 44 CA LYS A 326 -9.299 7.113 -21.234 1.00 0.00 C ATOM 45 C LYS A 326 -7.795 7.016 -21.034 1.00 0.00 C ATOM 46 O LYS A 326 -7.212 5.930 -21.149 1.00 0.00 O ATOM 47 CB LYS A 326 -9.959 7.695 -19.973 1.00 0.00 C ATOM 48 CG LYS A 326 -11.403 8.156 -20.147 1.00 0.00 C ATOM 49 CD LYS A 326 -12.383 6.993 -20.150 1.00 0.00 C ATOM 50 CE LYS A 326 -13.819 7.485 -20.253 1.00 0.00 C ATOM 51 NZ LYS A 326 -14.176 8.407 -19.141 1.00 0.00 N1+ ATOM 0 H LYS A 326 -9.838 5.146 -20.789 1.00 0.00 H new ATOM 0 HA LYS A 326 -9.524 7.787 -22.061 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -9.928 6.942 -19.186 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -9.364 8.541 -19.629 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -11.662 8.844 -19.343 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -11.496 8.709 -21.082 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -12.162 6.330 -20.986 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -12.260 6.408 -19.238 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -13.959 7.995 -21.206 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -14.496 6.631 -20.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -15.211 8.477 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -13.789 8.040 -18.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -13.778 9.349 -19.330 1.00 0.00 H new ATOM 65 N CYS A 327 -7.171 8.130 -20.731 1.00 0.00 N ATOM 66 CA CYS A 327 -5.738 8.162 -20.541 1.00 0.00 C ATOM 67 C CYS A 327 -5.392 8.506 -19.097 1.00 0.00 C ATOM 68 O CYS A 327 -6.275 8.643 -18.250 1.00 0.00 O ATOM 69 CB CYS A 327 -5.108 9.177 -21.495 1.00 0.00 C ATOM 70 SG CYS A 327 -5.439 8.847 -23.242 1.00 0.00 S ATOM 0 H CYS A 327 -7.635 9.030 -20.610 1.00 0.00 H new ATOM 0 HA CYS A 327 -5.337 7.173 -20.760 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -5.478 10.172 -21.247 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -4.030 9.189 -21.336 1.00 0.00 H new ATOM 0 HG CYS A 327 -4.868 9.759 -23.972 1.00 0.00 H new ATOM 76 N ASP A 328 -4.104 8.627 -18.819 1.00 0.00 N ATOM 77 CA ASP A 328 -3.633 8.984 -17.483 1.00 0.00 C ATOM 78 C ASP A 328 -3.439 10.486 -17.393 1.00 0.00 C ATOM 79 O ASP A 328 -2.966 11.011 -16.384 1.00 0.00 O ATOM 80 CB ASP A 328 -2.312 8.271 -17.163 1.00 0.00 C ATOM 81 CG ASP A 328 -2.419 6.763 -17.233 1.00 0.00 C ATOM 82 OD1 ASP A 328 -2.364 6.214 -18.355 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 -2.562 6.118 -16.178 1.00 0.00 O ATOM 0 H ASP A 328 -3.360 8.483 -19.502 1.00 0.00 H new ATOM 0 HA ASP A 328 -4.382 8.668 -16.756 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -1.546 8.608 -17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -1.983 8.560 -16.165 1.00 0.00 H new ATOM 88 N ASP A 329 -3.813 11.171 -18.464 1.00 0.00 N ATOM 89 CA ASP A 329 -3.671 12.620 -18.555 1.00 0.00 C ATOM 90 C ASP A 329 -4.747 13.323 -17.748 1.00 0.00 C ATOM 91 O ASP A 329 -4.486 14.330 -17.084 1.00 0.00 O ATOM 92 CB ASP A 329 -3.746 13.071 -20.016 1.00 0.00 C ATOM 93 CG ASP A 329 -3.627 14.576 -20.175 1.00 0.00 C ATOM 94 OD1 ASP A 329 -2.492 15.091 -20.121 1.00 0.00 O ATOM 95 OD2 ASP A 329 -4.661 15.248 -20.366 1.00 0.00 O1- ATOM 0 H ASP A 329 -4.223 10.741 -19.293 1.00 0.00 H new ATOM 0 HA ASP A 329 -2.697 12.888 -18.145 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -2.950 12.587 -20.582 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -4.691 12.739 -20.446 1.00 0.00 H new ATOM 100 N ASP A 330 -5.948 12.787 -17.803 1.00 0.00 N ATOM 101 CA ASP A 330 -7.078 13.370 -17.100 1.00 0.00 C ATOM 102 C ASP A 330 -7.102 12.925 -15.642 1.00 0.00 C ATOM 103 O ASP A 330 -6.301 12.084 -15.221 1.00 0.00 O ATOM 104 CB ASP A 330 -8.391 12.998 -17.792 1.00 0.00 C ATOM 105 CG ASP A 330 -8.616 11.510 -17.851 1.00 0.00 C ATOM 106 OD1 ASP A 330 -9.144 10.951 -16.877 1.00 0.00 O ATOM 107 OD2 ASP A 330 -8.258 10.891 -18.876 1.00 0.00 O1- ATOM 0 H ASP A 330 -6.171 11.943 -18.330 1.00 0.00 H new ATOM 0 HA ASP A 330 -6.967 14.454 -17.123 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -9.221 13.466 -17.263 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -8.390 13.402 -18.805 1.00 0.00 H new ATOM 112 N SER A 331 -8.019 13.487 -14.879 1.00 0.00 N ATOM 113 CA SER A 331 -8.124 13.179 -13.461 1.00 0.00 C ATOM 114 C SER A 331 -9.326 12.272 -13.177 1.00 0.00 C ATOM 115 O SER A 331 -9.742 12.118 -12.025 1.00 0.00 O ATOM 116 CB SER A 331 -8.251 14.476 -12.665 1.00 0.00 C ATOM 117 OG SER A 331 -7.254 15.412 -13.061 1.00 0.00 O ATOM 0 H SER A 331 -8.705 14.162 -15.216 1.00 0.00 H new ATOM 0 HA SER A 331 -7.222 12.647 -13.157 1.00 0.00 H new ATOM 0 HB2 SER A 331 -9.241 14.906 -12.817 1.00 0.00 H new ATOM 0 HB3 SER A 331 -8.156 14.265 -11.600 1.00 0.00 H new ATOM 0 HG SER A 331 -7.354 16.236 -12.540 1.00 0.00 H new ATOM 123 N GLU A 332 -9.857 11.648 -14.223 1.00 0.00 N ATOM 124 CA GLU A 332 -11.031 10.795 -14.088 1.00 0.00 C ATOM 125 C GLU A 332 -10.647 9.380 -13.663 1.00 0.00 C ATOM 126 O GLU A 332 -11.461 8.465 -13.714 1.00 0.00 O ATOM 127 CB GLU A 332 -11.828 10.763 -15.391 1.00 0.00 C ATOM 128 CG GLU A 332 -12.390 12.114 -15.798 1.00 0.00 C ATOM 129 CD GLU A 332 -13.310 12.693 -14.747 1.00 0.00 C ATOM 130 OE1 GLU A 332 -14.474 12.245 -14.660 1.00 0.00 O1- ATOM 131 OE2 GLU A 332 -12.876 13.593 -14.001 1.00 0.00 O ATOM 0 H GLU A 332 -9.493 11.717 -15.173 1.00 0.00 H new ATOM 0 HA GLU A 332 -11.659 11.220 -13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -11.186 10.391 -16.190 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -12.650 10.054 -15.286 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -11.568 12.807 -15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -12.934 12.011 -16.737 1.00 0.00 H new ATOM 138 N THR A 333 -9.414 9.213 -13.236 1.00 0.00 N ATOM 139 CA THR A 333 -8.933 7.936 -12.770 1.00 0.00 C ATOM 140 C THR A 333 -9.201 7.773 -11.274 1.00 0.00 C ATOM 141 O THR A 333 -8.802 6.787 -10.665 1.00 0.00 O ATOM 142 CB THR A 333 -7.429 7.812 -13.030 1.00 0.00 C ATOM 143 OG1 THR A 333 -6.778 9.037 -12.658 1.00 0.00 O ATOM 144 CG2 THR A 333 -7.151 7.511 -14.493 1.00 0.00 C ATOM 0 H THR A 333 -8.720 9.959 -13.203 1.00 0.00 H new ATOM 0 HA THR A 333 -9.463 7.154 -13.314 1.00 0.00 H new ATOM 0 HB THR A 333 -7.041 6.988 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 333 -5.815 8.959 -12.822 1.00 0.00 H new ATOM 0 HG21 THR A 333 -6.075 7.428 -14.649 1.00 0.00 H new ATOM 0 HG22 THR A 333 -7.631 6.572 -14.769 1.00 0.00 H new ATOM 0 HG23 THR A 333 -7.547 8.316 -15.112 1.00 0.00 H new ATOM 152 N SER A 334 -9.919 8.731 -10.705 1.00 0.00 N ATOM 153 CA SER A 334 -10.206 8.747 -9.272 1.00 0.00 C ATOM 154 C SER A 334 -11.301 7.754 -8.883 1.00 0.00 C ATOM 155 O SER A 334 -11.967 7.922 -7.862 1.00 0.00 O ATOM 156 CB SER A 334 -10.604 10.153 -8.844 1.00 0.00 C ATOM 157 OG SER A 334 -9.632 11.106 -9.260 1.00 0.00 O ATOM 0 H SER A 334 -10.319 9.517 -11.218 1.00 0.00 H new ATOM 0 HA SER A 334 -9.297 8.441 -8.754 1.00 0.00 H new ATOM 0 HB2 SER A 334 -11.574 10.407 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 334 -10.714 10.190 -7.760 1.00 0.00 H new ATOM 0 HG SER A 334 -9.781 11.336 -10.201 1.00 0.00 H new ATOM 163 N ASN A 335 -11.445 6.699 -9.664 1.00 0.00 N ATOM 164 CA ASN A 335 -12.455 5.692 -9.393 1.00 0.00 C ATOM 165 C ASN A 335 -12.104 4.899 -8.145 1.00 0.00 C ATOM 166 O ASN A 335 -12.966 4.274 -7.533 1.00 0.00 O ATOM 167 CB ASN A 335 -12.632 4.736 -10.583 1.00 0.00 C ATOM 168 CG ASN A 335 -11.374 3.936 -10.890 1.00 0.00 C ATOM 169 OD1 ASN A 335 -11.144 2.869 -10.324 1.00 0.00 O ATOM 170 ND2 ASN A 335 -10.564 4.436 -11.795 1.00 0.00 N ATOM 0 H ASN A 335 -10.876 6.517 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 335 -13.397 6.215 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -13.451 4.049 -10.372 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -12.916 5.310 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -9.712 3.936 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -10.787 5.324 -12.244 1.00 0.00 H new ATOM 177 N TRP A 336 -10.841 4.940 -7.758 1.00 0.00 N ATOM 178 CA TRP A 336 -10.407 4.200 -6.592 1.00 0.00 C ATOM 179 