USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 CYS SG : rot 31:sc= -3.47! USER MOD Set 1.2: A 122 CYS SG : rot 59:sc= -0.235! USER MOD Set 2.1: A 87 CYS SG : rot -127:sc= 0.482 USER MOD Set 2.2: A 90 CYS SG : rot -40:sc= -3.61! USER MOD Set 2.3: A 101 HIS : no HD1:sc= -0.153 X(o=-6.8,f=-6.6) USER MOD Set 2.4: A 108 CYS SG : rot -17:sc= -3.48! USER MOD Set 3.1: A 102 CYS SG : rot -134:sc= 0.506 USER MOD Set 3.2: A 104 ASN : amide:sc= -0.0614 K(o=1.5,f=-0.55!) USER MOD Set 3.3: A 105 CYS SG : rot 151:sc= 0.538 USER MOD Set 3.4: A 118 HIS : no HE2:sc= 0.0306 K(o=1.5,f=0.42) USER MOD Set 3.5: A 123 ASN : amide:sc= 0 X(o=1.5,f=1.2) USER MOD Set 3.6: A 125 CYS SG : rot -141:sc= 0.522 USER MOD Set 4.1: A 70 HIS : no HD1:sc= 0.428 K(o=1.4,f=-3.3) USER MOD Set 4.2: A 72 GLN : amide:sc= 0.987 K(o=1.4,f=-0.77) USER MOD Set 5.1: A 62 CYS SG : rot 163:sc= 0.0859 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.185 K(o=-1.4,f=-2.9) USER MOD Set 5.3: A 65 CYS SG : rot -53:sc= 0.224 USER MOD Set 5.4: A 69 GLN : amide:sc= -2.38 K(o=-1.4,f=-6.9!) USER MOD Set 5.5: A 75 CYS SG : rot 79:sc= -2.09! USER MOD Set 5.6: A 78 CYS SG : rot 51:sc= 1.03! USER MOD Set 5.7: A 80 THR OG1 : rot 114:sc= 1.51! USER MOD Set 6.1: A 46 ASN :FLIP amide:sc= 0.583 F(o=-0.11,f=1) USER MOD Set 6.2: A 47 ASN :FLIP amide:sc= 0.417 F(o=-1.5!,f=1) USER MOD Set 7.1: A 33 CYS SG : rot 69:sc= -0.0244 USER MOD Set 7.2: A 34 CYS SG : rot 9:sc= 0.158 USER MOD Set 7.3: A 44 HIS : no HD1:sc= -2.98 K(o=-2.8,f=-4.9!) USER MOD Set 7.4: A 50 HIS : no HD1:sc= 0.0239 K(o=-2.8,f=-3.9) USER MOD Set 8.1: A 36 LYS NZ :NH3+ 158:sc= 0.245 (180deg=-0.601) USER MOD Set 8.2: A 38 TYR OH : rot 78:sc= 0.0118 USER MOD Set 9.1: A 20 CYS SG : rot -48:sc= 0.965 USER MOD Set 9.2: A 22 HIS : no HD1:sc= 0.263 K(o=-0.83,f=-1.8) USER MOD Set 9.3: A 40 CYS SG : rot 167:sc= -2.08! USER MOD Set 9.4: A 43 CYS SG : rot 168:sc= 0.0175 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -49:sc= -1.68! USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0.644 (180deg=0.241) USER MOD Single : A 39 THR OG1 : rot 100:sc= -0.0533 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0151 (180deg=-0.156) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.232 X(o=0.23,f=-0.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0706 K(o=-0.071,f=-0.9) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0.379 (180deg=0.321) USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 0.908 (180deg=0.445) USER MOD Single : A 99 GLN : amide:sc= -0.0172 K(o=-0.017,f=-4.2!) USER MOD Single : A 100 TYR OH : rot -90:sc= -0.126 USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= 0.259 (180deg=-0.00145) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -178:sc= 0 (180deg=-0.0121) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -10.422 7.673 -6.012 1.00 0.00 N ATOM 232 CA ARG A 18 -9.022 7.587 -6.455 1.00 0.00 C ATOM 233 C ARG A 18 -8.520 6.219 -5.992 1.00 0.00 C ATOM 234 O ARG A 18 -8.775 5.813 -4.842 1.00 0.00 O ATOM 235 CB ARG A 18 -8.098 8.715 -5.869 1.00 0.00 C ATOM 236 CG ARG A 18 -8.041 10.064 -6.641 1.00 0.00 C ATOM 237 CD ARG A 18 -9.350 10.869 -6.626 1.00 0.00 C ATOM 238 NE ARG A 18 -9.886 11.043 -5.263 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.654 12.061 -4.848 1.00 0.00 C ATOM 240 NH1 ARG A 18 -10.899 13.102 -5.631 1.00 0.00 N ATOM 241 NH2 ARG A 18 -11.163 12.032 -3.629 1.00 0.00 N ATOM 0 HA ARG A 18 -8.983 7.718 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.425 8.923 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.084 8.320 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.248 10.678 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.766 9.863 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.177 11.848 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.092 10.363 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.652 10.326 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.501 13.139 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.486 13.866 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.970 11.241 -3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.749 12.801 -3.302 1.00 0.00 H new ATOM 255 N GLY A 19 -7.812 5.519 -6.875 1.00 0.00 N ATOM 256 CA GLY A 19 -7.275 4.209 -6.561 1.00 0.00 C ATOM 257 C GLY A 19 -8.101 3.094 -7.175 1.00 0.00 C ATOM 258 O GLY A 19 -8.188 2.978 -8.402 1.00 0.00 O ATOM 0 H GLY A 19 -7.599 5.845 -7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.249 4.142 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.241 4.081 -5.479 1.00 0.00 H new ATOM 262 N CYS A 20 -8.712 2.285 -6.306 1.00 0.00 N ATOM 263 CA CYS A 20 -9.409 1.049 -6.684 1.00 0.00 C ATOM 264 C CYS A 20 -10.364 0.674 -5.544 1.00 0.00 C ATOM 265 O CYS A 20 -10.196 1.165 -4.423 1.00 0.00 O ATOM 266 CB CYS A 20 -8.348 -0.054 -6.931 1.00 0.00 C ATOM 267 SG CYS A 20 -8.945 -1.648 -7.574 1.00 0.00 S ATOM 0 H CYS A 20 -8.738 2.472 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.991 1.173 -7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.609 0.338 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.829 -0.241 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.974 -2.038 -6.881 1.00 0.00 H new ATOM 272 N GLU A 21 -11.362 -0.190 -5.813 1.00 0.00 N ATOM 273 CA GLU A 21 -12.296 -0.668 -4.756 1.00 0.00 C ATOM 274 C GLU A 21 -11.567 -1.495 -3.664 1.00 0.00 C ATOM 275 O GLU A 21 -12.090 -1.659 -2.558 1.00 0.00 O ATOM 276 CB GLU A 21 -13.509 -1.443 -5.366 1.00 0.00 C ATOM 277 CG GLU A 21 -13.204 -2.375 -6.558 1.00 0.00 C ATOM 278 CD GLU A 21 -12.200 -3.494 -6.273 1.00 0.00 C ATOM 279 OE1 GLU A 21 -12.584 -4.527 -5.690 1.00 0.00 O ATOM 280 OE2 GLU A 21 -11.021 -3.346 -6.636 1.00 0.00 O ATOM 0 H GLU A 21 -11.547 -0.572 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.697 0.216 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.965 -2.039 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.254 -0.714 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.138 -2.825 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.825 -1.771 -7.383 1.00 0.00 H new ATOM 287 N HIS A 22 -10.365 -2.022 -3.999 1.00 0.00 N ATOM 288 CA HIS A 22 -9.496 -2.712 -3.037 1.00 0.00 C ATOM 289 C HIS A 22 -8.855 -1.702 -2.057 1.00 0.00 C ATOM 290 O HIS A 22 -8.926 -1.887 -0.839 1.00 0.00 O ATOM 291 CB HIS A 22 -8.382 -3.525 -3.761 1.00 0.00 C ATOM 292 CG HIS A 22 -8.867 -4.715 -4.554 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.618 -4.834 -5.902 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.551 -5.808 -4.137 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.151 -5.982 -6.271 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.730 -6.608 -5.238 1.00 0.00 N ATOM 0 H HIS A 22 -9.979 -1.977 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.119 -3.408 -2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.844 -2.856 -4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.666 -3.872 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.890 -6.011 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.124 -6.369 -7.279 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.212 -7.507 -5.264 1.00 0.00 H new ATOM 304 N TYR A 23 -8.213 -0.634 -2.603 1.00 0.00 N ATOM 305 CA TYR A 23 -7.486 0.385 -1.792 1.00 0.00 C ATOM 306 C TYR A 23 -7.848 1.809 -2.254 1.00 0.00 C ATOM 307 O TYR A 23 -7.701 2.138 -3.437 1.00 0.00 O ATOM 308 CB TYR A 23 -5.947 0.193 -1.881 1.00 0.00 C ATOM 309 CG TYR A 23 -5.470 -1.206 -1.476 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.360 -1.576 -0.132 1.00 0.00 C ATOM 311 CD2 TYR A 23 -5.156 -2.164 -2.442 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.955 -2.848 0.224 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.759 -3.433 -2.089 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.652 -3.769 -0.755 1.00 0.00 C ATOM 315 OH TYR A 23 -4.260 -5.038 -0.401 1.00 0.00 O ATOM 0 H TYR A 23 -8.184 -0.455 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.795 0.250 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.624 0.394 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.461 0.931 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.595 -0.857 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.226 -1.903 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.876 -3.120 1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.532 -4.163 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.085 -5.564 -1.209 1.00 0.00 H new ATOM 325 N ASP A 24 -8.285 2.646 -1.298 1.00 0.00 N ATOM 326 CA ASP A 24 -8.680 4.044 -1.553 1.00 0.00 C ATOM 327 C ASP A 24 -7.476 4.955 -1.324 1.00 0.00 C ATOM 328 O ASP A 24 -7.187 5.354 -0.184 1.00 0.00 O ATOM 329 CB ASP A 24 -9.853 4.459 -0.622 1.00 0.00 C ATOM 330 CG ASP A 24 -11.165 3.754 -0.968 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.858 4.221 -1.893 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.507 2.738 -0.315 1.00 0.00 O ATOM 0 H ASP A 24 -8.375 2.371 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.017 4.138 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.587 4.235 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.998 5.537 -0.687 1.00 0.00 H new ATOM 337 N ARG A 25 -6.745 5.234 -2.410 1.00 0.00 N ATOM 338 CA ARG A 25 -5.502 6.008 -2.355 1.00 0.00 C ATOM 339 C ARG A 25 -5.311 6.860 -3.609 1.00 0.00 C ATOM 340 O ARG A 25 -5.708 6.466 -4.702 1.00 0.00 O ATOM 341 CB ARG A 25 -4.312 5.049 -2.142 1.00 0.00 C ATOM 342 CG ARG A 25 -4.196 3.887 -3.148 1.00 0.00 C ATOM 343 CD ARG A 25 -3.122 2.844 -2.758 1.00 0.00 C ATOM 344 NE ARG A 25 -1.750 3.383 -2.844 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.639 2.758 -2.410 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.705 1.589 -1.782 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.544 3.328 -2.579 1.00 0.00 N ATOM 0 H ARG A 25 -6.999 4.929 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.558 6.699 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.391 5.630 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.383 4.630 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.162 3.390 -3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.960 4.290 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.309 2.498 -1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.209 1.976 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.634 4.304 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.610 1.147 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.149 1.133 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.611 4.237 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.388 2.858 -2.252 1.00 0.00 H new ATOM 361 N GLY A 26 -4.648 8.012 -3.427 1.00 0.00 N ATOM 362 CA GLY A 26 -4.318 8.926 -4.516 1.00 0.00 C ATOM 363 C GLY A 26 -3.024 8.564 -5.238 1.00 0.00 C ATOM 364 O GLY A 26 -2.416 9.427 -5.889 1.00 0.00 O ATOM 0 H GLY A 26 -4.327 8.332 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.137 8.934 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.233 9.937 -4.119 1.00 0.00 H new ATOM 368 N CYS A 27 -2.611 7.275 -5.162 1.00 0.00 N ATOM 369 CA CYS A 27 -1.401 6.780 -5.837 1.00 0.00 C ATOM 370 C CYS A 27 -1.564 5.325 -6.309 1.00 0.00 C ATOM 371 O CYS A 27 -2.162 4.500 -5.615 1.00 0.00 O ATOM 372 CB CYS A 27 -0.178 6.905 -4.911 1.00 0.00 C ATOM 373 SG CYS A 27 -0.366 6.080 -3.317 1.00 0.00 S ATOM 0 H CYS A 27 -3.108 6.559 -4.633 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.244 7.399 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.692 6.492 -5.420 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.026 7.962 -4.738 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.501 6.421 -2.783 1.00 0.00 H new ATOM 379 N LEU A 28 -1.033 5.036 -7.513 1.00 0.00 N ATOM 380 CA LEU A 28 -0.959 3.669 -8.064 1.00 0.00 C ATOM 381 C LEU A 28 0.454 3.107 -7.809 1.00 0.00 C ATOM 382 O LEU A 28 1.433 3.814 -8.041 1.00 0.00 O ATOM 383 CB LEU A 28 -1.226 3.675 -9.599 1.00 0.00 C ATOM 384 CG LEU A 28 -2.547 4.354 -10.098 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.610 4.413 -11.635 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.799 3.662 -9.552 1.00 0.00 C ATOM 0 H LEU A 28 -0.642 5.746 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.716 3.053 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.387 4.173 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.227 2.641 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.528 5.372 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.540 4.890 -11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.765 4.989 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.570 3.402 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.688 4.170 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.811 2.622 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.791 3.701 -8.463 1.00 0.00 H new ATOM 398 N LEU A 29 0.547 1.846 -7.346 1.00 0.00 N ATOM 399 CA LEU A 29 1.843 1.141 -7.182 1.00 0.00 C ATOM 400 C LEU A 29 2.478 0.915 -8.565 1.00 0.00 C ATOM 401 O LEU A 29 1.936 0.147 -9.381 1.00 0.00 O ATOM 402 CB LEU A 29 1.661 -0.237 -6.469 1.00 0.00 C ATOM 403 CG LEU A 29 1.081 -0.201 -5.020 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.958 -1.626 -4.427 1.00 0.00 C ATOM 405 CD2 LEU A 29 1.915 0.712 -4.095 1.00 0.00 C ATOM 0 H LEU A 29 -0.263 1.287 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 29 2.490 1.762 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.006 -0.855 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.630 -0.735 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 29 0.079 0.223 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.551 -1.566 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.294 -2.224 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.942 -2.093 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.481 0.711 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.939 0.342 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.915 1.728 -4.490 1.00 0.00 H new ATOM 417 N LYS A 30 3.589 1.615 -8.844 1.00 0.00 N ATOM 418 CA LYS A 30 4.327 1.415 -10.089 1.00 0.00 C ATOM 419 C LYS A 30 5.090 0.085 -10.018 1.00 0.00 C ATOM 420 O LYS A 30 6.021 -0.049 -9.225 1.00 0.00 O ATOM 421 CB LYS A 30 5.306 2.570 -10.396 1.00 0.00 C ATOM 422 CG LYS A 30 5.967 2.414 -11.779 1.00 0.00 C ATOM 423 CD LYS A 30 6.962 3.528 -12.119 1.00 0.00 C ATOM 424 CE LYS A 30 7.565 3.314 -13.507 1.00 0.00 C ATOM 425 NZ LYS A 30 8.699 4.232 -13.790 1.00 0.00 N ATOM 0 H LYS A 30 3.990 2.319 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 30 3.601 1.394 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.771 3.519 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.078 2.605 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.483 1.455 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.189 2.389 -12.