USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl -140:sc= -2.73! (180deg=-0.941) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.273 X(o=-3,f=-3) USER MOD Set 2.1: A 67 GLN : amide:sc= -0.0519 X(o=-0.26,f=-0.43) USER MOD Set 2.2: A 97 MET CE :methyl -161:sc= -0.204 (180deg=-0.474) USER MOD Set 3.1: A 26 CYS SG : rot 65:sc= 0.582 USER MOD Set 3.2: A 38 HIS : no HE2:sc= -0.318 K(o=0.26,f=-1!) USER MOD Set 4.1: A 34 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.056) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= 1.01 (180deg=0.698) USER MOD Single : A 21 ASN : amide:sc= -1.04 X(o=-1,f=-0.7) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0.58 (180deg=0.436) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.372 F(o=-1.1,f=-0.37) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 136:sc= -0.21 (180deg=-0.783) USER MOD Single : A 39 TYR OH : rot -130:sc= -1.59! USER MOD Single : A 40 THR OG1 : rot 60:sc= 1.06 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0522 (180deg=-0.305) USER MOD Single : A 46 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0.979 (180deg=0.838) USER MOD Single : A 51 LYS NZ :NH3+ -130:sc= 1.48 (180deg=0.218) USER MOD Single : A 53 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 54 SER OG : rot -130:sc= -1.02 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.796 F(o=-2.5!,f=-0.8) USER MOD Single : A 59 CYS SG : rot 152:sc= -0.193 USER MOD Single : A 60 TYR OH : rot 30:sc= 0.111 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0339) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -19:sc=-0.00808 USER MOD Single : A 76 CYS SG : rot 130:sc= -5.8! USER MOD Single : A 78 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.16) USER MOD Single : A 82 THR OG1 : rot -13:sc= 0.753 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= -0.108 (180deg=-0.82) USER MOD Single : A 87 TYR OH : rot 21:sc= 0.664 USER MOD Single : A 88 THR OG1 : rot 169:sc= 0.0555 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0.434 (180deg=0.354) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc=-0.00188 (180deg=-0.0991) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.447 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= -0.0952 USER MOD Single : A 108 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.021) USER MOD Single : A 109 LYS NZ :NH3+ -129:sc= 0.314 (180deg=-0.834) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -82:sc= 0.427 USER MOD Single : A 117 CYS SG : rot -50:sc= -5.54! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= 0.863 F(o=-0.47,f=0.86) USER MOD Single : A 127 CYS SG : rot 110:sc= -2.79! USER MOD Single : A 128 MET CE :methyl -160:sc= -0.0629 (180deg=-0.435) USER MOD Single : A 129 MET CE :methyl -157:sc= -0.11 (180deg=-0.635) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 11.511 18.413 -1.371 1.00 11.40 N ATOM 222 CA LEU A 15 10.302 19.173 -1.779 1.00 15.30 C ATOM 223 C LEU A 15 9.077 18.239 -1.802 1.00 41.41 C ATOM 224 O LEU A 15 7.954 18.634 -1.444 1.00 10.15 O ATOM 225 CB LEU A 15 10.497 19.852 -3.169 1.00 62.32 C ATOM 226 CG LEU A 15 11.660 20.912 -3.281 1.00 31.34 C ATOM 227 CD1 LEU A 15 13.055 20.255 -3.405 1.00 51.12 C ATOM 228 CD2 LEU A 15 11.408 21.910 -4.438 1.00 4.22 C ATOM 0 HA LEU A 15 10.135 19.964 -1.047 1.00 15.30 H new ATOM 0 HB2 LEU A 15 10.676 19.071 -3.908 1.00 62.32 H new ATOM 0 HB3 LEU A 15 9.562 20.342 -3.443 1.00 62.32 H new ATOM 0 HG LEU A 15 11.658 21.471 -2.345 1.00 31.34 H new ATOM 0 HD11 LEU A 15 13.817 21.031 -3.479 1.00 51.12 H new ATOM 0 HD12 LEU A 15 13.247 19.640 -2.526 1.00 51.12 H new ATOM 0 HD13 LEU A 15 13.085 19.631 -4.298 1.00 51.12 H new ATOM 0 HD21 LEU A 15 12.229 22.626 -4.486 1.00 4.22 H new ATOM 0 HD22 LEU A 15 11.345 21.366 -5.380 1.00 4.22 H new ATOM 0 HD23 LEU A 15 10.473 22.442 -4.263 1.00 4.22 H new ATOM 240 N ALA A 16 9.344 16.972 -2.156 1.00 53.44 N ATOM 241 CA ALA A 16 8.347 15.904 -2.176 1.00 73.04 C ATOM 242 C ALA A 16 7.770 15.615 -0.784 1.00 64.14 C ATOM 243 O ALA A 16 6.638 15.136 -0.670 1.00 71.52 O ATOM 244 CB ALA A 16 8.950 14.640 -2.788 1.00 44.31 C ATOM 0 H ALA A 16 10.274 16.662 -2.439 1.00 53.44 H new ATOM 0 HA ALA A 16 7.515 16.242 -2.794 1.00 73.04 H new ATOM 0 HB1 ALA A 16 8.201 13.848 -2.799 1.00 44.31 H new ATOM 0 HB2 ALA A 16 9.274 14.848 -3.808 1.00 44.31 H new ATOM 0 HB3 ALA A 16 9.806 14.321 -2.194 1.00 44.31 H new ATOM 250 N LEU A 17 8.540 15.930 0.280 1.00 20.34 N ATOM 251 CA LEU A 17 8.078 15.727 1.660 1.00 21.24 C ATOM 252 C LEU A 17 7.078 16.826 2.048 1.00 23.14 C ATOM 253 O LEU A 17 6.205 16.588 2.878 1.00 41.22 O ATOM 254 CB LEU A 17 9.289 15.587 2.656 1.00 4.20 C ATOM 255 CG LEU A 17 9.715 16.833 3.528 1.00 0.54 C ATOM 256 CD1 LEU A 17 8.899 16.944 4.841 1.00 42.23 C ATOM 257 CD2 LEU A 17 11.227 16.814 3.830 1.00 25.32 C ATOM 0 H LEU A 17 9.478 16.323 0.205 1.00 20.34 H new ATOM 0 HA LEU A 17 7.542 14.780 1.727 1.00 21.24 H new ATOM 0 HB2 LEU A 17 9.059 14.770 3.340 1.00 4.20 H new ATOM 0 HB3 LEU A 17 10.159 15.280 2.075 1.00 4.20 H new ATOM 0 HG LEU A 17 9.491 17.718 2.932 1.00 0.54 H new ATOM 0 HD11 LEU A 17 9.231 17.817 5.403 1.00 42.23 H new ATOM 0 HD12 LEU A 17 7.840 17.047 4.604 1.00 42.23 H new ATOM 0 HD13 LEU A 17 9.051 16.047 5.441 1.00 42.23 H new ATOM 0 HD21 LEU A 17 11.489 17.684 4.432 1.00 25.32 H new ATOM 0 HD22 LEU A 17 11.477 15.906 4.378 1.00 25.32 H new ATOM 0 HD23 LEU A 17 11.785 16.839 2.894 1.00 25.32 H new ATOM 269 N MET A 18 7.176 18.005 1.396 1.00 35.05 N ATOM 270 CA MET A 18 6.332 19.174 1.731 1.00 1.24 C ATOM 271 C MET A 18 4.874 18.904 1.292 1.00 1.11 C ATOM 272 O MET A 18 3.914 19.181 2.029 1.00 74.24 O ATOM 273 CB MET A 18 6.886 20.463 1.050 1.00 71.44 C ATOM 274 CG MET A 18 8.401 20.682 1.236 1.00 11.10 C ATOM 275 SD MET A 18 8.912 20.794 2.964 1.00 61.45 S ATOM 276 CE MET A 18 10.694 20.959 2.787 1.00 65.52 C ATOM 0 H MET A 18 7.832 18.173 0.633 1.00 35.05 H new ATOM 0 HA