C TRP A 336 -10.401 5.099 -5.367 1.00 0.00 C ATOM 180 O TRP A 336 -10.839 4.703 -4.287 1.00 0.00 O ATOM 181 CB TRP A 336 -9.032 3.541 -6.817 1.00 0.00 C ATOM 182 CG TRP A 336 -7.917 4.497 -7.133 1.00 0.00 C ATOM 183 CD1 TRP A 336 -7.679 5.113 -8.324 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.874 4.924 -6.245 1.00 0.00 C ATOM 185 NE1 TRP A 336 -6.568 5.910 -8.229 1.00 0.00 N ATOM 186 CE2 TRP A 336 -6.052 5.808 -6.966 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.561 4.648 -4.911 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.934 6.418 -6.398 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.453 5.253 -4.350 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.652 6.129 -5.092 1.00 0.00 C ATOM 0 H TRP A 336 -10.108 5.471 -8.229 1.00 0.00 H new ATOM 0 HA TRP A 336 -11.119 3.393 -6.418 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.765 2.977 -5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -9.118 2.824 -7.633 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -8.279 4.991 -9.214 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -6.187 6.487 -8.979 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.174 3.975 -4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -4.314 7.094 -6.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.200 5.046 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.793 6.586 -4.623 1.00 0.00 H new ATOM 201 N ILE A 337 -9.935 6.323 -5.558 1.00 0.00 N ATOM 202 CA ILE A 337 -9.891 7.326 -4.502 1.00 0.00 C ATOM 203 C ILE A 337 -11.287 7.577 -3.948 1.00 0.00 C ATOM 204 O ILE A 337 -11.450 7.881 -2.781 1.00 0.00 O ATOM 205 CB ILE A 337 -9.306 8.654 -5.050 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.898 8.418 -5.576 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.298 9.741 -3.979 1.00 0.00 C ATOM 208 CD1 ILE A 337 -7.386 9.517 -6.477 1.00 0.00 C ATOM 0 H ILE A 337 -9.575 6.652 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.252 6.953 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.942 8.998 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.219 8.310 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.879 7.475 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.882 10.659 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.317 9.926 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.689 9.416 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -6.377 9.274 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -8.041 9.612 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -7.370 10.459 -5.929 1.00 0.00 H new ATOM 220 N ALA A 338 -12.288 7.385 -4.802 1.00 0.00 N ATOM 221 CA ALA A 338 -13.695 7.602 -4.456 1.00 0.00 C ATOM 222 C ALA A 338 -14.094 6.944 -3.127 1.00 0.00 C ATOM 223 O ALA A 338 -14.956 7.458 -2.411 1.00 0.00 O ATOM 224 CB ALA A 338 -14.580 7.090 -5.578 1.00 0.00 C ATOM 0 H ALA A 338 -12.148 7.072 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.833 8.675 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.626 7.252 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -14.347 7.625 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.403 6.024 -5.723 1.00 0.00 H new ATOM 230 N ALA A 339 -13.475 5.815 -2.796 1.00 0.00 N ATOM 231 CA ALA A 339 -13.811 5.123 -1.559 1.00 0.00 C ATOM 232 C ALA A 339 -12.604 4.452 -0.920 1.00 0.00 C ATOM 233 O ALA A 339 -12.757 3.602 -0.040 1.00 0.00 O ATOM 234 CB ALA A 339 -14.914 4.106 -1.809 1.00 0.00 C ATOM 0 H ALA A 339 -12.750 5.367 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.165 5.876 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.156 3.595 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.801 4.616 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.576 3.377 -2.545 1.00 0.00 H new ATOM 240 N ASN A 340 -11.412 4.830 -1.339 1.00 0.00 N ATOM 241 CA ASN A 340 -10.201 4.239 -0.772 1.00 0.00 C ATOM 242 C ASN A 340 -9.258 5.300 -0.271 1.00 0.00 C ATOM 243 O ASN A 340 -8.272 5.004 0.407 1.00 0.00 O ATOM 244 CB ASN A 340 -9.491 3.352 -1.796 1.00 0.00 C ATOM 245 CG ASN A 340 -10.282 2.107 -2.132 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.140 1.073 -1.479 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.113 2.196 -3.143 1.00 0.00 N ATOM 0 H ASN A 340 -11.250 5.533 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.507 3.622 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.315 3.924 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.514 3.064 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.673 1.388 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.199 3.073 -3.657 1.00 0.00 H new ATOM 254 N THR A 341 -9.551 6.536 -0.597 1.00 0.00 N ATOM 255 CA THR A 341 -8.697 7.634 -0.208 1.00 0.00 C ATOM 256 C THR A 341 -9.481 8.934 -0.132 1.00 0.00 C ATOM 257 O THR A 341 -10.646 8.983 -0.502 1.00 0.00 O ATOM 258 CB THR A 341 -7.532 7.802 -1.210 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.618 6.802 -2.241 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.202 7.684 -0.503 1.00 0.00 C ATOM 0 H THR A 341 -10.376 6.808 -1.132 1.00 0.00 H new ATOM 0 HA THR A 341 -8.295 7.402 0.778 1.00 0.00 H new ATOM 0 HB THR A 341 -7.607 8.792 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.729 6.650 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.394 7.805 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.126 8.458 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.125 6.703 -0.034 1.00 0.00 H new ATOM 268 N LYS A 342 -8.849 9.974 0.377 1.00 0.00 N ATOM 269 CA LYS A 342 -9.457 11.289 0.431 1.00 0.00 C ATOM 270 C LYS A 342 -8.404 12.342 0.180 1.00 0.00 C ATOM 271 O LYS A 342 -7.225 12.020 -0.002 1.00 0.00 O ATOM 272 CB LYS A 342 -10.183 11.552 1.774 1.00 0.00 C ATOM 273 CG LYS A 342 -11.347 10.601 2.047 1.00 0.00 C ATOM 274 CD LYS A 342 -12.315 11.139 3.104 1.00 0.00 C ATOM 275 CE LYS A 342 -11.652 11.337 4.458 1.00 0.00 C ATOM 276 NZ LYS A 342 -12.657 11.563 5.534 1.00 0.00 N1+ ATOM 0 H LYS A 342 -7.906 9.932 0.762 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.218 11.336 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.462 11.470 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.555 12.577 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -11.891 10.423 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -10.955 9.639 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.728 12.089 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.151 10.448 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.050 10.461 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -10.972 12.188 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.191 11.989 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.399 12.204 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.084 10.655 5.807 1.00 0.00 H new ATOM 290 N GLU A 343 -8.812 13.583 0.165 1.00 0.00 N ATOM 291 CA GLU A 343 -7.895 14.672 -0.088 1.00 0.00 C ATOM 292 C GLU A 343 -7.906 15.657 1.066 1.00 0.00 C ATOM 293 O GLU A 343 -8.778 15.594 1.942 1.00 0.00 O ATOM 294 CB GLU A 343 -8.253 15.396 -1.394 1.00 0.00 C ATOM 295 CG GLU A 343 -8.310 14.486 -2.615 1.00 0.00 C ATOM 296 CD GLU A 343 -8.319 15.251 -3.917 1.00 0.00 C ATOM 297 OE1 GLU A 343 -9.404 15.695 -4.351 1.00 0.00 O1- ATOM 298 OE2 GLU A 343 -7.235 15.417 -4.519 1.00 0.00 O ATOM 0 H GLU A 343 -9.778 13.870 0.325 1.00 0.00 H new ATOM 0 HA GLU A 343 -6.894 14.251 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.220 15.884 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.519 16.182 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.453 13.813 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.204 13.865 -2.558 1.00 0.00 H new ATOM 305 N CYS A 344 -6.930 16.549 1.074 1.00 0.00 N ATOM 306 CA CYS A 344 -6.844 17.583 2.077 1.00 0.00 C ATOM 307 C CYS A 344 -8.024 18.528 1.940 1.00 0.00 C ATOM 308 O CYS A 344 -8.368 18.945 0.836 1.00 0.00 O ATOM 309 CB CYS A 344 -5.531 18.351 1.917 1.00 0.00 C ATOM 310 SG CYS A 344 -5.286 19.719 3.102 1.00 0.00 S ATOM 0 H CYS A 344 -6.179 16.572 0.384 1.00 0.00 H new ATOM 0 HA CYS A 344 -6.868 17.129 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.703 