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.459 4.494 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.756 3.552 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.908 2.283 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.791 3.457 -14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.350 3.782 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.336 5.117 -14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.206 4.440 -12.906 1.00 0.00 H new ATOM 439 N ALA A 31 4.655 -0.894 -10.827 1.00 0.00 N ATOM 440 CA ALA A 31 5.343 -2.174 -10.999 1.00 0.00 C ATOM 441 C ALA A 31 6.713 -1.933 -11.671 1.00 0.00 C ATOM 442 O ALA A 31 6.739 -1.587 -12.851 1.00 0.00 O ATOM 443 CB ALA A 31 4.479 -3.124 -11.855 1.00 0.00 C ATOM 0 H ALA A 31 3.805 -0.813 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 31 5.503 -2.637 -10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.997 -4.075 -11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.524 -3.294 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.305 -2.675 -12.833 1.00 0.00 H new ATOM 449 N PRO A 32 7.867 -2.101 -10.941 1.00 0.00 N ATOM 450 CA PRO A 32 9.221 -1.828 -11.501 1.00 0.00 C ATOM 451 C PRO A 32 9.606 -2.860 -12.585 1.00 0.00 C ATOM 452 O PRO A 32 10.431 -2.594 -13.466 1.00 0.00 O ATOM 453 CB PRO A 32 10.143 -1.909 -10.254 1.00 0.00 C ATOM 454 CG PRO A 32 9.427 -2.830 -9.313 1.00 0.00 C ATOM 455 CD PRO A 32 7.947 -2.588 -9.532 1.00 0.00 C ATOM 0 HA PRO A 32 9.291 -0.866 -12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.128 -2.296 -10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.294 -0.926 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.686 -3.870 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.707 -2.625 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.368 -3.501 -9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.555 -1.851 -8.832 1.00 0.00 H new ATOM 463 N CYS A 33 8.952 -4.023 -12.500 1.00 0.00 N ATOM 464 CA CYS A 33 9.129 -5.153 -13.412 1.00 0.00 C ATOM 465 C CYS A 33 8.446 -4.914 -14.779 1.00 0.00 C ATOM 466 O CYS A 33 8.746 -5.609 -15.749 1.00 0.00 O ATOM 467 CB CYS A 33 8.517 -6.390 -12.746 1.00 0.00 C ATOM 468 SG CYS A 33 6.752 -6.181 -12.331 1.00 0.00 S ATOM 0 H CYS A 33 8.263 -4.208 -11.771 1.00 0.00 H new ATOM 0 HA CYS A 33 10.194 -5.286 -13.605 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.629 -7.246 -13.411 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.073 -6.618 -11.837 1.00 0.00 H new ATOM 0 HG CYS A 33 6.051 -6.138 -13.425 1.00 0.00 H new ATOM 473 N CYS A 34 7.510 -3.946 -14.841 1.00 0.00 N ATOM 474 CA CYS A 34 6.692 -3.695 -16.060 1.00 0.00 C ATOM 475 C CYS A 34 6.565 -2.190 -16.420 1.00 0.00 C ATOM 476 O CYS A 34 6.029 -1.871 -17.485 1.00 0.00 O ATOM 477 CB CYS A 34 5.279 -4.312 -15.876 1.00 0.00 C ATOM 478 SG CYS A 34 5.212 -6.129 -15.870 1.00 0.00 S ATOM 0 H CYS A 34 7.296 -3.321 -14.064 1.00 0.00 H new ATOM 0 HA CYS A 34 7.213 -4.170 -16.891 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.862 -3.947 -14.937 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.635 -3.945 -16.675 1.00 0.00 H new ATOM 0 HG CYS A 34 6.420 -6.608 -15.828 1.00 0.00 H new ATOM 483 N ASP A 35 7.048 -1.281 -15.535 1.00 0.00 N ATOM 484 CA ASP A 35 6.793 0.196 -15.620 1.00 0.00 C ATOM 485 C ASP A 35 5.281 0.540 -15.589 1.00 0.00 C ATOM 486 O ASP A 35 4.881 1.659 -15.931 1.00 0.00 O ATOM 487 CB ASP A 35 7.484 0.847 -16.863 1.00 0.00 C ATOM 488 CG ASP A 35 9.000 1.029 -16.691 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.424 2.051 -16.095 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.775 0.154 -17.126 1.00 0.00 O ATOM 0 H ASP A 35 7.627 -1.544 -14.738 1.00 0.00 H new ATOM 0 HA ASP A 35 7.245 0.626 -14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.297 0.227 -17.740 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.028 1.818 -17.056 1.00 0.00 H new ATOM 495 N LYS A 36 4.470 -0.416 -15.114 1.00 0.00 N ATOM 496 CA LYS A 36 2.998 -0.329 -15.104 1.00 0.00 C ATOM 497 C LYS A 36 2.497 0.328 -13.814 1.00 0.00 C ATOM 498 O LYS A 36 3.225 0.407 -12.840 1.00 0.00 O ATOM 499 CB LYS A 36 2.404 -1.745 -15.257 1.00 0.00 C ATOM 500 CG LYS A 36 2.391 -2.312 -16.690 1.00 0.00 C ATOM 501 CD LYS A 36 1.374 -1.602 -17.603 1.00 0.00 C ATOM 502 CE LYS A 36 1.154 -2.355 -18.918 1.00 0.00 C ATOM 503 NZ LYS A 36 0.654 -3.741 -18.689 1.00 0.00 N ATOM 0 H LYS A 36 4.822 -1.288 -14.718 1.00 0.00 H new ATOM 0 HA LYS A 36 2.673 0.292 -15.939 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.969 -2.427 -14.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.381 -1.733 -14.881 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.387 -2.219 -17.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.158 -3.376 -16.653 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.423 -1.504 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.724 -0.593 -17.818 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.440 -1.809 -19.534 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.090 -2.394 -19.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.174 -4.083 -19.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.455 -4.367 -18.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.016 -3.741 -17.893 1.00 0.00 H new ATOM 517 N LEU A 37 1.238 0.794 -13.835 1.00 0.00 N ATOM 518 CA LEU A 37 0.631 1.562 -12.729 1.00 0.00 C ATOM 519 C LEU A 37 -0.674 0.879 -12.264 1.00 0.00 C ATOM 520 O LEU A 37 -1.682 0.930 -12.973 1.00 0.00 O ATOM 521 CB LEU A 37 0.332 3.028 -13.180 1.00 0.00 C ATOM 522 CG LEU A 37 1.546 3.937 -13.578 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.667 3.863 -12.532 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.065 3.655 -15.007 1.00 0.00 C ATOM 0 H LEU A 37 0.607 0.649 -14.623 1.00 0.00 H new ATOM 0 HA LEU A 37 1.336 1.589 -11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.346 2.984 -14.033 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.205 3.523 -12.371 1.00 0.00 H new ATOM 0 HG LEU A 37 1.177 4.962 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.493 4.505 -12.838 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.287 4.197 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.018 2.835 -12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.905 4.314 -15.226 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.390 2.617 -15.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.266 3.835 -15.726 1.00 0.00 H new ATOM 536 N TYR A 38 -0.642 0.242 -11.074 1.00 0.00 N ATOM 537 CA TYR A 38 -1.820 -0.438 -10.470 1.00 0.00 C ATOM 538 C TYR A 38 -1.891 -0.117 -8.981 1.00 0.00 C ATOM 539 O TYR A 38 -0.896 -0.268 -8.296 1.00 0.00 O ATOM 540 CB TYR A 38 -1.723 -1.980 -10.615 1.00 0.00 C ATOM 541 CG TYR A 38 -1.616 -2.487 -12.054 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.751 -2.640 -12.850 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.380 -2.815 -12.610 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.652 -3.105 -14.144 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.286 -3.284 -13.902 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.417 -3.425 -14.664 1.00 0.00 C ATOM 547 OH TYR A 38 -1.314 -3.890 -15.955 1.00 0.00 O ATOM 0 H TYR A 38 0.199 0.182 -10.500 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.706 -0.080 -10.994 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.854 -2.329 -10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.601 -2.430 -10.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.721 -2.391 -12.447 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.517 -2.700 -12.019 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.540 -3.218 -14.748 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.679 -3.541 -14.315 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.387 -3.139 -16.580 1.00 0.00 H new ATOM 557 N THR A 39 -3.077 0.275 -8.483 1.00 0.00 N ATOM 558 CA THR A 39 -3.322 0.516 -7.038 1.00 0.00 C ATOM 559 C THR A 39 -2.905 -0.694 -6.168 1.00 0.00 C ATOM 560 O THR A 39 -2.405 -0.543 -5.046 1.00 0.00 O ATOM 561 CB THR A 39 -4.837 0.790 -6.798 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.291 1.811 -7.667 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.160 1.191 -5.359 1.00 0.00 C ATOM 0 H THR A 39 -3.898 0.436 -9.067 1.00 0.00 H new ATOM 0 HA THR A 39 -2.719 1.377 -6.750 1.00 0.00 H new ATOM 0 HB THR A 39 -5.350 -0.151 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.754 1.408 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.231 1.367 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.861 0.390 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.618 2.102 -5.105 1.00 0.00 H new ATOM 571 N CYS A 40 -3.134 -1.895 -6.714 1.00 0.00 N ATOM 572 CA CYS A 40 -2.935 -3.157 -5.996 1.00 0.00 C ATOM 573 C CYS A 40 -1.921 -4.028 -6.746 1.00 0.00 C ATOM 574 O CYS A 40 -1.967 -4.112 -7.983 1.00 0.00 O ATOM 575 CB CYS A 40 -4.288 -3.892 -5.895 1.00 0.00 C ATOM 576 SG CYS A 40 -5.723 -2.796 -5.819 1.00 0.00 S ATOM 0 H CYS A 40 -3.464 -2.017 -7.671 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.551 -2.956 -4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.395 -4.553 -6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.280 -4.524 -5.007 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.807 -3.486 -6.019 1.00 0.00 H new ATOM 581 N ARG A 41 -1.040 -4.697 -5.986 1.00 0.00 N ATOM 582 CA ARG A 41 -0.060 -5.653 -6.531 1.00 0.00 C ATOM 583 C ARG A 41 -0.767 -6.846 -7.228 1.00 0.00 C ATOM 584 O ARG A 41 -0.278 -7.386 -8.219 1.00 0.00 O ATOM 585 CB ARG A 41 0.905 -6.109 -5.388 1.00 0.00 C ATOM 586 CG ARG A 41 0.236 -6.754 -4.134 1.00 0.00 C ATOM 587 CD ARG A 41 -0.033 -8.268 -4.267 1.00 0.00 C ATOM 588 NE ARG A 41 -0.899 -8.775 -3.191 1.00 0.00 N ATOM 589 CZ ARG A 41 -1.527 -9.960 -3.196 1.00 0.00 C ATOM 590 NH1 ARG A 41 -1.352 -10.826 -4.186 1.00 0.00 N ATOM 591 NH2 ARG A 41 -2.319 -10.281 -2.190 1.00 0.00 N ATOM 0 H ARG A 41 -0.986 -4.591 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 41 0.536 -5.166 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.614 -6.825 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.481 -5.243 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.876 -6.585 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.708 -6.245 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.499 -8.469 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.915 -8.806 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.032 -8.177 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.731 -10.595 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.839 -11.722 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.450 -9.630 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.800 -11.180 -2.187 1.00 0.00 H new ATOM 605 N LEU A 42 -1.943 -7.226 -6.692 1.00 0.00 N ATOM 606 CA LEU A 42 -2.760 -8.331 -7.230 1.00 0.00 C ATOM 607 C LEU A 42 -3.529 -7.906 -8.500 1.00 0.00 C ATOM 608 O LEU A 42 -3.809 -8.746 -9.356 1.00 0.00 O ATOM 609 CB LEU A 42 -3.733 -8.923 -6.159 1.00 0.00 C ATOM 610 CG LEU A 42 -4.817 -7.973 -5.525 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.049 -8.779 -5.047 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.248 -7.147 -4.345 1.00 0.00 C ATOM 0 H LEU A 42 -2.353 -6.776 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.065 -9.123 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.255 -9.765 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.128 -9.325 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.122 -7.280 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.782 -8.099 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.494 -9.300 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.739 -9.506 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.031 -6.506 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.891 -7.822 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.421 -6.531 -4.698 1.00 0.00 H new ATOM 624 N CYS A 43 -3.853 -6.596 -8.623 1.00 0.00 N ATOM 625 CA CYS A 43 -4.499 -6.041 -9.846 1.00 0.00 C ATOM 626 C CYS A 43 -3.515 -6.042 -11.037 1.00 0.00 C ATOM 627 O CYS A 43 -3.936 -6.088 -12.196 1.00 0.00 O ATOM 628 CB CYS A 43 -5.113 -4.630 -9.584 1.00 0.00 C ATOM 629 SG CYS A 43 -6.870 -4.669 -9.049 1.00 0.00 S ATOM 0 H CYS A 43 -3.680 -5.903 -7.895 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.331 -6.693 -10.113 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.522 -4.124 -8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.034 -4.036 -10.494 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.218 -3.494 -8.615 1.00 0.00 H new ATOM 634 N HIS A 44 -2.199 -6.006 -10.729 1.00 0.00 N ATOM 635 CA HIS A 44 -1.132 -6.243 -11.727 1.00 0.00 C ATOM 636 C HIS A 44 -1.223 -7.674 -12.266 1.00 0.00 C ATOM 637 O HIS A 44 -1.269 -7.873 -13.467 1.00 0.00 O ATOM 638 CB HIS A 44 0.276 -5.963 -11.105 1.00 0.00 C ATOM 639 CG HIS A 44 1.455 -6.631 -11.800 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.682 -7.985 -11.721 