17.650 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.485 18.754 0.905 1.00 0.00 H new ATOM 315 N PRO A 345 -8.666 18.865 3.048 1.00 0.00 N ATOM 316 CA PRO A 345 -9.799 19.778 3.052 1.00 0.00 C ATOM 317 C PRO A 345 -9.349 21.235 2.983 1.00 0.00 C ATOM 318 O PRO A 345 -10.166 22.153 3.022 1.00 0.00 O ATOM 319 CB PRO A 345 -10.471 19.484 4.389 1.00 0.00 C ATOM 320 CG PRO A 345 -9.360 19.046 5.281 1.00 0.00 C ATOM 321 CD PRO A 345 -8.344 18.372 4.399 1.00 0.00 C ATOM 0 HA PRO A 345 -10.455 19.639 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -10.971 20.368 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.229 18.707 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.920 19.898 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.724 18.361 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.327 18.635 4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.422 17.286 4.457 1.00 0.00 H new ATOM 329 N LYS A 346 -8.052 21.430 2.880 1.00 0.00 N ATOM 330 CA LYS A 346 -7.478 22.743 2.827 1.00 0.00 C ATOM 331 C LYS A 346 -6.940 23.066 1.431 1.00 0.00 C ATOM 332 O LYS A 346 -7.365 24.045 0.803 1.00 0.00 O ATOM 333 CB LYS A 346 -6.390 22.858 3.893 1.00 0.00 C ATOM 334 CG LYS A 346 -5.369 23.929 3.633 1.00 0.00 C ATOM 335 CD LYS A 346 -4.702 24.365 4.914 1.00 0.00 C ATOM 336 CE LYS A 346 -3.679 25.445 4.656 1.00 0.00 C ATOM 337 NZ LYS A 346 -2.581 24.960 3.788 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.369 20.674 2.831 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.254 23.479 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.863 23.051 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.878 21.899 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.618 23.558 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.848 24.786 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -5.454 24.732 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.220 23.509 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.163 26.301 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -3.268 25.792 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -1.751 25.577 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -2.329 23.988 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -2.891 24.974 2.795 1.00 0.00 H new ATOM 351 N CYS A 347 -6.038 22.235 0.931 1.00 0.00 N ATOM 352 CA CYS A 347 -5.429 22.483 -0.372 1.00 0.00 C ATOM 353 C CYS A 347 -5.930 21.501 -1.424 1.00 0.00 C ATOM 354 O CYS A 347 -5.648 21.657 -2.618 1.00 0.00 O ATOM 355 CB CYS A 347 -3.909 22.427 -0.267 1.00 0.00 C ATOM 356 SG CYS A 347 -3.262 20.865 0.382 1.00 0.00 S ATOM 0 H CYS A 347 -5.712 21.390 1.400 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.724 23.483 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.482 22.601 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.571 23.241 0.374 1.00 0.00 H new ATOM 361 N HIS A 348 -6.669 20.497 -0.968 1.00 0.00 N ATOM 362 CA HIS A 348 -7.230 19.464 -1.829 1.00 0.00 C ATOM 363 C HIS A 348 -6.147 18.698 -2.557 1.00 0.00 C ATOM 364 O HIS A 348 -5.990 18.802 -3.774 1.00 0.00 O ATOM 365 CB HIS A 348 -8.267 20.023 -2.811 1.00 0.00 C ATOM 366 CG HIS A 348 -9.526 20.508 -2.154 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.740 19.929 -2.425 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.703 21.509 -1.259 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.625 20.587 -1.695 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.042 21.551 -0.974 1.00 0.00 N ATOM 0 H HIS A 348 -6.898 20.376 0.019 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.753 18.766 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.819 20.846 -3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.521 19.249 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -8.937 22.150 -0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.684 20.373 -1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.506 22.195 -0.334 1.00 0.00 H new ATOM 378 N VAL A 349 -5.381 17.964 -1.799 1.00 0.00 N ATOM 379 CA VAL A 349 -4.347 17.121 -2.339 1.00 0.00 C ATOM 380 C VAL A 349 -4.635 15.687 -1.940 1.00 0.00 C ATOM 381 O VAL A 349 -5.046 15.435 -0.809 1.00 0.00 O ATOM 382 CB VAL A 349 -2.933 17.545 -1.835 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.869 17.527 -0.323 1.00 0.00 C ATOM 384 CG2 VAL A 349 -1.849 16.656 -2.427 1.00 0.00 C ATOM 0 H VAL A 349 -5.456 17.933 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.345 17.221 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.754 18.566 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.873 17.826 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.606 18.221 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.082 16.521 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -0.875 16.975 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.027 15.621 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -1.868 16.734 -3.514 1.00 0.00 H new ATOM 394 N THR A 350 -4.470 14.763 -2.860 1.00 0.00 N ATOM 395 CA THR A 350 -4.721 13.372 -2.572 1.00 0.00 C ATOM 396 C THR A 350 -3.757 12.860 -1.519 1.00 0.00 C ATOM 397 O THR A 350 -2.541 12.820 -1.731 1.00 0.00 O ATOM 398 CB THR A 350 -4.614 12.520 -3.836 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.403 13.120 -4.876 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.117 11.109 -3.577 1.00 0.00 C ATOM 0 H THR A 350 -4.163 14.952 -3.814 1.00 0.00 H new ATOM 0 HA THR A 350 -5.738 13.292 -2.188 1.00 0.00 H new ATOM 0 HB THR A 350 -3.568 12.468 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 350 -6.007 13.785 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.032 10.519 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.519 10.648 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.161 11.146 -3.265 1.00 0.00 H new ATOM 408 N ILE A 351 -4.301 12.496 -0.383 1.00 0.00 N ATOM 409 CA ILE A 351 -3.515 12.005 0.714 1.00 0.00 C ATOM 410 C ILE A 351 -3.778 10.522 0.868 1.00 0.00 C ATOM 411 O ILE A 351 -4.340 9.906 -0.023 1.00 0.00 O ATOM 412 CB ILE A 351 -3.873 12.746 2.032 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.297 12.409 2.457 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.718 14.254 1.855 1.00 0.00 C ATOM 415 CD1 ILE A 351 -5.804 13.228 3.616 1.00 0.00 C ATOM 0 H ILE A 351 -5.303 12.533 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.460 12.183 0.508 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.187 12.416 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -5.962 12.553 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.345 11.353 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -3.973 14.758 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.687 14.485 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.384 14.598 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -6.824 12.927 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.164 13.066 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -5.791 14.284 3.348 1.00 0.00 H new ATOM 427 N GLU A 352 -3.381 9.957 1.983 1.00 0.00 N ATOM 428 CA GLU A 352 -3.606 8.547 2.235 1.00 0.00 C ATOM 429 C GLU A 352 -3.543 8.278 3.725 1.00 0.00 C ATOM 430 O GLU A 352 -2.560 8.611 4.383 1.00 0.00 O ATOM 431 CB GLU A 352 -2.584 7.692 1.487 1.00 0.00 C ATOM 432 CG GLU A 352 -2.946 6.218 1.434 1.00 0.00 C ATOM 433 CD GLU A 352 -1.958 5.408 0.626 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.120 5.327 -0.604 1.00 0.00 O ATOM 435 OE2 GLU A 352 -1.014 4.847 1.216 1.00 0.00 O1- ATOM 0 H GLU A 352 -2.899 10.450 2.734 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.597 8.278 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.482 8.069 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.611 7.802 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -2.992 5.822 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -3.941 6.107 1.003 1.00 0.00 H new ATOM 442 N LYS A 353 -4.608 7.701 4.255 1.00 0.00 N ATOM 443 CA LYS A 353 -4.714 7.436 5.682 1.00 0.00 C ATOM 444 C LYS A 353 -3.695 6.401 6.133 1.00 0.00 C ATOM 445 O LYS A 353 -3.397 5.447 5.410 1.00 0.00 O ATOM 446 CB LYS A 353 -6.131 6.979 6.023 1.00 0.00 C ATOM 447 CG LYS A 353 -6.357 6.631 7.489 1.00 0.00 C ATOM 448 CD LYS A 353 -6.278 7.846 8.401 1.00 0.00 C ATOM 449 CE LYS A 353 -6.614 7.473 9.843 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.882 6.686 9.957 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.420 7.404 3.713 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.500 8.361 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.829 7.767 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.372 6.106 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.335 6.162 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.614 5.898 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.276 8.274 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -6.968 8.613 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.793 6.893 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.701 8.382 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -8.357 6.921 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -8.509 6.920 9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -7.663 5.670 9.938 1.00 0.00 H new ATOM 464 N ASP A 354 -3.166 6.598 7.329 1.00 0.00 N ATOM 465 CA ASP A 354 -2.176 5.690 7.882 1.00 0.00 C ATOM 466 C ASP A 354 -2.849 4.429 8.392 1.00 0.00 C ATOM 467 O ASP A 354 -2.508 3.324 7.983 1.00 0.00 O ATOM 468 CB ASP A 354 -1.396 6.360 9.012 1.00 0.00 C ATOM 469 CG ASP A 354 -0.257 5.493 9.503 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.833 5.551 8.904 1.00 0.00 O ATOM 471 OD2 ASP A 354 -0.448 4.739 10.480 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.407 7.381 7.937 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.476 5.425 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -1.002 7.315 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -2.071 6.576 9.840 1.00 0.00 H new ATOM 476 N GLY A 355 -3.817 4.602 9.275 1.00 0.00 N ATOM 477 CA GLY A 355 -4.540 3.474 9.799 1.00 0.00 C ATOM 478 C GLY A 355 -5.176 3.764 11.137 1.00 0.00 C ATOM 479 O GLY A 355 -6.245 4.385 11.204 1.00 0.00 O ATOM 0 H GLY A 355 -4.113 5.508 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -5.313 3.181 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -3.862 2.627 9.899 1.00 0.00 H new ATOM 483 N GLY A 356 -4.516 3.339 12.200 1.00 0.00 N ATOM 484 CA GLY A 356 -5.042 3.528 13.533 1.00 0.00 C ATOM 485 C GLY A 356 -5.098 4.983 13.932 1.00 0.00 C ATOM 486 O GLY A 356 -6.152 5.483 14.311 1.00 0.00 O ATOM 0 H GLY A 356 -3.616 2.861 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -6.043 3.101 13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -4.422 2.983 14.245 1.00 0.00 H new ATOM 490 N SER A 357 -3.975 5.664 13.827 1.00 0.00 N ATOM 491 CA SER A 357 -3.888 7.064 14.208 1.00 0.00 C ATOM 492 C SER A 357 -4.767 7.939 13.311 1.00 0.00 C ATOM 493 O SER A 357 -4.727 7.830 12.082 1.00 0.00 O ATOM 494 CB SER A 357 -2.438 7.527 14.148 1.00 0.00 C ATOM 495 OG SER A 357 -1.612 6.683 14.940 1.00 0.00 O ATOM 0 H SER A 357 -3.102 5.269 13.478 1.00 0.00 H new ATOM 0 HA SER A 357 -4.254 7.165 15.230 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.090 7.520 13.115 1.00 0.00 H new ATOM 0 HB3 SER A 357 -2.363 8.555 14.503 1.00 0.00 H new ATOM 0 HG SER A 357 -0.684 6.993 14.889 1.00 0.00 H new ATOM 501 N ASN A 358 -5.554 8.803 13.935 1.00 0.00 N ATOM 502 CA ASN A 358 -6.462 9.689 13.221 1.00 0.00 C ATOM 503 C ASN A 358 -5.779 10.990 12.883 1.00 0.00 C ATOM 504 O ASN A 358 -6.279 11.768 12.064 1.00 0.00 O ATOM 505 CB ASN A 358 -7.713 9.971 14.052 1.00 0.00 C ATOM 506 CG ASN A 358 -8.667 8.798 14.101 1.00 0.00 C ATOM 507 OD1 ASN A 358 -8.753 8.006 13.159 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.394 8.678 15.196 1.00 0.00 N ATOM 0 H ASN A 358 -5.581 8.910 14.949 1.00 0.00 H new ATOM 0 HA ASN A 358 -6.756 9.189 12.298 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.416 10.234 15.067 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.231 10.836 13.637 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.057 7.908 15.286 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -9.292 9.355 15.952 1.00 0.00 H new ATOM 515 N HIS A 359 -4.636 11.227 13.526 1.00 0.00 N ATOM 516 CA HIS A 359 -3.854 12.429 13.299 1.00 0.00 C ATOM 517 C HIS A 359 -3.248 12.388 11.899 1.00 0.00 C ATOM 518 O HIS A 359 -2.109 11.966 11.705 1.00 0.00 O ATOM 519 CB HIS A 359 -2.754 12.552 14.367 1.00 0.00 C ATOM 520 CG HIS A 359 -2.150 13.926 14.498 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.514 14.312 15.653 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.102 14.948 13.606 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.095 15.545 15.439 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.426 15.973 14.217 1.00 0.00 N ATOM 0 H HIS A 359 -4.233 10.591 14.214 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.501 13.303 13.374 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.170 12.260 15.331 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -1.960 11.842 14.134 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.516 14.953 12.608 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.552 16.135 16.162 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.216 16.887 13.816 1.00 0.00 H new ATOM 532 N MET A 360 -4.040 12.781 10.936 1.00 0.00 N ATOM 533 CA MET A 360 -3.634 12.787 9.553 1.00 0.00 C ATOM 534 C MET A 360 -2.989 14.120 9.171 1.00 0.00 C ATOM 535 O MET A 360 -3.573 15.191 9.350 1.00 0.00 O ATOM 536 CB MET A 360 -4.839 12.449 8.649 1.00 0.00 C ATOM 537 CG MET A 360 -4.806 13.089 7.271 1.00 0.00 C ATOM 538 SD MET A 360 -3.469 12.472 6.237 1.00 0.00 S ATOM 539 CE MET A 360 -4.037 10.814 5.927 1.00 0.00 C ATOM 0 H MET A 360 -4.994 13.109 11.090 1.00 0.00 H new ATOM 0 HA MET A 360 -2.875 12.019 9.406 1.00 0.00 H new ATOM 0 HB2 MET A 360 -4.892 11.367 8.530 1.00 0.00 H new ATOM 0 HB3 MET A 360 -5.753 12.759 9.156 1.00 0.00 H new ATOM 0 HG2 MET A 360 -5.757 12.908 6.770 1.00 0.00 H new ATOM 0 HG3 MET A 360 -4.704 14.169 7.381 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.259 10.104 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 360 -4.934 10.621 6.515 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.266 10.700 4.868 1.00 0.00 H new ATOM 549 N VAL A 361 -1.779 14.038 8.657 1.00 0.00 N ATOM 550 CA VAL A 361 -1.032 15.211 8.251 1.00 0.00 C ATOM 551 C VAL A 361 -0.976 15.295 6.734 1.00 0.00 C ATOM 552 O VAL A 361 -0.637 14.309 6.064 1.00 0.00 O ATOM 553 CB VAL A 361 0.414 15.178 8.808 1.00 0.00 C ATOM 554 CG1 VAL A 361 1.145 16.482 8.508 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.413 14.883 10.304 1.00 0.00 C ATOM 0 H VAL A 361 -1.286 13.157 8.509 1.00 0.00 H new ATOM 0 HA VAL A 361 -1.544 16.085 8.654 1.00 0.00 H new ATOM 0 HB VAL A 361 0.950 14.372 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 361 2.157 16.432 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 361 1.190 16.634 7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.612 17.313 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.439 14.865 10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.147 15.658 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.054 13.915 10.484 1.00 0.00 H new ATOM 565 N CYS A 362 -1.311 16.464 6.199 1.00 0.00 N ATOM 566 CA CYS A 362 -1.296 16.700 4.762 1.00 0.00 C ATOM 567 C CYS A 362 0.057 16.342 4.159 1.00 0.00 C ATOM 568 O CYS A 362 1.101 16.485 4.803 1.00 0.00 O ATOM 569 CB CYS A 362 -1.621 18.160 4.465 1.00 0.00 C ATOM 570 SG CYS A 362 -1.741 18.557 2.698 1.00 0.00 S ATOM 0 H CYS A 362 -1.600 17.273 6.749 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.054 16.061 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.565 18.415 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.853 18.789 4.915 1.00 0.00 H new ATOM 575 N ARG A 363 0.029 15.893 2.929 1.00 0.00 N ATOM 576 CA ARG A 363 1.233 15.476 2.234 1.00 0.00 C ATOM 577 C ARG A 363 1.824 16.654 1.493 1.00 0.00 C ATOM 578 O ARG A 363 3.038 16.735 1.294 1.00 0.00 O ATOM 579 CB ARG A 363 0.910 14.366 1.239 1.00 0.00 C ATOM 580 CG ARG A 363 -0.235 13.462 1.674 1.00 0.00 C ATOM 581 CD ARG