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.495 -6.134 -12.547 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.781 -8.265 -12.394 1.00 0.00 C ATOM 643 NE2 HIS A 44 3.328 -7.203 -12.915 1.00 0.00 N ATOM 0 H HIS A 44 -1.849 -5.814 -9.790 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.270 -5.554 -12.560 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.443 -4.886 -11.103 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.263 -6.286 -10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.646 -5.097 -12.807 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.182 -9.262 -12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 44 4.181 -7.158 -13.472 1.00 0.00 H new ATOM 651 N ASP A 45 -1.243 -8.658 -11.346 1.00 0.00 N ATOM 652 CA ASP A 45 -1.254 -10.097 -11.692 1.00 0.00 C ATOM 653 C ASP A 45 -2.553 -10.495 -12.421 1.00 0.00 C ATOM 654 O ASP A 45 -2.561 -11.430 -13.219 1.00 0.00 O ATOM 655 CB ASP A 45 -1.056 -10.942 -10.408 1.00 0.00 C ATOM 656 CG ASP A 45 -1.100 -12.468 -10.654 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.206 -12.988 -11.341 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.036 -13.142 -10.173 1.00 0.00 O ATOM 0 H ASP A 45 -1.252 -8.480 -10.342 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.430 -10.294 -12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.098 -10.683 -9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.829 -10.677 -9.687 1.00 0.00 H new ATOM 663 N ASN A 46 -3.638 -9.765 -12.128 1.00 0.00 N ATOM 664 CA ASN A 46 -4.943 -9.941 -12.793 1.00 0.00 C ATOM 665 C ASN A 46 -4.868 -9.513 -14.276 1.00 0.00 C ATOM 666 O ASN A 46 -5.502 -10.125 -15.140 1.00 0.00 O ATOM 667 CB ASN A 46 -6.029 -9.129 -12.033 1.00 0.00 C ATOM 668 CG ASN A 46 -7.405 -9.113 -12.723 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.213 -10.131 -12.488 1.00 0.00 O flip ATOM 670 ND2 ASN A 46 -7.727 -8.196 -13.482 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.638 -9.031 -11.420 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.213 -10.997 -12.770 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.142 -9.544 -11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.683 -8.102 -11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.085 -7.421 -13.647 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.636 -8.213 -13.945 1.00 0.00 H new ATOM 677 N ASN A 47 -4.079 -8.461 -14.557 1.00 0.00 N ATOM 678 CA ASN A 47 -3.967 -7.870 -15.910 1.00 0.00 C ATOM 679 C ASN A 47 -2.785 -8.468 -16.702 1.00 0.00 C ATOM 680 O ASN A 47 -2.819 -8.491 -17.939 1.00 0.00 O ATOM 681 CB ASN A 47 -3.808 -6.323 -15.823 1.00 0.00 C ATOM 682 CG ASN A 47 -5.065 -5.560 -15.353 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.814 -6.104 -14.400 1.00 0.00 O flip ATOM 684 ND2 ASN A 47 -5.338 -4.457 -15.828 1.00 0.00 N flip ATOM 0 H ASN A 47 -3.501 -7.995 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.888 -8.110 -16.441 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.988 -6.096 -15.142 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.520 -5.947 -16.805 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.750 -4.057 -16.559 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.152 -3.944 -15.490 1.00 0.00 H new ATOM 691 N GLU A 48 -1.738 -8.937 -15.987 1.00 0.00 N ATOM 692 CA GLU A 48 -0.470 -9.395 -16.594 1.00 0.00 C ATOM 693 C GLU A 48 -0.199 -10.880 -16.268 1.00 0.00 C ATOM 694 O GLU A 48 -0.993 -11.534 -15.582 1.00 0.00 O ATOM 695 CB GLU A 48 0.703 -8.469 -16.149 1.00 0.00 C ATOM 696 CG GLU A 48 0.437 -6.966 -16.422 1.00 0.00 C ATOM 697 CD GLU A 48 1.703 -6.099 -16.504 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.323 -6.037 -17.590 1.00 0.00 O ATOM 699 OE2 GLU A 48 2.076 -5.463 -15.502 1.00 0.00 O ATOM 0 H GLU A 48 -1.750 -9.008 -14.970 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.554 -9.326 -17.679 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.884 -8.611 -15.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.612 -8.770 -16.670 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.114 -6.872 -17.358 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.206 -6.575 -15.633 1.00 0.00 H new ATOM 706 N ASP A 49 0.929 -11.399 -16.787 1.00 0.00 N ATOM 707 CA ASP A 49 1.239 -12.849 -16.785 1.00 0.00 C ATOM 708 C ASP A 49 1.806 -13.340 -15.444 1.00 0.00 C ATOM 709 O ASP A 49 1.579 -14.492 -15.060 1.00 0.00 O ATOM 710 CB ASP A 49 2.251 -13.181 -17.911 1.00 0.00 C ATOM 711 CG ASP A 49 1.772 -12.731 -19.297 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.040 -13.489 -19.963 1.00 0.00 O ATOM 713 OD2 ASP A 49 2.125 -11.609 -19.723 1.00 0.00 O ATOM 0 H ASP A 49 1.655 -10.828 -17.221 1.00 0.00 H new ATOM 0 HA ASP A 49 0.294 -13.365 -16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.204 -12.702 -17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.431 -14.256 -17.926 1.00 0.00 H new ATOM 718 N HIS A 50 2.558 -12.478 -14.744 1.00 0.00 N ATOM 719 CA HIS A 50 3.268 -12.866 -13.500 1.00 0.00 C ATOM 720 C HIS A 50 2.735 -12.072 -12.293 1.00 0.00 C ATOM 721 O HIS A 50 1.952 -11.134 -12.456 1.00 0.00 O ATOM 722 CB HIS A 50 4.814 -12.713 -13.669 1.00 0.00 C ATOM 723 CG HIS A 50 5.292 -11.336 -14.068 1.00 0.00 C ATOM 724 ND1 HIS A 50 5.629 -10.977 -15.350 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.450 -10.217 -13.324 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.963 -9.679 -15.339 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.863 -9.155 -14.128 1.00 0.00 N ATOM 0 H HIS A 50 2.695 -11.504 -15.013 1.00 0.00 H new ATOM 0 HA HIS A 50 3.070 -13.920 -13.304 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.293 -12.987 -12.729 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.152 -13.428 -14.419 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.280 -10.155 -12.259 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.276 -9.127 -16.213 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.047 -8.192 -13.846 1.00 0.00 H new ATOM 735 N GLN A 51 3.157 -12.480 -11.083 1.00 0.00 N ATOM 736 CA GLN A 51 2.712 -11.877 -9.804 1.00 0.00 C ATOM 737 C GLN A 51 3.585 -10.664 -9.418 1.00 0.00 C ATOM 738 O GLN A 51 4.786 -10.637 -9.706 1.00 0.00 O ATOM 739 CB GLN A 51 2.730 -12.941 -8.664 1.00 0.00 C ATOM 740 CG GLN A 51 4.106 -13.587 -8.405 1.00 0.00 C ATOM 741 CD GLN A 51 4.141 -14.544 -7.203 1.00 0.00 C ATOM 742 OE1 GLN A 51 3.147 -15.169 -6.849 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.298 -14.668 -6.570 1.00 0.00 N ATOM 0 H GLN A 51 3.822 -13.243 -10.959 1.00 0.00 H new ATOM 0 HA GLN A 51 1.690 -11.524 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.385 -12.472 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.015 -13.727 -8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.412 -14.133 -9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.841 -12.797 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.110 -14.137 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.376 -15.294 -5.769 1.00 0.00 H new ATOM 752 N LEU A 52 2.949 -9.660 -8.794 1.00 0.00 N ATOM 753 CA LEU A 52 3.628 -8.487 -8.192 1.00 0.00 C ATOM 754 C LEU A 52 3.495 -8.639 -6.662 1.00 0.00 C ATOM 755 O LEU A 52 2.422 -9.011 -6.177 1.00 0.00 O ATOM 756 CB LEU A 52 2.945 -7.151 -8.654 1.00 0.00 C ATOM 757 CG LEU A 52 3.823 -5.849 -8.825 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.927 -4.591 -8.943 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.878 -5.651 -7.723 1.00 0.00 C ATOM 0 H LEU A 52 1.935 -9.634 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 52 4.672 -8.446 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.459 -7.346 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.157 -6.922 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 52 4.378 -5.993 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.554 -3.707 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.274 -4.690 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.322 -4.490 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.437 -4.735 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.383 -5.578 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.562 -6.499 -7.718 1.00 0.00 H new ATOM 771 N ASP A 53 4.571 -8.370 -5.913 1.00 0.00 N ATOM 772 CA ASP A 53 4.512 -8.265 -4.442 1.00 0.00 C ATOM 773 C ASP A 53 4.565 -6.772 -4.070 1.00 0.00 C ATOM 774 O ASP A 53 5.348 -6.017 -4.653 1.00 0.00 O ATOM 775 CB ASP A 53 5.683 -9.051 -3.794 1.00 0.00 C ATOM 776 CG ASP A 53 5.546 -9.222 -2.271 1.00 0.00 C ATOM 777 OD1 ASP A 53 5.631 -8.219 -1.534 1.00 0.00 O ATOM 778 OD2 ASP A 53 5.317 -10.361 -1.809 1.00 0.00 O ATOM 0 H ASP A 53 5.502 -8.219 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 53 3.587 -8.703 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.748 -10.036 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.619 -8.535 -4.010 1.00 0.00 H new ATOM 783 N ARG A 54 3.752 -6.362 -3.080 1.00 0.00 N ATOM 784 CA ARG A 54 3.563 -4.935 -2.727 1.00 0.00 C ATOM 785 C ARG A 54 4.862 -4.252 -2.231 1.00 0.00 C ATOM 786 O ARG A 54 4.972 -3.031 -2.292 1.00 0.00 O ATOM 787 CB ARG A 54 2.432 -4.752 -1.666 1.00 0.00 C ATOM 788 CG ARG A 54 2.749 -5.266 -0.227 1.00 0.00 C ATOM 789 CD ARG A 54 2.105 -6.621 0.135 1.00 0.00 C ATOM 790 NE ARG A 54 2.605 -7.757 -0.667 1.00 0.00 N ATOM 791 CZ ARG A 54 1.872 -8.836 -1.009 1.00 0.00 C ATOM 792 NH1 ARG A 54 0.605 -8.946 -0.633 1.00 0.00 N ATOM 793 NH2 ARG A 54 2.414 -9.815 -1.708 1.00 0.00 N ATOM 0 H ARG A 54 3.208 -7.003 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 54 3.269 -4.442 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.187 -3.692 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.539 -5.265 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.830 -5.353 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.415 -4.518 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.285 -6.827 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.025 -6.545 0.005 1.00 0.00 H new ATOM 0 HE ARG A 54 3.574 -7.723 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.172 -8.208 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.063 -9.768 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.392 -9.758 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.855 -10.629 -1.964 1.00 0.00 H new ATOM 807 N PHE A 55 5.837 -5.047 -1.741 1.00 0.00 N ATOM 808 CA PHE A 55 7.112 -4.515 -1.198 1.00 0.00 C ATOM 809 C PHE A 55 8.118 -4.214 -2.332 1.00 0.00 C ATOM 810 O PHE A 55 9.016 -3.382 -2.163 1.00 0.00 O ATOM 811 CB PHE A 55 7.743 -5.522 -0.192 1.00 0.00 C ATOM 812 CG PHE A 55 6.797 -6.027 0.902 1.00 0.00 C ATOM 813 CD1 PHE A 55 5.919 -5.163 1.549 1.00 0.00 C ATOM 814 CD2 PHE A 55 6.790 -7.372 1.280 1.00 0.00 C ATOM 815 CE1 PHE A 55 5.057 -5.630 2.526 1.00 0.00 C ATOM 816 CE2 PHE A 55 5.931 -7.832 2.259 1.00 0.00 C ATOM 817 CZ PHE A 55 5.065 -6.961 2.879 1.00 0.00 C ATOM 0 H PHE A 55 5.768 -6.064 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 55 6.886 -3.585 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.120 -6.380 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.602 -5.047 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.910 -4.116 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.467 -8.063 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.376 -4.948 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.939 -8.875 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.391 -7.321 3.643 1.00 0.00 H new ATOM 827 N LYS A 56 7.937 -4.898 -3.479 1.00 0.00 N ATOM 828 CA LYS A 56 8.875 -4.855 -4.624 1.00 0.00 C ATOM 829 C LYS A 56 8.854 -3.505 -5.346 1.00 0.00 C ATOM 830 O LYS A 56 9.849 -3.129 -5.969 1.00 0.00 O ATOM 831 CB LYS A 56 8.537 -5.981 -5.629 1.00 0.00 C ATOM 832 CG LYS A 56 8.623 -7.403 -5.037 1.00 0.00 C ATOM 833 CD LYS A 56 10.053 -7.839 -4.656 1.00 0.00 C ATOM 834 CE LYS A 56 10.986 -7.928 -5.873 1.00 0.00 C ATOM 835 NZ LYS A 56 10.478 -8.868 -6.908 1.00 0.00 N ATOM 0 H LYS A 56 7.130 -5.501 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 56 9.877 -4.999 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.530 -5.820 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.217 -5.911 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.990 -7.455 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.219 -8.111 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.466 -7.131 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.014 -8.809 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.102 -6.937 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.975 -8.250 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.214 -9.025 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.231 -9.775 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.634 -8.463 -7.360 1.00 0.00 H new ATOM 849 N VAL A 57 7.709 -2.800 -5.284 1.00 0.00 N ATOM 850 CA VAL A 57 7.561 -1.474 -5.912 1.00 0.00 C ATOM 851 C VAL A 57 8.434 -0.427 -5.183 1.00 0.00 C ATOM 852 O VAL A 57 8.837 -0.630 -4.037 1.00 0.00 O ATOM 853 CB VAL A 57 6.053 -1.015 -5.972 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.193 -2.047 -6.739 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.474 -0.759 -4.568 1.00 0.00 C ATOM 0 H VAL A 57 6.871 -3.128 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 57 7.909 -1.557 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 57 6.024 -0.070 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.157 -1.708 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.569 -2.149 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.246 -3.012 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.434 -0.445 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.528 -1.675 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.049 0.024 -4.074 1.00 0.00 H new ATOM 865 N LYS A 58 8.729 0.671 -5.876 1.00 0.00 N ATOM 866 CA LYS A 58 9.605 1.755 -5.382 1.00 0.00 C ATOM 867 C LYS A 58 8.936 3.109 -5.645 1.00 0.00 C ATOM 868 