A 363 0.101 12.669 2.933 1.00 0.00 C ATOM 582 NE ARG A 363 1.030 11.576 2.660 1.00 0.00 N ATOM 583 CZ ARG A 363 1.622 10.830 3.592 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.457 11.106 4.883 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.396 9.815 3.231 1.00 0.00 N ATOM 0 H ARG A 363 -0.824 15.804 2.378 1.00 0.00 H new ATOM 0 HA ARG A 363 1.950 15.103 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.661 14.815 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.802 13.758 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.124 14.066 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.477 12.772 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 363 0.536 13.337 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -0.816 12.266 3.363 1.00 0.00 H new ATOM 0 HE ARG A 363 1.241 11.368 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.874 11.894 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.914 10.530 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.537 9.607 2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.851 9.242 3.942 1.00 0.00 H new ATOM 599 N ASN A 364 0.952 17.574 1.094 1.00 0.00 N ATOM 600 CA ASN A 364 1.358 18.751 0.353 1.00 0.00 C ATOM 601 C ASN A 364 2.356 19.564 1.151 1.00 0.00 C ATOM 602 O ASN A 364 2.060 20.045 2.238 1.00 0.00 O ATOM 603 CB ASN A 364 0.131 19.596 -0.031 1.00 0.00 C ATOM 604 CG ASN A 364 0.478 20.908 -0.716 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.552 21.063 -1.304 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.446 21.847 -0.671 1.00 0.00 N ATOM 0 H ASN A 364 -0.050 17.521 1.277 1.00 0.00 H new ATOM 0 HA ASN A 364 1.847 18.432 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.509 19.011 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.448 19.808 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.286 22.742 -1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.321 21.678 -0.174 1.00 0.00 H new ATOM 613 N GLN A 365 3.546 19.698 0.601 1.00 0.00 N ATOM 614 CA GLN A 365 4.635 20.432 1.243 1.00 0.00 C ATOM 615 C GLN A 365 4.354 21.928 1.295 1.00 0.00 C ATOM 616 O GLN A 365 5.065 22.680 1.949 1.00 0.00 O ATOM 617 CB GLN A 365 5.961 20.175 0.529 1.00 0.00 C ATOM 618 CG GLN A 365 5.849 20.100 -0.986 1.00 0.00 C ATOM 619 CD GLN A 365 5.695 18.668 -1.504 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.134 17.791 -0.687 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.098 18.355 -2.621 1.00 0.00 N flip ATOM 0 H GLN A 365 3.793 19.302 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 365 4.707 20.066 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.662 20.968 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.384 19.241 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 365 4.994 20.692 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.736 20.549 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.525 19.058 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.005 17.392 -2.945 1.00 0.00 H new ATOM 630 N ASN A 366 3.329 22.348 0.595 1.00 0.00 N ATOM 631 CA ASN A 366 2.919 23.742 0.594 1.00 0.00 C ATOM 632 C ASN A 366 1.759 23.934 1.562 1.00 0.00 C ATOM 633 O ASN A 366 1.165 25.005 1.643 1.00 0.00 O ATOM 634 CB ASN A 366 2.502 24.175 -0.816 1.00 0.00 C ATOM 635 CG ASN A 366 3.594 23.964 -1.839 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.451 24.824 -2.038 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.570 22.820 -2.501 1.00 0.00 N ATOM 0 H ASN A 366 2.754 21.741 0.011 1.00 0.00 H new ATOM 0 HA ASN A 366 3.760 24.358 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.616 23.615 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.223 25.229 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.280 22.624 -3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.842 22.133 -2.306 1.00 0.00 H new ATOM 644 N CYS A 367 1.461 22.881 2.308 1.00 0.00 N ATOM 645 CA CYS A 367 0.353 22.882 3.238 1.00 0.00 C ATOM 646 C CYS A 367 0.786 22.278 4.563 1.00 0.00 C ATOM 647 O CYS A 367 1.033 23.000 5.535 1.00 0.00 O ATOM 648 CB CYS A 367 -0.803 22.076 2.651 1.00 0.00 C ATOM 649 SG CYS A 367 -2.309 22.030 3.677 1.00 0.00 S ATOM 0 H CYS A 367 1.983 22.005 2.282 1.00 0.00 H new ATOM 0 HA CYS A 367 0.028 23.908 3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.058 22.492 1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.465 21.054 2.483 1.00 0.00 H new ATOM 654 N LYS A 368 0.902 20.945 4.583 1.00 0.00 N ATOM 655 CA LYS A 368 1.317 20.201 5.773 1.00 0.00 C ATOM 656 C LYS A 368 0.344 20.427 6.927 1.00 0.00 C ATOM 657 O LYS A 368 0.722 20.342 8.099 1.00 0.00 O ATOM 658 CB LYS A 368 2.724 20.621 6.176 1.00 0.00 C ATOM 659 CG LYS A 368 3.756 20.381 5.093 1.00 0.00 C ATOM 660 CD LYS A 368 4.921 21.349 5.197 1.00 0.00 C ATOM 661 CE LYS A 368 4.479 22.793 4.951 1.00 0.00 C ATOM 662 NZ LYS A 368 4.277 23.552 6.212 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.710 20.354 3.774 1.00 0.00 H new ATOM 0 HA LYS A 368 1.314 19.137 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.719 21.680 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 368 3.016 20.075 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 368 4.126 19.358 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.286 20.482 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.373 21.270 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.688 21.075 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.228 23.300 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.551 22.792 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 3.336 23.994 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 4.348 22.904 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 5.005 24.290 6.294 1.00 0.00 H new ATOM 676 N ALA A 369 -0.905 20.704 6.586 1.00 0.00 N ATOM 677 CA ALA A 369 -1.933 20.936 7.578 1.00 0.00 C ATOM 678 C ALA A 369 -2.289 19.646 8.300 1.00 0.00 C ATOM 679 O ALA A 369 -2.469 18.601 7.677 1.00 0.00 O ATOM 680 CB ALA A 369 -3.170 21.543 6.929 1.00 0.00 C ATOM 0 H ALA A 369 -1.229 20.773 5.621 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.545 21.641 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -3.934 21.711 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -2.907 22.492 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.556 20.860 6.172 1.00 0.00 H new ATOM 686 N GLU A 370 -2.367 19.723 9.603 1.00 0.00 N ATOM 687 CA GLU A 370 -2.719 18.583 10.414 1.00 0.00 C ATOM 688 C GLU A 370 -4.197 18.627 10.744 1.00 0.00 C ATOM 689 O GLU A 370 -4.670 19.553 11.409 1.00 0.00 O ATOM 690 CB GLU A 370 -1.875 18.567 11.683 1.00 0.00 C ATOM 691 CG GLU A 370 -0.387 18.491 11.396 1.00 0.00 C ATOM 692 CD GLU A 370 0.463 18.639 12.628 1.00 0.00 C ATOM 693 OE1 GLU A 370 0.524 17.695 13.431 1.00 0.00 O ATOM 694 OE2 GLU A 370 1.097 19.701 12.790 1.00 0.00 O1- ATOM 0 H GLU A 370 -2.189 20.576 10.133 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.517 17.666 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.083 19.465 12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.166 17.715 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.164 17.536 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.121 19.271 10.683 1.00 0.00 H new ATOM 701 N PHE A 371 -4.923 17.642 10.269 1.00 0.00 N ATOM 702 CA PHE A 371 -6.357 17.601 10.457 1.00 0.00 C ATOM 703 C PHE A 371 -6.826 16.201 10.795 1.00 0.00 C ATOM 704 O PHE A 371 -6.084 15.229 10.651 1.00 0.00 O ATOM 705 CB PHE A 371 -7.083 18.104 9.192 1.00 0.00 C ATOM 706 CG PHE A 371 -6.631 17.444 7.911 1.00 0.00 C ATOM 707 CD1 PHE A 371 -7.219 16.267 7.477 1.00 0.00 C ATOM 708 CD2 PHE A 371 -5.620 18.003 7.146 1.00 0.00 C ATOM 709 CE1 PHE A 371 -6.805 15.662 6.306 1.00 0.00 C ATOM 710 CE2 PHE A 371 -5.204 17.403 5.977 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.795 16.231 5.555 1.00 0.00 C ATOM 0 H PHE A 371 -4.543 16.853 9.746 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.600 18.257 11.293 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.154 17.940 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -6.933 19.180 9.105 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -8.009 15.818 8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -5.152 18.921 7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -7.271 14.745 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -4.415 17.851 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.469 15.759 4.640 1.00 0.00 H new ATOM 721 N CYS A 372 -8.056 16.105 11.247 1.00 0.00 N ATOM 722 CA CYS A 372 -8.646 14.828 11.535 1.00 0.00 C ATOM 723 C CYS A 372 -9.129 14.219 10.247 1.00 0.00 C ATOM 724 O CYS A 372 -10.019 14.754 9.620 1.00 0.00 O ATOM 725 CB CYS A 372 -9.816 14.985 12.499 1.00 0.00 C ATOM 726 SG CYS A 372 -10.638 13.414 12.939 1.00 0.00 S ATOM 0 H CYS A 372 -8.666 16.904 11.422 1.00 0.00 H new ATOM 0 HA CYS A 372 -7.901 14.183 12.001 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.459 15.464 13.411 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.552 15.655 12.054 1.00 0.00 H new ATOM 731 N TRP A 373 -8.526 13.131 9.844 1.00 0.00 N ATOM 732 CA TRP A 373 -8.928 12.449 8.624 1.00 0.00 C ATOM 733 C TRP A 373 -10.408 12.068 8.647 1.00 0.00 C ATOM 734 O TRP A 373 -11.097 12.171 7.628 1.00 0.00 O ATOM 735 CB TRP A 373 -8.067 11.196 8.415 1.00 0.00 C ATOM 736 CG TRP A 373 -8.694 10.149 7.526 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.631 9.234 7.896 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.419 9.907 6.145 1.00 0.00 C ATOM 739 NE1 TRP A 373 -9.959 8.435 6.834 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.227 8.823 5.747 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.575 10.493 5.211 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.210 8.318 4.453 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.557 9.989 3.927 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.368 8.914 3.559 1.00 0.00 C ATOM 0 H TRP A 373 -7.751 12.690 10.339 1.00 0.00 H new ATOM 0 HA TRP A 373 -8.777 13.139 7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.111 11.495 7.985 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -7.854 10.750 9.387 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.055 9.150 8.886 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.639 7.675 6.851 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -6.945 11.327 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -9.838 7.487 4.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -6.903 10.435 3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.328 8.546 2.545 1.00 0.00 H new ATOM 755 N VAL A 374 -10.885 11.633 9.809 1.00 0.00 N ATOM 756 CA VAL A 374 -12.250 11.131 9.957 1.00 0.00 C ATOM 757 C VAL A 374 -13.281 12.136 9.465 1.00 0.00 C ATOM 758 O VAL A 374 -13.976 11.896 8.473 1.00 0.00 O ATOM 759 CB VAL A 374 -12.561 10.763 11.425 1.00 0.00 C ATOM 760 CG1 VAL A 374 -13.946 10.138 11.544 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.498 9.826 11.976 1.00 0.00 C ATOM 0 H VAL A 374 -10.341 11.618 10.672 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.314 10.234 9.341 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.551 11.678 12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -14.144 9.887 12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -14.696 10.846 11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -13.990 9.233 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -11.733 9.577 13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.473 8.914 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.525 10.314 11.932 1.00 0.00 H new ATOM 771 N CYS A 375 -13.363 13.261 10.138 1.00 0.00 N ATOM 772 CA CYS A 375 -14.334 14.277 9.798 1.00 0.00 C ATOM 773 C CYS A 375 -13.738 15.320 8.864 1.00 0.00 C ATOM 774 O CYS A 375 -14.450 16.201 8.369 1.00 0.00 O ATOM 775 CB CYS A 375 -14.843 14.939 11.072 1.00 0.00 C ATOM 776 SG CYS A 375 -13.519 15.533 12.182 1.00 0.00 S ATOM 0 H CYS A 375 -12.765 13.497 10.930 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.165 13.801 9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.481 15.780 10.802 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.466 14.228 11.615 1.00 0.00 H new ATOM 781 N LEU A 376 -12.435 15.211 8.624 1.00 0.00 N ATOM 782 CA LEU A 376 -11.697 16.171 7.794 1.00 0.00 C ATOM 783 C LEU A 376 -11.760 17.572 8.394 1.00 0.00 C ATOM 784 O LEU A 376 -11.643 18.577 7.685 1.00 0.00 O ATOM 785 CB LEU A 376 -12.200 16.163 6.342 1.00 0.00 C ATOM 786 CG LEU A 376 -11.792 14.955 5.501 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.383 15.062 4.109 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.277 14.836 5.425 1.00 0.00 C ATOM 0 H LEU A 376 -11.857 14.458 8.997 1.00 0.00 H new ATOM 0 HA LEU A 376 -10.652 15.860 7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.288 16.222 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -11.838 17.064 5.848 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.181 14.056 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.085 14.195 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.470 15.098 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.019 15.970 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.010 13.969 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.864 15.736 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -9.870 14.718 6.429 1.00 0.00 H new ATOM 800 N GLY A 377 -11.916 17.629 9.707 1.00 0.00 N ATOM 801 CA GLY A 377 -11.994 18.896 10.391 1.00 0.00 C ATOM 802 C GLY A 377 -10.714 19.221 11.132 1.00 0.00 C ATOM 803 O GLY A 377 -9.686 18.588 10.898 1.00 0.00 O ATOM 0 H GLY A 377 -11.990 16.812 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.205 19.685 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.826 18.877 11.095 1.00 0.00 H new ATOM 807 N PRO A 378 -10.748 20.203 12.034 1.00 0.00 N ATOM 808 CA PRO A 378 -9.577 20.595 12.811 1.00 0.00 C ATOM 809 C PRO A 378 -9.245 19.561 13.881 1.00 0.00 C ATOM 810 O PRO A 378 -10.119 19.134 14.631 1.00 0.00 O ATOM 811 CB PRO A 378 -10.000 21.916 13.457 1.00 0.00 C ATOM 812 CG PRO A 378 -11.489 21.846 13.532 1.00 0.00 C ATOM 813 CD PRO A 378 -11.936 21.004 12.368 1.00 0.00 C ATOM 0 HA PRO A 378 -8.681 20.682 12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.559 22.031 14.447 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.674 22.769 12.862 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.810 21.405 14.476 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.927 22.843 13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.783 20.371 12.634 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.252 21.621 11.527 1.00 0.00 H new ATOM 821 N TRP A 379 -7.988 19.168 13.948 1.00 0.00 N ATOM 822 CA TRP A 379 -7.542 18.178 14.917 1.00 0.00 C ATOM 823 C TRP A 379 -7.521 18.757 16.326 1.00 0.00 C ATOM 824 O TRP A 379 -7.739 18.046 17.303 1.00 0.00 O ATOM 825 CB TRP A 379 -6.142 17.663 14.552 1.00 0.00 C ATOM 826 CG TRP A 379 -5.562 16.768 15.600 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.670 17.117 16.580 1.00 0.00 C ATOM 828 CD2 TRP A 379 -5.852 15.385 15.793 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.387 16.025 17.363 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.100 14.949 16.898 1.00 0.00 C ATOM 831 CE3 TRP A 379 -6.676 14.470 15.133 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.149 13.639 17.358 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -6.723 13.172 15.591 1.00 0.00 C ATOM 834 CH2 TRP A 379 -5.964 12.766 16.692 1.00 0.00 C ATOM 0 H TRP A 379 -7.250 19.521 13.339 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.250 17.349 14.893 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.194 17.122 13.607 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.476 18.512 14.397 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.252 18.103 16.716 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.751 16.015 18.160 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.265 14.775 14.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -4.565 13.322 18.