O LYS A 58 9.001 4.030 -4.825 1.00 0.00 O ATOM 869 CB LYS A 58 10.981 1.694 -6.106 1.00 0.00 C ATOM 870 CG LYS A 58 11.974 2.829 -5.736 1.00 0.00 C ATOM 871 CD LYS A 58 12.432 2.794 -4.257 1.00 0.00 C ATOM 872 CE LYS A 58 13.269 1.545 -3.931 1.00 0.00 C ATOM 873 NZ LYS A 58 13.722 1.517 -2.516 1.00 0.00 N ATOM 0 H LYS A 58 8.365 0.844 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 58 9.764 1.633 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.449 0.736 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.809 1.720 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.850 2.758 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.505 3.792 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.018 3.687 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.557 2.821 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.679 0.652 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.138 1.512 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.281 0.657 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.308 2.354 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.894 1.521 -1.886 1.00 0.00 H new ATOM 887 N GLU A 59 8.323 3.211 -6.827 1.00 0.00 N ATOM 888 CA GLU A 59 7.638 4.414 -7.294 1.00 0.00 C ATOM 889 C GLU A 59 6.127 4.231 -7.227 1.00 0.00 C ATOM 890 O GLU A 59 5.618 3.104 -7.166 1.00 0.00 O ATOM 891 CB GLU A 59 8.098 4.751 -8.737 1.00 0.00 C ATOM 892 CG GLU A 59 9.556 5.226 -8.806 1.00 0.00 C ATOM 893 CD GLU A 59 10.037 5.592 -10.225 1.00 0.00 C ATOM 894 OE1 GLU A 59 9.975 4.728 -11.127 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.499 6.734 -10.441 1.00 0.00 O ATOM 0 H GLU A 59 8.290 2.443 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 59 7.898 5.249 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.979 3.869 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.450 5.525 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.674 6.096 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.200 4.443 -8.407 1.00 0.00 H new ATOM 902 N VAL A 60 5.434 5.370 -7.249 1.00 0.00 N ATOM 903 CA VAL A 60 3.966 5.466 -7.192 1.00 0.00 C ATOM 904 C VAL A 60 3.542 6.706 -7.997 1.00 0.00 C ATOM 905 O VAL A 60 4.158 7.758 -7.861 1.00 0.00 O ATOM 906 CB VAL A 60 3.397 5.563 -5.707 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.511 4.220 -4.938 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.060 6.715 -4.900 1.00 0.00 C ATOM 0 H VAL A 60 5.888 6.282 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 60 3.550 4.551 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 60 2.336 5.793 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.109 4.341 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.946 3.450 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.558 3.923 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.641 6.743 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.135 6.546 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.869 7.665 -5.399 1.00 0.00 H new ATOM 918 N GLN A 61 2.517 6.589 -8.859 1.00 0.00 N ATOM 919 CA GLN A 61 2.047 7.741 -9.666 1.00 0.00 C ATOM 920 C GLN A 61 0.878 8.433 -8.956 1.00 0.00 C ATOM 921 O GLN A 61 0.105 7.793 -8.260 1.00 0.00 O ATOM 922 CB GLN A 61 1.665 7.311 -11.113 1.00 0.00 C ATOM 923 CG GLN A 61 0.323 6.569 -11.298 1.00 0.00 C ATOM 924 CD GLN A 61 -0.837 7.454 -11.779 1.00 0.00 C ATOM 925 OE1 GLN A 61 -1.625 7.950 -10.989 1.00 0.00 O ATOM 926 NE2 GLN A 61 -0.927 7.673 -13.082 1.00 0.00 N ATOM 0 H GLN A 61 2.001 5.724 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 61 2.866 8.454 -9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.646 8.205 -11.737 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.460 6.672 -11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.466 5.760 -12.014 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.043 6.110 -10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.255 7.245 -13.719 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.669 8.269 -13.449 1.00 0.00 H new ATOM 935 N CYS A 62 0.754 9.734 -9.182 1.00 0.00 N ATOM 936 CA CYS A 62 -0.273 10.594 -8.568 1.00 0.00 C ATOM 937 C CYS A 62 -1.518 10.597 -9.451 1.00 0.00 C ATOM 938 O CYS A 62 -1.437 11.034 -10.594 1.00 0.00 O ATOM 939 CB CYS A 62 0.319 12.007 -8.449 1.00 0.00 C ATOM 940 SG CYS A 62 -0.822 13.354 -8.007 1.00 0.00 S ATOM 0 H CYS A 62 1.376 10.242 -9.811 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.560 10.231 -7.581 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.113 11.979 -7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.786 12.259 -9.401 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.141 14.384 -7.602 1.00 0.00 H new ATOM 945 N ILE A 63 -2.662 10.109 -8.926 1.00 0.00 N ATOM 946 CA ILE A 63 -3.910 9.919 -9.714 1.00 0.00 C ATOM 947 C ILE A 63 -4.677 11.271 -9.796 1.00 0.00 C ATOM 948 O ILE A 63 -5.841 11.391 -9.372 1.00 0.00 O ATOM 949 CB ILE A 63 -4.819 8.789 -9.066 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.960 7.594 -8.555 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.879 8.268 -10.071 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.745 6.544 -7.788 1.00 0.00 C ATOM 0 H ILE A 63 -2.752 9.835 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.652 9.594 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.331 9.245 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.476 7.118 -9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.168 7.979 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.483 7.496 -9.595 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.522 9.092 -10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.378 7.849 -10.944 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.072 5.748 -7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.207 7.002 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.520 6.127 -8.431 1.00 0.00 H new ATOM 964 N ASN A 64 -3.985 12.290 -10.332 1.00 0.00 N ATOM 965 CA ASN A 64 -4.446 13.684 -10.322 1.00 0.00 C ATOM 966 C ASN A 64 -3.653 14.497 -11.371 1.00 0.00 C ATOM 967 O ASN A 64 -4.244 15.178 -12.210 1.00 0.00 O ATOM 968 CB ASN A 64 -4.288 14.294 -8.893 1.00 0.00 C ATOM 969 CG ASN A 64 -4.973 15.654 -8.720 1.00 0.00 C ATOM 970 OD1 ASN A 64 -5.975 15.948 -9.372 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.455 16.484 -7.831 1.00 0.00 N ATOM 0 H ASN A 64 -3.081 12.166 -10.788 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.503 13.722 -10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.698 13.596 -8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.227 14.402 -8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.886 17.394 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.624 16.214 -7.305 1.00 0.00 H new ATOM 978 N CYS A 65 -2.300 14.409 -11.324 1.00 0.00 N ATOM 979 CA CYS A 65 -1.412 15.050 -12.345 1.00 0.00 C ATOM 980 C CYS A 65 -0.614 13.993 -13.133 1.00 0.00 C ATOM 981 O CYS A 65 0.179 14.342 -14.014 1.00 0.00 O ATOM 982 CB CYS A 65 -0.463 16.103 -11.705 1.00 0.00 C ATOM 983 SG CYS A 65 0.830 15.472 -10.574 1.00 0.00 S ATOM 0 H CYS A 65 -1.795 13.904 -10.596 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.058 15.577 -13.047 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.028 16.651 -12.509 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.073 16.821 -11.156 1.00 0.00 H new ATOM 0 HG CYS A 65 0.282 14.727 -9.661 1.00 0.00 H new ATOM 988 N GLU A 66 -0.826 12.697 -12.780 1.00 0.00 N ATOM 989 CA GLU A 66 -0.231 11.506 -13.452 1.00 0.00 C ATOM 990 C GLU A 66 1.315 11.474 -13.414 1.00 0.00 C ATOM 991 O GLU A 66 1.940 10.635 -14.071 1.00 0.00 O ATOM 992 CB GLU A 66 -0.768 11.364 -14.901 1.00 0.00 C ATOM 993 CG GLU A 66 -2.300 11.225 -15.001 1.00 0.00 C ATOM 994 CD GLU A 66 -2.772 10.996 -16.443 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.871 11.978 -17.214 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.013 9.830 -16.821 1.00 0.00 O ATOM 0 H GLU A 66 -1.431 12.443 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.552 10.640 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.456 12.234 -15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.305 10.492 -15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.628 10.394 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.771 12.125 -14.606 1.00 0.00 H new ATOM 1003 N LYS A 67 1.908 12.374 -12.616 1.00 0.00 N ATOM 1004 CA LYS A 67 3.354 12.451 -12.401 1.00 0.00 C ATOM 1005 C LYS A 67 3.815 11.230 -11.592 1.00 0.00 C ATOM 1006 O LYS A 67 3.157 10.849 -10.610 1.00 0.00 O ATOM 1007 CB LYS A 67 3.681 13.773 -11.653 1.00 0.00 C ATOM 1008 CG LYS A 67 5.157 14.020 -11.238 1.00 0.00 C ATOM 1009 CD LYS A 67 6.135 14.386 -12.389 1.00 0.00 C ATOM 1010 CE LYS A 67 6.825 13.171 -13.037 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.950 13.562 -13.926 1.00 0.00 N ATOM 0 H LYS A 67 1.385 13.078 -12.095 1.00 0.00 H new ATOM 0 HA LYS A 67 3.882 12.448 -13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.367 14.603 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.068 13.809 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.177 14.823 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.529 13.123 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.587 14.932 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.899 15.061 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.197 12.509 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.092 12.605 -13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.380 12.709 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.594 14.172 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.664 14.079 -13.375 1.00 0.00 H new ATOM 1025 N ILE A 68 4.936 10.628 -12.018 1.00 0.00 N ATOM 1026 CA ILE A 68 5.559 9.514 -11.301 1.00 0.00 C ATOM 1027 C ILE A 68 6.386 10.090 -10.147 1.00 0.00 C ATOM 1028 O ILE A 68 7.192 11.010 -10.338 1.00 0.00 O ATOM 1029 CB ILE A 68 6.501 8.657 -12.231 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.705 8.012 -13.411 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.253 7.574 -11.408 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.724 6.922 -13.004 1.00 0.00 C ATOM 0 H ILE A 68 5.432 10.901 -12.867 1.00 0.00 H new ATOM 0 HA ILE A 68 4.769 8.856 -10.939 1.00 0.00 H new ATOM 0 HB ILE A 68 7.241 9.330 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.157 8.797 -13.932 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.416 7.593 -14.123 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.897 6.995 -12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.860 8.056 -10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.530 6.910 -10.934 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.220 6.536 -13.890 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.263 6.113 -12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.985 7.335 -12.318 1.00 0.00 H new ATOM 1044 N GLN A 69 6.144 9.548 -8.956 1.00 0.00 N ATOM 1045 CA GLN A 69 6.800 9.970 -7.712 1.00 0.00 C ATOM 1046 C GLN A 69 7.593 8.796 -7.149 1.00 0.00 C ATOM 1047 O GLN A 69 7.422 7.657 -7.579 1.00 0.00 O ATOM 1048 CB GLN A 69 5.736 10.444 -6.649 1.00 0.00 C ATOM 1049 CG GLN A 69 4.383 10.941 -7.221 1.00 0.00 C ATOM 1050 CD GLN A 69 4.362 12.356 -7.808 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.328 13.020 -7.781 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.461 12.831 -8.366 1.00 0.00 N ATOM 0 H GLN A 69 5.475 8.790 -8.821 1.00 0.00 H new ATOM 0 HA GLN A 69 7.464 10.806 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.538 9.617 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.175 11.247 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.066 10.246 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.639 10.891 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.311 12.267 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.460 13.762 -8.783 1.00 0.00 H new ATOM 1061 N HIS A 70 8.452 9.098 -6.183 1.00 0.00 N ATOM 1062 CA HIS A 70 9.026 8.085 -5.288 1.00 0.00 C ATOM 1063 C HIS A 70 7.959 7.755 -4.229 1.00 0.00 C ATOM 1064 O HIS A 70 7.069 8.587 -3.977 1.00 0.00 O ATOM 1065 CB HIS A 70 10.331 8.609 -4.631 1.00 0.00 C ATOM 1066 CG HIS A 70 10.149 9.815 -3.738 1.00 0.00 C ATOM 1067 ND1 HIS A 70 9.945 11.090 -4.224 1.00 0.00 N ATOM 1068 CD2 HIS A 70 10.130 9.931 -2.386 1.00 0.00 C ATOM 1069 CE1 HIS A 70 9.810 11.927 -3.221 1.00 0.00 C ATOM 1070 NE2 HIS A 70 9.916 11.250 -2.098 1.00 0.00 N ATOM 0 H HIS A 70 8.773 10.047 -5.993 1.00 0.00 H new ATOM 0 HA HIS A 70 9.295 7.186 -5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.775 7.804 -4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.042 8.861 -5.418 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.260 9.131 -1.672 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.641 12.990 -3.304 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.849 11.647 -1.161 1.00 0.00 H new ATOM 1079 N ALA A 71 8.034 6.561 -3.622 1.00 0.00 N ATOM 1080 CA ALA A 71 7.050 6.132 -2.614 1.00 0.00 C ATOM 1081 C ALA A 71 7.076 7.066 -1.376 1.00 0.00 C ATOM 1082 O ALA A 71 7.982 7.005 -0.536 1.00 0.00 O ATOM 1083 CB ALA A 71 7.274 4.667 -2.245 1.00 0.00 C ATOM 0 H ALA A 71 8.765 5.875 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 71 6.050 6.211 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.540 4.363 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.165 4.047 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.277 4.544 -1.837 1.00 0.00 H new ATOM 1089 N GLN A 72 6.066 7.950 -1.326 1.00 0.00 N ATOM 1090 CA GLN A 72 5.925 9.029 -0.335 1.00 0.00 C ATOM 1091 C GLN A 72 4.422 9.221 -0.039 1.00 0.00 C ATOM 1092 O GLN A 72 3.582 8.731 -0.797 1.00 0.00 O ATOM 1093 CB GLN A 72 6.597 10.321 -0.915 1.00 0.00 C ATOM 1094 CG GLN A 72 6.519 11.593 -0.041 1.00 0.00 C ATOM 1095 CD GLN A 72 7.437 12.722 -0.529 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.574 12.854 -0.074 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.981 13.504 -1.497 1.00 0.00 N ATOM 0 H GLN A 72 5.299 7.932 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 72 6.421 8.791 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.648 10.102 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.137 10.541 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.490 11.952 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.783 11.337 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.035 13.373 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.576 14.237 -1.883 1.00 0.00 H new ATOM 1106 N GLN A 73 4.093 9.890 1.080 1.00 0.00 N ATOM 1107 CA GLN A 73 2.693 10.139 1.486 1.00 0.00 C ATOM 1108 C GLN A 73 2.010 11.179 0.582 1.00 0.00 C ATOM 1109 O GLN A 73 0.806 11.101 0.336 1.00 0.00 O ATOM 1110 CB GLN A 73 2.624 10.618 2.960 1.00 0.00 C ATOM 1111 CG GLN A 73 1.186 10.818 3.491 1.00 0.00 C ATOM 1112 CD GLN A 73 1.101 11.232 4.960 1.00 0.00 C ATOM 1113 OE1 GLN A 73 1.985 11.905 5.489 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.032 10.827 5.628 1.00 0.00 N ATOM 0 H GLN A 73 4.783 10.272 1.727 1.00 0.00 H new ATOM 0 HA GLN A 73 2.162 9.193 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.135 9.891 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.168 11.558 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.691 11.576 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.631 9.890 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.682 10.270 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.077 11.072 6.612 1.00 0.00 H new ATOM 1123 N THR A 74 2.784 12.158 0.104 1.00 0.00 N ATOM 1124 CA THR A 74 2.245 13.308 -0.633 1.00 0.00 C ATOM 1125 C THR A 74 2.990 13.495 -1.975 1.00 0.00 C ATOM 1126 O THR A 74 4.122 13.043 -2.144 1.00 0.00 O ATOM 1127 CB THR A 74 2.351 14.611 0.241 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.991 14.314 1.603 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.444 15.745 -0.267 1.00 0.00 C ATOM 0 H THR A 74 3.798 12.177 0.216 1.00 0.00 H new ATOM 0 HA THR A 74 1.194 13.117 -0.851 1.00 0.00 H new ATOM 0 HB THR A 74 3.385 14.950 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.060 15.128 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.559 16.618 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.724 16.005 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.405 15.416 -0.249 1.00 0.00 H new ATOM 1137 N CYS A 75 2.296 14.121 -2.930 1.00 0.00 N ATOM 1138 CA CYS A 75 2.855 14.558 -4.217 1.00 0.00 C ATOM 1139 C CYS A 75 3.476 15.938 -4.042 1.00 0.00 C ATOM 1140 O CYS A 75 2.770 16.898 -3.779 1.00 0.00 O ATOM 1141 CB CYS A 75 1.717 14.617 -5.257 1.00 0.00 C ATOM 1142 SG CYS A 75 2.094 15.375 -6.873 1.00 0.00 S ATOM 0 H CYS A 75 1.306 14.344 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 75 3.621 13.861 -4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.371 13.599 -5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.885 15.164 -4.815 1.00 0.00 H new ATOM 0 HG CYS A 75 2.735 14.521 -7.614 1.00 0.00 H new ATOM 1147 N GLU A 76 4.795 16.009 -4.137 1.00 0.00 N ATOM 1148 CA GLU A 76 5.541 17.281 -4.174 1.00 0.00 C ATOM 1149 C GLU A 76 5.112 18.150 -5.390 1.00 0.00 C ATOM 1150 O GLU A 76 5.164 19.379 -5.334 1.00 0.00 O ATOM 1151 CB GLU A 76 7.074 16.994 -4.217 1.00 0.00 C ATOM 1152 CG GLU A 76 7.605 16.320 -5.513 1.00 0.00 C ATOM 1153 CD GLU A 76 7.099 14.886 -5.748 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.750 13.920 -5.284 1.00 0.00 O ATOM 1155 OE2 GLU A 76 6.042 14.721 -6.390 1.00 0.00 O ATOM 0 H GLU A 76 5.393 15.185 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 76 5.309 17.843 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.604 17.936 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.328 16.357 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.322 16.935 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.694 16.305 -5.478 1.00 0.00 H new ATOM 1162 N GLU A 77 4.659 17.469 -6.463 1.00 0.00 N ATOM 1163 CA GLU A 77 4.278 18.091 -7.743 1.00 0.00 C ATOM 1164 C GLU A 77 2.972 18.932 -7.636 1.00 0.00 C ATOM 1165 O GLU A 77 2.866 19.970 -8.290 1.00 0.00 O ATOM 1166 CB GLU A 77 4.140 16.984 -8.834 1.00 0.00 C ATOM 1167 CG GLU A 77 4.069 17.500 -10.287 1.00 0.00 C ATOM 1168 CD GLU A 77 5.383 18.144 -10.771 1.00 0.00 C ATOM 1169 OE1 GLU A 77 6.445 17.493 -10.661 1.00 0.00 O ATOM 1170 OE2 GLU A 77 5.363 19.295 -11.259 1.00 0.00 O ATOM 0 H GLU A 77 4.547 16.455 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 77 5.067 18.789 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.987 16.304 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.242 16.402 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.814 16.671 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.264 18.230 -10.367 1.00 0.00 H new ATOM 1177 N CYS A 78 1.977 18.494 -6.807 1.00 0.00 N ATOM 1178 CA CYS A 78 0.672 19.226 -6.682 1.00 0.00 C ATOM 1179 C CYS A 78 -0.026 18.985 -5.318 1.00 0.00 C ATOM 1180 O CYS A 78 -1.252 19.114 -5.217 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.286 18.876 -7.867 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.089 17.234 -7.782 1.00 0.00 S ATOM 0 H CYS A 78 2.047 17.658 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 78 0.909 20.289 -6.729 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.064 19.638 -7.918 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.280 18.935 -8.797 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.638 17.079 -6.614 1.00 0.00 H new ATOM 1187 N SER A 79 0.773 18.661 -4.274 1.00 0.00 N ATOM 1188 CA SER A 79 0.310 18.538 -2.859 1.00 0.00 C ATOM 1189 C SER A 79 -0.820 17.492 -2.659 1.00 0.00 C ATOM 1190 O SER A 79 -1.590 17.577 -1.692 1.00 0.00 O ATOM 1191 CB SER A 79 -0.095 19.933 -2.315 1.00 0.00 C ATOM 1192 OG SER A 79 0.992 20.849 -2.410 1.00 0.00 O ATOM 0 H SER A 79 1.770 18.474 -4.385 1.00 0.00 H new ATOM 0 HA SER A 79 1.151 18.156 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.947 20.314 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.412 19.845 -1.276 1.00 0.00 H new ATOM 0 HG SER A 79 0.715 21.723 -2.063 1.00 0.00 H new ATOM 1198 N THR A 80 -0.877 16.483 -3.551 1.00 0.00 N ATOM 1199 CA THR A 80 -1.890 15.409 -3.483 1.00 0.00 C ATOM 1200 C THR A 80 -1.593 14.435 -2.329 1.00 0.00 C ATOM 1201 O THR A 80 -0.554 13.765 -2.337 1.00 0.00 O ATOM 1202 CB THR A 80 -1.955 14.601 -4.819 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.122 15.501 -5.917 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.098 13.566 -4.823 1.00 0.00 C ATOM 0 H THR A 80 -0.229 16.389 -4.333 1.00 0.00 H new ATOM 0 HA THR A 80 -2.850 15.895 -3.310 1.00 0.00 H new ATOM 0 HB THR A 80 -1.017 14.055 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.323 15.478 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.101 13.031 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.950 12.858 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.052 14.077 -4.692 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.506 14.369 -1.348 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.417 13.397 -0.248 1.00 0.00 C ATOM 1214 C LEU A 81 -2.807 11.998 -0.771 1.00 0.00 C ATOM 1215 O LEU A 81 -3.980 11.743 -1.084 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.333 13.818 0.935 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.240 12.927 2.217 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.823 12.985 2.836 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.321 13.321 3.255 1.00 0.00 C ATOM 0 H LEU A 81 -3.320 14.982 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.392 13.368 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.091 14.844 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.366 13.816 0.588 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.430 11.896 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.789 12.356 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.094 12.626 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.587 14.013 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.230 12.684 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.184 14.362 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.311 13.194 2.816 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.801 11.120 -0.901 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.980 9.738 -1.393 1.00 0.00 C ATOM 1233 C PHE A 82 -2.713 8.862 -0.372 1.00 0.00 C ATOM 1234 O PHE A 82 -3.382 7.900 -0.746 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.612 9.101 -1.740 1.00 0.00 C ATOM 1236 CG PHE A 82 0.186 9.804 -2.840 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.428 10.646 -3.767 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.559 9.599 -2.953 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.301 11.251 -4.762 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.288 10.205 -3.952 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.658 11.032 -4.854 1.00 0.00 C ATOM 0 H PHE A 82 -0.834 11.346 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.591 9.794 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.004 9.075 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.779 8.067 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.491 10.825 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.060 8.954 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.190 11.899 -5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.351 10.032 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.229 11.510 -5.636 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.569 9.200 0.909 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.228 8.463 1.973 1.00 0.00 C ATOM 1253 C GLY A 83 -3.065 9.131 3.315 1.00 0.00 C ATOM 1254 O GLY A 83 -2.016 9.729 3.587 1.00 0.00 O ATOM 0 H GLY A 83 -1.999 9.983 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.289 8.368 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.820 7.453 2.020 1.00 0.00 H new ATOM 1258 N GLU A 84 -4.106 9.030 4.153 1.00 0.00 N ATOM 1259 CA GLU A 84 -4.090 9.555 5.529 1.00 0.00 C ATOM 1260 C GLU A 84 -3.041 8.790 6.347 1.00 0.00 C ATOM 1261 O GLU A 84 -2.234 9.383 7.066 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.488 9.410 6.172 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.629 10.089 5.392 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.996 9.943 6.076 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -8.582 8.838 6.026 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.485 10.928 6.677 1.00 0.00 O ATOM 0 H GLU A 84 -4.986 8.581 3.897 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.831 10.614 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.717 8.349 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.455 9.828 7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.400 11.148 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.682 9.660 4.391 1.00 0.00 H new ATOM 1273 N TYR A 85 -3.079 7.457 6.205 1.00 0.00 N ATOM 1274 CA TYR A 85 -2.053 6.551 6.733 1.00 0.00 C ATOM 1275 C TYR A 85 -1.021 6.306 5.617 1.00 0.00 C ATOM 1276 O TYR A 85 -1.390 6.128 4.446 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.697 5.211 7.195 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.801 4.355 8.118 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.751 3.578 7.611 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -2.016 4.325 9.499 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.044 2.820 8.446 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -1.222 3.565 10.332 1.00 0.00 C ATOM 1283 CZ TYR A 85 -0.198 2.815 9.802 1.00 0.00 C ATOM 1284 OH TYR A 85 0.592 2.059 10.633 1.00 0.00 O ATOM 0 H TYR A 85 -3.832 6.974 5.715 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.565 6.994 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.629 5.431 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.955 4.624 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.561 3.572 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.820 4.909 9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.853 2.233 8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.404 3.559 11.397 1.00 0.00 H new ATOM 0 HH TYR A 85 0.290 2.167 11.559 1.00 0.00 H new ATOM 1294 N TYR A 86 0.266 6.313 5.980 1.00 0.00 N ATOM 1295 CA TYR A 86 1.366 6.079 5.028 1.00 0.00 C ATOM 1296 C TYR A 86 2.378 5.097 5.624 1.00 0.00 C ATOM 1297 O TYR A 86 2.499 5.008 6.856 1.00 0.00 O ATOM 1298 CB TYR A 86 2.049 7.413 4.629 1.00 0.00 C ATOM 1299 CG TYR A 86 2.966 8.065 5.693 1.00 0.00 C ATOM 1300 CD1 TYR A 86 2.466 8.510 6.919 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.329 8.238 5.451 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.295 9.099 7.856 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.157 8.825 6.383 1.00 0.00 C ATOM 1304 CZ TYR A 86 4.637 9.253 7.584 1.00 0.00 C ATOM 1305 OH TYR A 86 5.469 9.836 8.515 1.00 0.00 O ATOM 0 H TYR A 86 0.577 6.480 6.937 1.00 0.00 H new ATOM 0 HA TYR A 86 0.952 5.639 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.640 7.238 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.271 8.129 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.415 8.392 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.745 7.904 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.892 9.438 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.209 8.949 6.172 1.00 0.00 H new ATOM 0 HH TYR A 86 6.383 9.866 8.163 1.00 0.00 H new ATOM 1315 N CYS A 87 3.092 4.365 4.747 1.00 0.00 N ATOM 1316 CA CYS A 87 4.141 3.425 5.159 1.00 0.00 C ATOM 1317 C CYS A 87 4.914 2.911 3.931 1.00 0.00 C ATOM 1318 O CYS A 87 4.350 2.193 3.098 1.00 0.00 O ATOM 1319 CB CYS A 87 3.503 2.251 5.917 1.00 0.00 C ATOM 1320 SG CYS A 87 4.678 1.131 6.710 1.00 0.00 S ATOM 0 H CYS A 87 2.955 4.412 3.737 1.00 0.00 H new ATOM 0 HA CYS A 87 4.845 3.938 5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.833 2.650 