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -7.357 12.455 15.091 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.022 11.740 17.024 1.00 0.00 H new ATOM 845 N GLU A 380 -7.277 20.052 16.409 1.00 0.00 N ATOM 846 CA GLU A 380 -7.129 20.753 17.684 1.00 0.00 C ATOM 847 C GLU A 380 -8.220 20.385 18.741 1.00 0.00 C ATOM 848 O GLU A 380 -7.876 19.987 19.854 1.00 0.00 O ATOM 849 CB GLU A 380 -7.076 22.259 17.451 1.00 0.00 C ATOM 850 CG GLU A 380 -6.593 23.040 18.644 1.00 0.00 C ATOM 851 CD GLU A 380 -6.688 24.528 18.426 1.00 0.00 C ATOM 852 OE1 GLU A 380 -7.810 25.068 18.500 1.00 0.00 O ATOM 853 OE2 GLU A 380 -5.646 25.166 18.173 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.174 20.656 15.593 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.186 20.416 18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -6.421 22.464 16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -8.071 22.610 17.176 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -7.181 22.764 19.519 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.559 22.771 18.858 1.00 0.00 H new ATOM 860 N PRO A 381 -9.542 20.502 18.420 1.00 0.00 N ATOM 861 CA PRO A 381 -10.621 20.182 19.387 1.00 0.00 C ATOM 862 C PRO A 381 -10.808 18.670 19.641 1.00 0.00 C ATOM 863 O PRO A 381 -11.717 18.265 20.364 1.00 0.00 O ATOM 864 CB PRO A 381 -11.868 20.756 18.714 1.00 0.00 C ATOM 865 CG PRO A 381 -11.567 20.686 17.260 1.00 0.00 C ATOM 866 CD PRO A 381 -10.098 20.982 17.133 1.00 0.00 C ATOM 0 HA PRO A 381 -10.399 20.594 20.371 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.757 20.177 18.964 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.055 21.782 19.032 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.804 19.701 16.858 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.162 21.409 16.702 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.655 20.462 16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -9.913 22.046 16.987 1.00 0.00 H new ATOM 874 N HIS A 382 -9.956 17.844 19.056 1.00 0.00 N ATOM 875 CA HIS A 382 -10.063 16.400 19.228 1.00 0.00 C ATOM 876 C HIS A 382 -9.313 15.937 20.462 1.00 0.00 C ATOM 877 O HIS A 382 -8.143 15.554 20.388 1.00 0.00 O ATOM 878 CB HIS A 382 -9.568 15.648 17.987 1.00 0.00 C ATOM 879 CG HIS A 382 -10.513 15.710 16.826 1.00 0.00 C ATOM 880 ND1 HIS A 382 -10.747 16.841 16.080 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.301 14.748 16.299 1.00 0.00 C ATOM 882 CE1 HIS A 382 -11.655 16.541 15.145 1.00 0.00 C ATOM 883 NE2 HIS A 382 -12.026 15.279 15.231 1.00 0.00 N ATOM 0 H HIS A 382 -9.185 18.145 18.460 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.120 16.169 19.363 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.606 16.061 17.683 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.398 14.604 18.250 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.305 17.750 16.216 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -11.361 13.728 16.649 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -12.034 17.241 14.415 1.00 0.00 H new ATOM 891 N GLY A 383 -9.976 16.007 21.588 1.00 0.00 N ATOM 892 CA GLY A 383 -9.391 15.571 22.833 1.00 0.00 C ATOM 893 C GLY A 383 -10.415 15.521 23.932 1.00 0.00 C ATOM 894 O GLY A 383 -11.617 15.515 23.659 1.00 0.00 O ATOM 0 H GLY A 383 -10.928 16.364 21.670 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -8.947 14.584 22.702 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -8.585 16.248 23.115 1.00 0.00 H new ATOM 898 N SER A 384 -9.958 15.485 25.171 1.00 0.00 N ATOM 899 CA SER A 384 -10.860 15.465 26.309 1.00 0.00 C ATOM 900 C SER A 384 -11.477 16.843 26.515 1.00 0.00 C ATOM 901 O SER A 384 -10.944 17.674 27.261 1.00 0.00 O ATOM 902 CB SER A 384 -10.128 15.012 27.575 1.00 0.00 C ATOM 903 OG SER A 384 -9.576 13.712 27.409 1.00 0.00 O ATOM 0 H SER A 384 -8.968 15.469 25.415 1.00 0.00 H new ATOM 0 HA SER A 384 -11.657 14.751 26.104 1.00 0.00 H new ATOM 0 HB2 SER A 384 -9.334 15.720 27.813 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.819 15.012 28.418 1.00 0.00 H new ATOM 0 HG SER A 384 -9.112 13.446 28.230 1.00 0.00 H new ATOM 909 N ALA A 385 -12.584 17.087 25.837 1.00 0.00 N ATOM 910 CA ALA A 385 -13.261 18.364 25.902 1.00 0.00 C ATOM 911 C ALA A 385 -14.706 18.222 25.444 1.00 0.00 C ATOM 912 O ALA A 385 -15.233 17.108 25.359 1.00 0.00 O ATOM 913 CB ALA A 385 -12.529 19.382 25.032 1.00 0.00 C ATOM 0 H ALA A 385 -13.036 16.405 25.228 1.00 0.00 H new ATOM 0 HA ALA A 385 -13.259 18.712 26.935 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -13.043 20.342 25.084 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -11.506 19.498 25.390 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -12.514 19.034 23.999 1.00 0.00 H new ATOM 919 N TRP A 386 -15.335 19.352 25.157 1.00 0.00 N ATOM 920 CA TRP A 386 -16.714 19.384 24.681 1.00 0.00 C ATOM 921 C TRP A 386 -16.845 18.664 23.341 1.00 0.00 C ATOM 922 O TRP A 386 -17.876 18.060 23.039 1.00 0.00 O ATOM 923 CB TRP A 386 -17.176 20.846 24.515 1.00 0.00 C ATOM 924 CG TRP A 386 -16.482 21.576 23.383 1.00 0.00 C ATOM 925 CD1 TRP A 386 -15.199 22.052 23.371 1.00 0.00 C ATOM 926 CD2 TRP A 386 -17.036 21.902 22.100 1.00 0.00 C ATOM 927 NE1 TRP A 386 -14.927 22.647 22.166 1.00 0.00 N ATOM 928 CE2 TRP A 386 -16.035 22.570 21.370 1.00 0.00 C ATOM 929 CE3 TRP A 386 -18.280 21.690 21.500 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -16.241 23.030 20.071 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -18.482 22.147 20.211 1.00 0.00 C ATOM 932 CH2 TRP A 386 -17.467 22.810 19.509 1.00 0.00 C ATOM 0 H TRP A 386 -14.906 20.273 25.247 1.00 0.00 H new ATOM 0 HA TRP A 386 -17.339 18.877 25.416 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -18.252 20.861 24.340 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -16.997 21.383 25.446 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -14.502 21.971 24.192 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -14.040 23.078 21.906 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -19.068 21.179 22.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -15.460 23.542 19.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -19.439 21.990 19.737 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -17.657 23.154 18.503 1.00 0.00 H new ATOM 943 N TYR A 387 -15.785 18.715 22.559 1.00 0.00 N ATOM 944 CA TYR A 387 -15.796 18.170 21.223 1.00 0.00 C ATOM 945 C TYR A 387 -15.432 16.691 21.220 1.00 0.00 C ATOM 946 O TYR A 387 -14.682 16.222 22.074 1.00 0.00 O ATOM 947 CB TYR A 387 -14.821 18.955 20.346 1.00 0.00 C ATOM 948 CG TYR A 387 -15.042 18.763 18.862 1.00 0.00 C ATOM 949 CD1 TYR A 387 -14.401 17.743 18.160 1.00 0.00 C ATOM 950 CD2 TYR A 387 -15.895 19.599 18.164 1.00 0.00 C ATOM 951 CE1 TYR A 387 -14.612 17.569 16.809 1.00 0.00 C ATOM 952 CE2 TYR A 387 -16.110 19.429 16.815 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.469 18.416 16.141 1.00 0.00 C ATOM 954 OH TYR A 387 -15.682 18.250 14.796 1.00 0.00 O ATOM 0 H TYR A 387 -14.897 19.134 22.834 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.806 18.261 20.823 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.908 20.016 20.582 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.803 18.656 20.594 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -13.729 17.079 18.683 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -16.400 20.398 18.686 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -14.109 16.774 16.278 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -16.781 20.090 16.287 1.00 0.00 H new ATOM 0 HH TYR A 387 -16.314 18.929 14.479 1.00 0.00 H new ATOM 964 N ASN A 388 -15.978 15.968 20.259 1.00 0.00 N ATOM 965 CA ASN A 388 -15.680 14.552 20.087 1.00 0.00 C ATOM 966 C ASN A 388 -15.802 14.181 18.622 1.00 0.00 C ATOM 967 O ASN A 388 -16.414 14.913 17.842 1.00 0.00 O ATOM 968 CB ASN A 388 -16.606 13.652 20.941 1.00 0.00 C ATOM 969 CG ASN A 388 -18.035 13.504 20.395 1.00 0.00 C ATOM 970 OD1 ASN A 388 -18.596 14.569 19.858 1.00 0.00 O flip ATOM 971 ND2 ASN A 388 -18.631 12.433 20.489 1.00 0.00 N flip ATOM 0 H ASN A 388 -16.638 16.341 19.577 1.00 0.00 H new ATOM 0 HA ASN A 388 -14.659 14.384 20.430 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -16.157 12.662 21.020 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -16.657 14.060 21.950 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -18.168 11.627 20.910 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.588 12.350 20.146 1.00 0.00 H new ATOM 978 N CYS A 389 -15.217 13.063 18.246 1.00 0.00 N ATOM 979 CA CYS A 389 -15.277 12.603 16.877 1.00 0.00 C ATOM 980 C CYS A 389 -15.672 11.146 16.849 1.00 0.00 C ATOM 981 O CYS A 389 -15.071 10.318 17.540 1.00 0.00 O ATOM 982 CB CYS A 389 -13.932 12.795 16.196 1.00 0.00 C ATOM 983 SG CYS A 389 -13.958 12.549 14.391 1.00 0.00 S ATOM 0 H CYS A 389 -14.692 12.454 18.874 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.023 13.187 16.338 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -13.572 13.802 16.408 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.215 12.101 16.634 1.00 0.00 H new ATOM 988 N ASN A 390 -16.663 10.831 16.056 1.00 0.00 N ATOM 989 CA ASN A 390 -17.170 9.478 15.988 1.00 0.00 C ATOM 990 C ASN A 390 -16.692 8.758 14.740 1.00 0.00 C ATOM 991 O ASN A 390 -17.311 8.847 13.674 1.00 0.00 O ATOM 992 CB ASN A 390 -18.696 9.471 16.074 1.00 0.00 C ATOM 993 CG ASN A 390 -19.202 9.784 17.475 1.00 0.00 C ATOM 994 OD1 ASN A 390 -18.569 9.428 18.472 1.00 0.00 O ATOM 995 ND2 ASN A 390 -20.336 10.454 17.562 1.00 0.00 N ATOM 0 H ASN A 390 -17.139 11.494 15.444 1.00 0.00 H new ATOM 0 HA ASN A 390 -16.773 8.934 16.845 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -19.100 10.202 15.374 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -19.070 8.494 15.766 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -20.717 10.695 18.477 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -20.831 10.731 16.714 1.00 0.00 H new ATOM 1002 N ARG A 391 -15.573 8.064 14.870 1.00 0.00 N ATOM 1003 CA ARG A 391 -15.025 7.272 13.784 1.00 0.00 C ATOM 1004 C ARG A 391 -15.587 5.862 13.836 1.00 0.00 C ATOM 1005 O ARG A 391 -16.200 5.387 12.885 1.00 0.00 O ATOM 1006 CB ARG A 391 -13.493 7.220 13.879 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.870 6.183 12.961 1.00 0.00 C ATOM 1008 CD ARG A 391 -11.369 6.077 13.151 1.00 0.00 C ATOM 1009 NE ARG A 391 -10.817 4.934 12.421 1.00 0.00 N ATOM 1010 CZ ARG A 391 -9.542 4.541 12.463 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -8.646 5.246 13.146 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -9.163 3.452 11.804 1.00 0.00 N ATOM 0 H ARG A 391 -15.022 8.034 15.728 1.00 0.00 H new ATOM 0 HA ARG A 391 -15.305 7.738 12.839 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -13.087 8.202 13.635 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -13.207 7.003 14.908 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -13.328 5.212 13.149 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -13.086 6.442 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -10.892 6.995 12.808 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -11.141 5.977 14.212 1.00 0.00 H new ATOM 0 HE ARG A 391 -11.456 4.397 11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -8.932 6.091 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -7.673 4.942 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -9.846 2.917 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -8.189 3.150 11.835 1.00 0.00 H new ATOM 1026 N TYR A 392 -15.361 5.198 14.951 1.00 0.00 N ATOM 1027 CA TYR A 392 -15.837 3.837 15.152 1.00 0.00 C ATOM 1028 C TYR A 392 -16.848 3.795 16.277 1.00 0.00 C ATOM 1029 O TYR A 392 -17.521 2.786 16.497 1.00 0.00 O ATOM 1030 CB TYR A 392 -14.663 2.905 15.456 1.00 0.00 C ATOM 1031 CG TYR A 392 -13.753 3.388 16.570 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -13.991 3.036 17.894 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -12.658 4.196 16.295 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -13.163 3.477 18.908 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -11.826 4.641 17.302 1.00 0.00 C ATOM 1036 CZ TYR A 392 -12.082 4.280 18.608 1.00 0.00 C ATOM 1037 OH TYR A 392 -11.253 4.715 19.619 1.00 0.00 O ATOM 0 H TYR A 392 -14.845 5.581 15.743 1.00 0.00 H new ATOM 0 HA TYR A 392 -16.322 3.498 14.237 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -15.054 1.923 15.722 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -14.072 2.778 14.549 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -14.836 2.408 18.133 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -12.453 4.482 15.274 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -13.361 3.194 19.931 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -10.979 5.269 17.068 1.00 0.00 H new ATOM 0 HH TYR A 392 -10.539 5.270 19.241 1.00 0.00 H new ATOM 1047 N ASN A 393 -16.935 4.889 16.989 1.00 0.00 N ATOM 1048 CA ASN A 393 -17.859 5.013 18.097 1.00 0.00 C ATOM 1049 C ASN A 393 -19.198 5.537 17.617 1.00 0.00 C ATOM 1050 O ASN A 393 -19.271 6.596 17.002 1.00 0.00 O ATOM 1051 CB ASN A 393 -17.282 5.944 19.162 1.00 0.00 C ATOM 1052 CG ASN A 393 -18.234 6.179 20.321 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -18.266 5.409 21.279 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -18.994 7.260 20.259 1.00 0.00 N ATOM 0 H ASN A 393 -16.369 5.721 16.821 1.00 0.00 H new ATOM 0 HA ASN A 393 -18.009 4.026 18.534 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -16.352 5.520 19.542 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -17.032 6.901 18.704 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -19.634 7.478 21.023 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -18.940 7.876 19.448 1.00 0.00 H new ATOM 1061 N GLU A 394 -20.241 4.790 17.883 1.00 0.00 N ATOM 1062 CA GLU A 394 -21.580 5.189 17.507 1.00 0.00 C ATOM 1063 C GLU A 394 -22.459 5.322 18.731 1.00 0.00 C ATOM 1064 O GLU A 394 -22.256 4.639 19.736 1.00 0.00 O ATOM 1065 CB GLU A 394 -22.195 4.177 16.552 1.00 0.00 C ATOM 1066 CG GLU A 394 -21.733 4.301 15.113 1.00 0.00 C ATOM 1067 CD GLU A 394 -22.329 5.510 14.429 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -23.575 5.575 14.315 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -21.569 6.397 14.000 1.00 0.00 O1- ATOM 0 H GLU A 394 -20.189 3.892 18.364 1.00 0.00 H new ATOM 0 HA GLU A 394 -21.512 6.155 17.007 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -21.963 3.174 16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -23.279 4.283 16.581 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -20.645 4.369 15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -22.010 3.401 14.564 1.00 0.00 H new ATOM 1076 N ASP A 395 -23.419 6.206 18.643 1.00 0.00 N ATOM 1077 CA ASP A 395 -24.378 6.405 19.716 1.00 0.00 C ATOM 1078 C ASP A 395 -25.721 5.834 19.299 1.00 0.00 C ATOM 1079 O ASP A 395 -26.534 5.436 20.134 1.00 0.00 O ATOM 1080 CB ASP A 395 -24.512 7.894 20.047 1.00 0.00 C ATOM 1081 CG ASP A 395 -25.439 8.143 21.220 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -25.025 7.900 22.372 1.00 0.00 O ATOM 1083 OD2 ASP A 395 -26.585 8.594 20.997 1.00 0.00 O1- ATOM 0 H ASP A 395 -23.564 6.809 17.833 1.00 0.00 H new ATOM 0 HA ASP A 395 -24.028 5.890 20.610 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -23.527 8.304 20.272 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -24.886 8.426 19.172 1.00 0.00 H new ATOM 1088 N ASP A 396 -25.937 5.796 17.994 1.00 0.00 N ATOM 1089 CA ASP A 396 -27.157 5.252 17.426 1.00 0.00 C ATOM 1090 C ASP A 396 -27.170 3.745 17.562 1.00 0.00 C ATOM 1091 O ASP A 396 -26.405 3.077 16.842 1.00 0.00 O ATOM 1092 CB ASP A 396 -27.288 5.641 15.954 1.00 0.00 C ATOM 1093 CG ASP A 396 -28.543 5.086 15.315 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -29.613 5.689 15.486 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -28.464 4.052 14.616 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -27.944 3.229 18.387 1.00 0.00 O ATOM 0 H ASP A 396 -25.272 6.141 17.301 1.00 0.00 H new ATOM 0 HA ASP A 396 -28.003 5.668 17.973 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -27.291 6.728 15.868 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -26.416 5.280 15.408 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.183 20.240 2.546 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -12.638 14.057 13.574 1.00 0.00 ZN