6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.890 1.678 5.221 1.00 0.00 H new ATOM 0 HG CYS A 87 4.426 -0.091 6.346 1.00 0.00 H new ATOM 1325 N ASP A 88 6.209 3.268 3.849 1.00 0.00 N ATOM 1326 CA ASP A 88 7.093 2.907 2.720 1.00 0.00 C ATOM 1327 C ASP A 88 7.620 1.473 2.854 1.00 0.00 C ATOM 1328 O ASP A 88 7.792 0.791 1.843 1.00 0.00 O ATOM 1329 CB ASP A 88 8.273 3.903 2.617 1.00 0.00 C ATOM 1330 CG ASP A 88 9.308 3.522 1.540 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.974 3.580 0.341 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.445 3.130 1.893 1.00 0.00 O ATOM 0 H ASP A 88 6.677 3.819 4.569 1.00 0.00 H new ATOM 0 HA ASP A 88 6.501 2.962 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.881 4.896 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.772 3.963 3.584 1.00 0.00 H new ATOM 1337 N ILE A 89 7.843 1.014 4.103 1.00 0.00 N ATOM 1338 CA ILE A 89 8.334 -0.354 4.383 1.00 0.00 C ATOM 1339 C ILE A 89 7.393 -1.406 3.735 1.00 0.00 C ATOM 1340 O ILE A 89 7.846 -2.391 3.139 1.00 0.00 O ATOM 1341 CB ILE A 89 8.477 -0.596 5.939 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.521 0.402 6.554 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.865 -2.062 6.262 1.00 0.00 C ATOM 1344 CD1 ILE A 89 9.720 0.295 8.063 1.00 0.00 C ATOM 0 H ILE A 89 7.690 1.575 4.941 1.00 0.00 H new ATOM 0 HA ILE A 89 9.324 -0.464 3.941 1.00 0.00 H new ATOM 0 HB ILE A 89 7.503 -0.411 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.482 0.242 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.209 1.419 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.953 -2.186 7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.096 -2.734 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.819 -2.298 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.460 1.027 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.774 0.488 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.068 -0.707 8.314 1.00 0.00 H new ATOM 1356 N CYS A 90 6.081 -1.123 3.798 1.00 0.00 N ATOM 1357 CA CYS A 90 5.032 -1.964 3.193 1.00 0.00 C ATOM 1358 C CYS A 90 4.633 -1.432 1.796 1.00 0.00 C ATOM 1359 O CYS A 90 3.991 -2.147 1.020 1.00 0.00 O ATOM 1360 CB CYS A 90 3.811 -1.987 4.127 1.00 0.00 C ATOM 1361 SG CYS A 90 4.193 -2.469 5.838 1.00 0.00 S ATOM 0 H CYS A 90 5.715 -0.298 4.274 1.00 0.00 H new ATOM 0 HA CYS A 90 5.415 -2.976 3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.353 -0.998 4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.071 -2.678 3.723 1.00 0.00 H new ATOM 0 HG CYS A 90 5.061 -3.437 5.833 1.00 0.00 H new ATOM 1366 N HIS A 91 5.014 -0.159 1.517 1.00 0.00 N ATOM 1367 CA HIS A 91 4.699 0.581 0.263 1.00 0.00 C ATOM 1368 C HIS A 91 3.193 0.866 0.102 1.00 0.00 C ATOM 1369 O HIS A 91 2.725 1.213 -0.993 1.00 0.00 O ATOM 1370 CB HIS A 91 5.302 -0.121 -0.990 1.00 0.00 C ATOM 1371 CG HIS A 91 6.778 0.127 -1.173 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.764 -0.681 -0.651 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.418 1.148 -1.786 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.946 -0.157 -0.925 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.764 0.954 -1.613 1.00 0.00 N ATOM 0 H HIS A 91 5.563 0.397 2.173 1.00 0.00 H new ATOM 0 HA HIS A 91 5.182 1.554 0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.130 -1.195 -0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.772 0.223 -1.878 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.954 1.967 -2.315 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.901 -0.569 -0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.502 1.567 -1.959 1.00 0.00 H new ATOM 1384 N LEU A 92 2.448 0.790 1.216 1.00 0.00 N ATOM 1385 CA LEU A 92 1.014 1.087 1.232 1.00 0.00 C ATOM 1386 C LEU A 92 0.829 2.534 1.694 1.00 0.00 C ATOM 1387 O LEU A 92 1.464 2.974 2.666 1.00 0.00 O ATOM 1388 CB LEU A 92 0.244 0.063 2.134 1.00 0.00 C ATOM 1389 CG LEU A 92 0.443 0.132 3.698 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.487 1.173 4.383 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.250 -1.261 4.338 1.00 0.00 C ATOM 0 H LEU A 92 2.824 0.522 2.125 1.00 0.00 H new ATOM 0 HA LEU A 92 0.591 0.984 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.821 0.179 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.523 -0.939 1.809 1.00 0.00 H new ATOM 0 HG LEU A 92 1.468 0.465 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.303 1.174 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.283 2.165 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.528 0.911 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.392 -1.189 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.757 -1.622 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.979 -1.957 3.922 1.00 0.00 H new ATOM 1403 N PHE A 93 0.006 3.278 0.960 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.417 4.634 1.326 1.00 0.00 C ATOM 1405 C PHE A 93 -1.905 4.675 1.023 1.00 0.00 C ATOM 1406 O PHE A 93 -2.252 4.611 -0.138 1.00 0.00 O ATOM 1407 CB PHE A 93 0.331 5.729 0.480 1.00 0.00 C ATOM 1408 CG PHE A 93 1.846 5.526 0.363 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.652 5.510 1.500 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.457 5.339 -0.876 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.011 5.304 1.405 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.818 5.134 -0.969 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.593 5.117 0.174 1.00 0.00 C ATOM 0 H PHE A 93 -0.394 2.954 0.080 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.189 4.847 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.097 5.749 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.143 6.705 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.204 5.661 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.857 5.355 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.619 5.289 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.277 4.987 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.658 4.956 0.100 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.761 4.744 2.039 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.231 4.747 1.856 1.00 0.00 C ATOM 1425 C ASP A 94 -4.888 5.463 3.033 1.00 0.00 C ATOM 1426 O ASP A 94 -4.196 5.922 3.951 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.799 3.302 1.678 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.561 2.377 2.886 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -3.436 1.840 3.011 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.496 2.173 3.696 1.00 0.00 O ATOM 0 H ASP A 94 -2.468 4.800 3.014 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.464 5.285 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.871 3.366 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.346 2.852 0.795 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.220 5.596 2.983 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.991 6.255 4.050 1.00 0.00 C ATOM 1437 C LYS A 95 -6.817 5.509 5.387 1.00 0.00 C ATOM 1438 O LYS A 95 -6.769 4.273 5.403 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.490 6.309 3.686 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.828 7.050 2.372 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.355 7.157 2.140 1.00 0.00 C ATOM 1442 CE LYS A 95 -11.050 8.060 3.180 1.00 0.00 C ATOM 1443 NZ LYS A 95 -12.523 8.099 2.995 1.00 0.00 N ATOM 0 H LYS A 95 -6.791 5.254 2.210 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.612 7.271 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.866 5.288 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.028 6.790 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.395 8.050 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.370 6.526 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.540 7.551 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.795 6.161 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.821 7.699 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.649 9.071 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.947 8.717 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.744 8.468 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.911 7.139 3.091 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.761 6.257 6.506 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.585 5.654 7.829 1.00 0.00 C ATOM 1459 C ASP A 96 -7.920 5.040 8.242 1.00 0.00 C ATOM 1460 O ASP A 96 -8.903 5.749 8.485 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.102 6.685 8.882 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.022 6.078 10.309 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.036 5.368 10.620 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.966 6.273 11.112 1.00 0.00 O ATOM 0 H ASP A 96 -6.835 7.274 6.514 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.810 4.889 7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.120 7.062 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.781 7.538 8.890 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.942 3.716 8.277 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.118 2.920 8.632 1.00 0.00 C ATOM 1471 C LYS A 97 -8.750 2.063 9.833 1.00 0.00 C ATOM 1472 O LYS A 97 -8.991 0.846 9.870 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.545 2.092 7.388 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.925 2.977 6.175 1.00 0.00 C ATOM 1475 CD LYS A 97 -10.139 2.180 4.872 1.00 0.00 C ATOM 1476 CE LYS A 97 -10.617 3.070 3.714 1.00 0.00 C ATOM 1477 NZ LYS A 97 -10.953 2.278 2.510 1.00 0.00 N ATOM 0 H LYS A 97 -7.125 3.147 8.055 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.974 3.534 8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.730 1.426 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.394 1.462 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.837 3.527 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.140 3.716 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.206 1.692 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.871 1.392 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.492 3.638 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.840 3.793 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.040 2.912 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.201 1.582 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.855 1.782 2.661 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.118 2.763 10.808 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.702 2.219 12.106 1.00 0.00 C ATOM 1493 C LYS A 98 -6.535 1.230 11.990 1.00 0.00 C ATOM 1494 O LYS A 98 -6.150 0.644 12.993 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.899 1.582 12.866 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.050 2.552 13.190 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.589 3.788 13.989 1.00 0.00 C ATOM 1498 CE LYS A 98 -10.749 4.745 14.292 1.00 0.00 C ATOM 1499 NZ LYS A 98 -11.758 4.130 15.191 1.00 0.00 N ATOM 0 H LYS A 98 -7.881 3.749 10.700 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.340 3.065 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.293 0.759 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.532 1.152 13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.514 2.880 12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.815 2.023 13.759 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.133 3.465 14.925 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.821 4.317 13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.359 5.653 14.752 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.228 5.041 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.257 4.877 15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.442 3.587 14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.283 3.494 15.863 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.931 1.104 10.791 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.891 0.091 10.532 1.00 0.00 C ATOM 1515 C GLN A 99 -3.616 0.364 11.365 1.00 0.00 C ATOM 1516 O GLN A 99 -3.283 1.520 11.652 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.546 0.009 9.025 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.856 1.245 8.430 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.238 0.964 7.060 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.102 0.491 6.981 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -3.953 1.258 5.989 1.00 0.00 N ATOM 0 H GLN A 99 -6.147 1.693 9.987 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.297 -0.872 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.902 -0.856 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.466 -0.173 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.581 2.054 8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.079 1.588 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.890 1.648 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.568 1.095 5.058 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.911 -0.719 11.737 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.730 -0.674 12.628 1.00 0.00 C ATOM 1532 C TYR A 100 -0.521 -1.316 11.939 1.00 0.00 C ATOM 1533 O TYR A 100 -0.639 -2.405 11.353 1.00 0.00 O ATOM 1534 CB TYR A 100 -2.042 -1.422 13.959 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.415 -2.914 13.784 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.719 -3.298 13.456 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.458 -3.935 13.914 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -4.054 -4.628 13.268 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.796 -5.262 13.727 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.092 -5.601 13.404 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.425 -6.923 13.237 1.00 0.00 O ATOM 0 H TYR A 100 -3.145 -1.662 11.426 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.496 0.367 12.849 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.173 -1.352 14.613 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.862 -0.912 14.464 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.481 -2.541 13.347 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.439 -3.678 14.165 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.068 -4.901 13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.046 -6.032 13.834 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.697 -7.303 14.098 1.00 0.00 H new ATOM 1551 N HIS A 101 0.641 -0.643 11.977 1.00 0.00 N ATOM 1552 CA HIS A 101 1.910 -1.243 11.537 1.00 0.00 C ATOM 1553 C HIS A 101 2.555 -1.993 12.703 1.00 0.00 C ATOM 1554 O HIS A 101 3.088 -1.382 13.630 1.00 0.00 O ATOM 1555 CB HIS A 101 2.860 -0.180 10.910 1.00 0.00 C ATOM 1556 CG HIS A 101 4.229 -0.710 10.531 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.510 -1.305 9.294 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.353 -0.736 11.296 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.785 -1.660 9.396 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.319 -1.339 10.569 1.00 0.00 N ATOM 0 H HIS A 101 0.727 0.318 12.308 1.00 0.00 H new ATOM 0 HA HIS A 101 1.707 -1.964 10.745 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.385 0.234 10.021 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.984 0.641 11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.455 -0.347 12.298 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.331 -2.158 8.608 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.279 -1.515 10.866 1.00 0.00 H new ATOM 1568 N CYS A 102 2.443 -3.328 12.646 1.00 0.00 N ATOM 1569 CA CYS A 102 3.099 -4.241 13.578 1.00 0.00 C ATOM 1570 C CYS A 102 4.611 -4.232 13.299 1.00 0.00 C ATOM 1571 O CYS A 102 5.032 -4.557 12.181 1.00 0.00 O ATOM 1572 CB CYS A 102 2.522 -5.663 13.415 1.00 0.00 C ATOM 1573 SG CYS A 102 3.092 -6.849 14.668 1.00 0.00 S ATOM 0 H CYS A 102 1.885 -3.806 11.939 1.00 0.00 H new ATOM 0 HA CYS A 102 2.921 -3.919 14.604 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.434 -5.608 13.452 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.788 -6.040 12.427 1.00 0.00 H new ATOM 0 HG CYS A 102 3.435 -7.961 14.089 1.00 0.00 H new ATOM 1578 N GLU A 103 5.401 -3.845 14.313 1.00 0.00 N ATOM 1579 CA GLU A 103 6.858 -3.632 14.193 1.00 0.00 C ATOM 1580 C GLU A 103 7.590 -4.963 13.918 1.00 0.00 C ATOM 1581 O GLU A 103 8.460 -5.038 13.043 1.00 0.00 O ATOM 1582 CB GLU A 103 7.436 -2.978 15.488 1.00 0.00 C ATOM 1583 CG GLU A 103 6.758 -1.656 15.948 1.00 0.00 C ATOM 1584 CD GLU A 103 5.473 -1.857 16.783 1.00 0.00 C ATOM 1585 OE1 GLU A 103 5.575 -2.039 18.016 1.00 0.00 O ATOM 1586 OE2 GLU A 103 4.358 -1.848 16.217 1.00 0.00 O ATOM 0 H GLU A 103 5.045 -3.668 15.252 1.00 0.00 H new ATOM 0 HA GLU A 103 7.021 -2.958 13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.363 -3.702 16.300 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.497 -2.783 15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.473 -1.080 16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.516 -1.060 15.068 1.00 0.00 H new ATOM 1593 N ASN A 104 7.195 -6.007 14.675 1.00 0.00 N ATOM 1594 CA ASN A 104 7.802 -7.355 14.605 1.00 0.00 C ATOM 1595 C ASN A 104 7.619 -7.975 13.210 1.00 0.00 C ATOM 1596 O ASN A 104 8.584 -8.421 12.590 1.00 0.00 O ATOM 1597 CB ASN A 104 7.179 -8.289 15.682 1.00 0.00 C ATOM 1598 CG ASN A 104 7.681 -9.749 15.635 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.920 -10.676 15.871 1.00 0.00 O ATOM 1600 ND2 ASN A 104 8.963 -9.966 15.362 1.00 0.00 N ATOM 0 H ASN A 104 6.440 -5.939 15.358 1.00 0.00 H new ATOM 0 HA ASN A 104 8.870 -7.248 14.798 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.392 -7.877 16.668 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.096 -8.287 15.563 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.327 -10.919 15.347 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.583 -9.180 15.168 1.00 0.00 H new ATOM 1607 N CYS A 105 6.365 -7.988 12.734 1.00 0.00 N ATOM 1608 CA CYS A 105 6.015 -8.559 11.418 1.00 0.00 C ATOM 1609 C CYS A 105 6.409 -7.603 10.274 1.00 0.00 C ATOM 1610 O CYS A 105 6.476 -8.012 9.111 1.00 0.00 O ATOM 1611 CB CYS A 105 4.511 -8.878 11.377 1.00 0.00 C ATOM 1612 SG CYS A 105 3.965 -9.998 12.700 1.00 0.00 S ATOM 0 H CYS A 105 5.568 -7.607 13.244 1.00 0.00 H new ATOM 0 HA CYS A 105 6.576 -9.483 11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.949 -7.947 11.447 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.270 -9.325 10.412 1.00 0.00 H new ATOM 0 HG CYS A 105 2.722 -9.753 12.990 1.00 0.00 H new ATOM 1617 N GLY A 106 6.623 -6.324 10.627 1.00 0.00 N ATOM 1618 CA GLY A 106 7.140 -5.323 9.694 1.00 0.00 C ATOM 1619 C GLY A 106 6.113 -4.873 8.671 1.00 0.00 C ATOM 1620 O GLY A 106 6.468 -4.272 7.663 1.00 0.00 O ATOM 0 H GLY A 106 6.442 -5.962 11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.487 -4.456 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.006 -5.733 9.174 1.00 0.00 H new ATOM 1624 N ILE A 107 4.819 -5.119 8.956 1.00 0.00 N ATOM 1625 CA ILE A 107 3.708 -4.874 8.005 1.00 0.00 C ATOM 1626 C ILE A 107 2.520 -4.197 8.710 1.00 0.00 C ATOM 1627 O ILE A 107 2.380 -4.294 9.935 1.00 0.00 O ATOM 1628 CB ILE A 107 3.212 -6.218 7.335 1.00 0.00 C ATOM 1629 CG1 ILE A 107 2.775 -7.256 8.427 1.00 0.00 C ATOM 1630 CG2 ILE A 107 4.297 -6.810 6.397 1.00 0.00 C ATOM 1631 CD1 ILE A 107 2.170 -8.541 7.886 1.00 0.00 C ATOM 0 H ILE A 107 4.511 -5.494 9.853 1.00 0.00 H new ATOM 0 HA ILE A 107 4.095 -4.214 7.229 1.00 0.00 H new ATOM 0 HB ILE A 107 2.340 -5.988 6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.644 -7.509 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.050 -6.781 9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.928 -7.733 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.527 -6.093 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.199 -7.020 6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.900 -9.194 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.279 -8.307 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.897 -9.045 7.249 1.00 0.00 H new ATOM 1643 N CYS A 108 1.670 -3.504 7.920 1.00 0.00 N ATOM 1644 CA CYS A 108 0.353 -3.015 8.376 1.00 0.00 C ATOM 1645 C CYS A 108 -0.766 -3.559 7.481 1.00 0.00 C ATOM 1646 O CYS A 108 -0.556 -3.827 6.295 1.00 0.00 O ATOM 1647 CB CYS A 108 0.284 -1.459 8.485 1.00 0.00 C ATOM 1648 SG CYS A 108 1.345 -0.487 7.390 1.00 0.00 S ATOM 0 H CYS A 108 1.879 -3.269 6.950 1.00 0.00 H new ATOM 0 HA CYS A 108 0.209 -3.397 9.387 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.748 -1.157 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.523 -1.185 9.512 1.00 0.00 H new ATOM 0 HG CYS A 108 2.286 -1.246 6.911 1.00 0.00 H new ATOM 1653 N ARG A 109 -1.949 -3.720 8.089 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.166 -4.211 7.425 1.00 0.00 C ATOM 1655 C ARG A 109 -4.380 -3.556 8.105 1.00 0.00 C ATOM 1656 O ARG A 109 -4.279 -3.136 9.272 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.219 -5.780 7.485 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.335 -6.424 8.909 1.00 0.00 C ATOM 1659 CD ARG A 109 -4.795 -6.602 9.388 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.894 -7.184 10.737 1.00 0.00 N ATOM 1661 CZ ARG A 109 -6.048 -7.454 11.376 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -7.219 -7.160 10.820 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -6.015 -7.990 12.587 1.00 0.00 N ATOM 0 H ARG A 109 -2.091 -3.508 9.077 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.171 -3.940 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.068 -6.115 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.320 -6.170 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.843 -7.396 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.799 -5.801 9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.294 -5.633 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.327 -7.241 8.683 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.024 -7.399 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.251 -6.724 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.086 -7.370 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.119 -8.196 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.885 -8.197 13.077 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.523 -3.492 7.389 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.764 -2.882 7.906 1.00 0.00 C ATOM 1679 C ILE A 110 -7.294 -3.698 9.119 1.00 0.00 C ATOM 1680 O ILE A 110 -7.771 -4.829 8.967 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.858 -2.755 6.771 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.287 -1.988 5.516 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.148 -2.069 7.300 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.845 -0.542 5.770 1.00 0.00 C ATOM 0 H ILE A 110 -5.610 -3.860 6.442 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.538 -1.871 8.245 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.124 -3.765 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.436 -2.547 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.049 -1.985 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.879 -1.998 6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.565 -2.658 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.907 -1.069 7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.469 -0.108 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.695 0.041 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.056 -0.529 6.522 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.139 -3.112 10.315 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.476 -3.747 11.586 1.00 0.00 C ATOM 1698 C GLY A 111 -7.425 -2.715 12.673 1.00 0.00 C ATOM 1699 O GLY A 111 -6.475 -1.939 12.676 1.00 0.00 O ATOM 0 H GLY A 111 -6.769 -2.167 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.470 -4.191 11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.777 -4.555 11.801 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.390 -2.671 13.633 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.466 -1.566 14.590 1.00 0.00 C ATOM 1705 C PRO A 112 -7.293 -1.626 15.592 1.00 0.00 C ATOM 1706 O PRO A 112 -7.131 -2.603 16.339 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.851 -1.739 15.237 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.110 -3.213 15.174 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.425 -3.708 13.904 1.00 0.00 C ATOM 0 HA PRO A 112 -8.370 -0.579 14.137 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.857 -1.378 16.266 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.614 -1.178 14.698 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.711 -3.717 16.054 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.180 -3.420 15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.978 -4.692 14.048 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.130 -3.796 13.077 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.454 -0.580 15.539 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.215 -0.473 16.321 1.00 0.00 C ATOM 1719 C LYS A 113 -5.505 -0.394 17.842 1.00 0.00 C ATOM 1720 O LYS A 113 -4.642 -0.691 18.675 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.403 0.764 15.845 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.092 2.152 16.078 1.00 0.00 C ATOM 1723 CD LYS A 113 -5.055 3.076 14.834 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.634 3.319 14.300 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.628 4.158 13.066 1.00 0.00 N ATOM 0 H LYS A 113 -6.622 0.229 14.941 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.624 -1.374 16.155 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.441 0.765 16.357 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.197 0.654 14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.130 1.989 16.370 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.602 2.657 16.911 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.662 2.635 14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.509 4.034 15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.037 3.806 15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.159 2.361 14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.833 4.828 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.524 3.547 12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.522 4.685 13.000 1.00 0.00 H new ATOM 1739 N GLU A 114 -6.710 0.071 18.171 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.233 0.122 19.544 1.00 0.00 C ATOM 1741 C GLU A 114 -7.528 -1.294 20.094 1.00 0.00 C ATOM 1742 O GLU A 114 -7.365 -1.546 21.292 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.526 0.997 19.597 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.649 0.612 18.576 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.684 1.494 17.301 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.769 1.389 16.455 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.628 2.304 17.148 1.00 0.00 O ATOM 0 H GLU A 114 -7.367 0.431 17.479 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.466 0.573 20.174 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.940 0.939 20.604 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.246 2.037 19.426 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.513 -0.428 18.280 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.616 0.678 19.075 1.00 0.00 H new ATOM 1754 N ASP A 115 -7.934 -2.217 19.205 1.00 0.00 N ATOM 1755 CA ASP A 115 -8.491 -3.535 19.598 1.00 0.00 C ATOM 1756 C ASP A 115 -7.525 -4.707 19.284 1.00 0.00 C ATOM 1757 O ASP A 115 -7.830 -5.850 19.606 1.00 0.00 O ATOM 1758 CB ASP A 115 -9.864 -3.732 18.877 1.00 0.00 C ATOM 1759 CG ASP A 115 -10.712 -4.912 19.406 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.297 -4.774 20.501 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -10.796 -5.970 18.741 1.00 0.00 O ATOM 0 H ASP A 115 -7.888 -2.077 18.196 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.631 -3.543 20.679 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.444 -2.814 18.974 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.681 -3.883 17.813 1.00 0.00 H new ATOM 1766 N PHE A 116 -6.346 -4.439 18.691 1.00 0.00 N ATOM 1767 CA PHE A 116 -5.448 -5.532 18.228 1.00 0.00 C ATOM 1768 C PHE A 116 -4.510 -6.024 19.357 1.00 0.00 C ATOM 1769 O PHE A 116 -4.362 -5.380 20.398 1.00 0.00 O ATOM 1770 CB PHE A 116 -4.612 -5.094 16.972 1.00 0.00 C ATOM 1771 CG PHE A 116 -3.229 -4.477 17.269 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -3.103 -3.148 17.637 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -2.063 -5.250 17.190 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -1.867 -2.601 17.918 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -0.830 -4.706 17.475 1.00 0.00 C ATOM 1776 CZ PHE A 116 -0.732 -3.378 17.838 1.00 0.00 C ATOM 0 H PHE A 116 -5.992 -3.498 18.520 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.089 -6.365 17.939 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -4.471 -5.964 16.331 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.197 -4.371 16.403 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.986 -2.530 17.705 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.132 -6.288 16.901 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.790 -1.562 18.201 1.00 0.00 H new ATOM 0 HE2 PHE A 116 0.058 -5.317 17.415 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.234 -2.948 18.059 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.880 -7.180 19.099 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.722 -7.685 19.844 1.00 0.00 C ATOM 1788 C PHE A 117 -1.916 -8.613 18.908 1.00 0.00 C ATOM 1789 O PHE A 117 -2.499 -9.460 18.214 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.146 -8.423 21.154 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.004 -9.688 20.966 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.388 -9.599 20.815 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.426 -10.963 20.959 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.160 -10.732 20.651 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.203 -12.092 20.791 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.570 -11.977 20.644 1.00 0.00 C ATOM 0 H PHE A 117 -4.171 -7.804 18.346 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.102 -6.847 20.161 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.244 -8.697 21.702 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.699 -7.722 21.780 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.863 -8.629 20.827 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.358 -11.065 21.087 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.229 -10.642 20.528 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.740 -13.067 20.775 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.177 -12.862 20.524 1.00 0.00 H new ATOM 1806 N HIS A 118 -0.588 -8.416 18.843 1.00 0.00 N ATOM 1807 CA HIS A 118 0.322 -9.341 18.138 1.00 0.00 C ATOM 1808 C HIS A 118 0.567 -10.571 19.033 1.00 0.00 C ATOM 1809 O HIS A 118 0.922 -10.423 20.208 1.00 0.00 O ATOM 1810 CB HIS A 118 1.665 -8.633 17.749 1.00 0.00 C ATOM 1811 CG HIS A 118 2.768 -9.587 17.320 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.814 -10.148 16.047 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.751 -10.135 18.086 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.804 -11.034 16.123 1.00 0.00 C ATOM 1815 NE2 HIS A 118 4.390 -11.051 17.319 1.00 0.00 N ATOM 0 H HIS A 118 -0.117 -7.620 19.272 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.139 -9.664 17.204 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.471 -7.930 16.938 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.015 -8.049 18.600 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.226 -9.931 15.243 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.979 -9.886 19.112 1.00 0.00 H new ATOM 0 HE1 HIS A 118 4.101 -11.671 15.303 1.00 0.00 H new ATOM 1823 N CYS A 119 0.363 -11.775 18.472 1.00 0.00 N ATOM 1824 CA CYS A 119 0.592 -13.038 19.195 1.00 0.00 C ATOM 1825 C CYS A 119 2.059 -13.471 19.118 1.00 0.00 C ATOM 1826 O CYS A 119 2.658 -13.472 18.035 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.292 -14.170 18.639 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.937 -14.294 19.380 1.00 0.00 S ATOM 0 H CYS A 119 0.038 -11.900 17.513 1.00 0.00 H new ATOM 0 HA CYS A 119 0.328 -12.853 20.236 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.405 -14.027 17.564 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.226 -15.118 18.782 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.341 -13.112 19.740 1.00 0.00 H new ATOM 1833 N LEU A 120 2.609 -13.859 20.279 1.00 0.00 N ATOM 1834 CA LEU A 120 3.861 -14.619 20.351 1.00 0.00 C ATOM 1835 C LEU A 120 3.569 -16.040 19.832 1.00 0.00 C ATOM 1836 O LEU A 120 4.240 -16.554 18.931 1.00 0.00 O ATOM 1837 CB LEU A 120 4.394 -14.658 21.818 1.00 0.00 C ATOM 1838 CG LEU A 120 4.528 -13.271 22.541 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.110 -13.425 23.968 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.359 -12.267 21.707 1.00 0.00 C ATOM 0 H LEU A 120 2.198 -13.654 21.190 1.00 0.00 H new ATOM 0 HA LEU A 120 4.633 -14.147 19.742 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.730 -15.290 22.408 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.372 -15.139 21.815 1.00 0.00 H new ATOM 0 HG LEU A 120 3.521 -12.864 22.636 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.188 -12.444 24.437 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.453 -14.060 24.562 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.099 -13.879 23.910 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.428 -11.320 22.242 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.360 -12.668 21.547 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.875 -12.105 20.744 1.00 0.00 H new ATOM 1852 N LYS A 121 2.498 -16.630 20.394 1.00 0.00 N ATOM 1853 CA LYS A 121 1.964 -17.935 19.992 1.00 0.00 C ATOM 1854 C LYS A 121 0.878 -17.741 18.914 1.00 0.00 C ATOM 1855 O LYS A 121 -0.295 -17.605 19.254 1.00 0.00 O ATOM 1856 CB LYS A 121 1.382 -18.684 21.231 1.00 0.00 C ATOM 1857 CG LYS A 121 2.405 -19.009 22.339 1.00 0.00 C ATOM 1858 CD LYS A 121 3.491 -20.005 21.881 1.00 0.00 C ATOM 1859 CE LYS A 121 2.926 -21.399 21.535 1.00 0.00 C ATOM 1860 NZ LYS A 121 3.990 -22.325 21.076 1.00 0.00 N ATOM 0 H LYS A 121 1.972 -16.200 21.155 1.00 0.00 H new ATOM 0 HA LYS A 121 2.769 -18.540 19.575 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.584 -18.078 21.661 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.928 -19.615 20.893 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.882 -18.086 22.668 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.881 -19.422 23.201 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.002 -19.600 21.008 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.237 -20.107 22.669 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.432 -21.819 22.411 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.168 -21.302 20.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.572 -23.251 20.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.445 -21.937 20.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.700 -22.438 21.827 1.00 0.00 H new ATOM 1874 N CYS A 122 1.344 -17.599 17.649 1.00 0.00 N ATOM 1875 CA CYS A 122 0.547 -17.593 16.375 1.00 0.00 C ATOM 1876 C CYS A 122 1.389 -16.906 15.279 1.00 0.00 C ATOM 1877 O CYS A 122 1.351 -17.316 14.114 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.853 -16.870 16.404 1.00 0.00 C ATOM 1879 SG CYS A 122 -2.177 -17.660 17.387 1.00 0.00 S ATOM 0 H CYS A 122 2.341 -17.478 17.469 1.00 0.00 H new ATOM 0 HA CYS A 122 0.328 -18.645 16.193 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.704 -15.860 16.786 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -1.206 -16.774 15.377 1.00 0.00 H new ATOM 0 HG CYS A 122 -1.794 -17.766 18.625 1.00 0.00 H new ATOM 1884 N ASN A 123 2.115 -15.825 15.688 1.00 0.00 N ATOM 1885 CA ASN A 123 2.830 -14.853 14.795 1.00 0.00 C ATOM 1886 C ASN A 123 1.839 -13.840 14.156 1.00 0.00 C ATOM 1887 O ASN A 123 2.161 -12.646 14.016 1.00 0.00 O ATOM 1888 CB ASN A 123 3.736 -15.546 13.717 1.00 0.00 C ATOM 1889 CG ASN A 123 4.556 -14.574 12.849 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.926 -13.478 13.278 1.00 0.00 O ATOM 1891 ND2 ASN A 123 4.865 -14.977 11.625 1.00 0.00 N ATOM 0 H ASN A 123 2.224 -15.596 16.676 1.00 0.00 H new ATOM 0 HA ASN A 123 3.513 -14.296 15.436 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.420 -16.228 14.221 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.105 -16.151 13.065 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.420 -14.377 11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.548 -15.888 11.293 1.00 0.00 H new ATOM 1898 N LEU A 124 0.637 -14.316 13.783 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.457 -13.460 13.297 1.00 0.00 C ATOM 1900 C LEU A 124 -0.946 -12.535 14.438 1.00 0.00 C ATOM 1901 O LEU A 124 -0.876 -12.898 15.624 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.622 -14.335 12.746 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.758 -13.584 11.969 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -2.209 -12.866 10.715 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -3.909 -14.547 11.588 1.00 0.00 C ATOM 0 H LEU A 124 0.398 -15.307 13.811 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.091 -12.836 12.482 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.197 -15.089 12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.075 -14.865 13.584 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.159 -12.824 12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.024 -12.356 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.456 -12.137 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.759 -13.598 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.681 -13.997 11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.522 -15.343 10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.336 -14.980 12.493 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.430 -11.342 14.070 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.817 -10.293 15.024 1.00 0.00 C ATOM 1919 C CYS A 125 -3.349 -10.148 14.999 1.00 0.00 C ATOM 1920 O CYS A 125 -3.916 -9.608 14.040 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.089 -8.969 14.647 1.00 0.00 C ATOM 1922 SG CYS A 125 0.297 -9.219 13.491 1.00 0.00 S ATOM 0 H CYS A 125 -1.565 -11.075 13.095 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.521 -10.551 16.041 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.807 -8.281 14.201 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.716 -8.495 15.555 1.00 0.00 H new ATOM 0 HG CYS A 125 1.278 -8.430 13.813 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.004 -10.645 16.057 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.469 -10.798 16.107 1.00 0.00 C ATOM 1929 C LEU A 126 -6.121 -9.564 16.739 1.00 0.00 C ATOM 1930 O LEU A 126 -5.436 -8.663 17.208 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.869 -12.074 16.915 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.257 -13.440 16.448 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.307 -13.594 14.921 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.826 -13.642 16.972 1.00 0.00 C ATOM 0 H LEU A 126 -3.533 -10.954 16.907 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.826 -10.904 15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.588 -11.916 17.956 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.955 -12.164 16.888 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.879 -14.222 16.883 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.874 -14.553 14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.343 -13.550 14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.740 -12.788 14.455 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.443 -14.601 16.624 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.187 -12.840 16.603 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.832 -13.628 18.062 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.454 -9.543 16.708 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.281 -8.559 17.424 1.00 0.00 C ATOM 1948 C ALA A 127 -8.766 -9.178 18.750 1.00 0.00 C ATOM 1949 O ALA A 127 -8.752 -10.408 18.900 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.468 -8.148 16.537 1.00 0.00 C ATOM 0 H ALA A 127 -8.003 -10.219 16.177 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.698 -7.666 17.650 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.082 -7.419 17.066 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.096 -7.707 15.613 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.069 -9.027 16.303 1.00 0.00 H new ATOM 1956 N MET A 128 -9.208 -8.334 19.702 1.00 0.00 N ATOM 1957 CA MET A 128 -9.841 -8.801 20.967 1.00 0.00 C ATOM 1958 C MET A 128 -11.220 -9.438 20.681 1.00 0.00 C ATOM 1959 O MET A 128 -11.836 -10.033 21.565 1.00 0.00 O ATOM 1960 CB MET A 128 -9.987 -7.635 21.985 1.00 0.00 C ATOM 1961 CG MET A 128 -8.659 -7.025 22.458 1.00 0.00 C ATOM 1962 SD MET A 128 -7.612 -8.203 23.343 1.00 0.00 S ATOM 1963 CE MET A 128 -6.110 -7.249 23.581 1.00 0.00 C ATOM 0 H MET A 128 -9.141 -7.319 19.625 1.00 0.00 H new ATOM 0 HA MET A 128 -9.190 -9.557 21.407 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.591 -6.849 21.532 1.00 0.00 H new ATOM 0 HB3 MET A 128 -10.535 -7.997 22.855 1.00 0.00 H new ATOM 0 HG2 MET A 128 -8.115 -6.641 21.595 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.868 -6.175 23.107 1.00 0.00 H new ATOM 0 HE1 MET A 128 -5.364 -7.865 24.083 1.00 0.00 H new ATOM 0 HE2 MET A 128 -5.725 -6.929 22.613 1.00 0.00 H new ATOM 0 HE3 MET A 128 -6.328 -6.373 24.192 1.00 0.00 H new