MET A 18 6.352 19.331 2.809 1.00 1.24 H new ATOM 0 HB2 MET A 18 6.666 20.419 -0.017 1.00 71.44 H new ATOM 0 HB3 MET A 18 6.355 21.327 1.449 1.00 71.44 H new ATOM 0 HG2 MET A 18 8.939 19.862 0.760 1.00 11.10 H new ATOM 0 HG3 MET A 18 8.693 21.597 0.720 1.00 11.10 H new ATOM 0 HE1 MET A 18 11.152 21.039 3.773 1.00 65.52 H new ATOM 0 HE2 MET A 18 11.091 20.084 2.272 1.00 65.52 H new ATOM 0 HE3 MET A 18 10.921 21.854 2.208 1.00 65.52 H new ATOM 286 N VAL A 19 4.738 18.320 0.090 1.00 1.33 N ATOM 287 CA VAL A 19 3.432 18.000 -0.522 1.00 22.43 C ATOM 288 C VAL A 19 2.807 16.725 0.095 1.00 23.14 C ATOM 289 O VAL A 19 1.586 16.628 0.220 1.00 70.43 O ATOM 290 CB VAL A 19 3.571 17.842 -2.081 1.00 42.20 C ATOM 291 CG1 VAL A 19 4.523 16.687 -2.442 1.00 72.51 C ATOM 292 CG2 VAL A 19 2.195 17.671 -2.773 1.00 54.31 C ATOM 0 H VAL A 19 5.534 18.054 -0.490 1.00 1.33 H new ATOM 0 HA VAL A 19 2.762 18.834 -0.312 1.00 22.43 H new ATOM 0 HB VAL A 19 4.007 18.767 -2.458 1.00 42.20 H new ATOM 0 HG11 VAL A 19 4.598 16.603 -3.526 1.00 72.51 H new ATOM 0 HG12 VAL A 19 5.510 16.885 -2.024 1.00 72.51 H new ATOM 0 HG13 VAL A 19 4.135 15.754 -2.032 1.00 72.51 H new ATOM 0 HG21 VAL A 19 2.339 17.565 -3.848 1.00 54.31 H new ATOM 0 HG22 VAL A 19 1.700 16.781 -2.384 1.00 54.31 H new ATOM 0 HG23 VAL A 19 1.576 18.546 -2.574 1.00 54.31 H new ATOM 302 N LYS A 20 3.641 15.746 0.503 1.00 41.14 N ATOM 303 CA LYS A 20 3.126 14.481 1.081 1.00 24.31 C ATOM 304 C LYS A 20 2.508 14.720 2.468 1.00 44.41 C ATOM 305 O LYS A 20 1.710 13.913 2.930 1.00 21.04 O ATOM 306 CB LYS A 20 4.212 13.372 1.133 1.00 44.45 C ATOM 307 CG LYS A 20 5.253 13.470 2.272 1.00 51.22 C ATOM 308 CD LYS A 20 6.309 12.332 2.212 1.00 43.22 C ATOM 309 CE LYS A 20 7.094 12.334 0.895 1.00 43.41 C ATOM 310 NZ LYS A 20 8.066 11.234 0.812 1.00 35.21 N ATOM 0 H LYS A 20 4.658 15.802 0.446 1.00 41.14 H new ATOM 0 HA LYS A 20 2.341 14.122 0.416 1.00 24.31 H new ATOM 0 HB2 LYS A 20 3.710 12.408 1.214 1.00 44.45 H new ATOM 0 HB3 LYS A 20 4.746 13.375 0.183 1.00 44.45 H new ATOM 0 HG2 LYS A 20 5.759 14.434 2.216 1.00 51.22 H new ATOM 0 HG3 LYS A 20 4.740 13.435 3.233 1.00 51.22 H new ATOM 0 HD2 LYS A 20 7.003 12.439 3.046 1.00 43.22 H new ATOM 0 HD3 LYS A 20 5.811 11.370 2.334 1.00 43.22 H new ATOM 0 HE2 LYS A 20 6.396 12.261 0.061 1.00 43.41 H new ATOM 0 HE3 LYS A 20 7.617 13.284 0.790 1.00 43.41 H new ATOM 0 HZ1 LYS A 20 8.306 11.057 -0.184 1.00 35.21 H new ATOM 0 HZ2 LYS A 20 8.927 11.492 1.335 1.00 35.21 H new ATOM 0 HZ3 LYS A 20 7.654 10.374 1.227 1.00 35.21 H new ATOM 324 N ASN A 21 2.899 15.843 3.111 1.00 73.01 N ATOM 325 CA ASN A 21 2.340 16.277 4.405 1.00 22.15 C ATOM 326 C ASN A 21 0.873 16.720 4.258 1.00 15.12 C ATOM 327 O ASN A 21 0.013 16.270 5.026 1.00 70.03 O ATOM 328 CB ASN A 21 3.187 17.430 5.014 1.00 73.02 C ATOM 329 CG ASN A 21 4.607 17.013 5.387 1.00 4.21 C ATOM 330 OD1 ASN A 21 4.870 15.854 5.709 1.00 21.31 O ATOM 331 ND2 ASN A 21 5.534 17.959 5.369 1.00 13.32 N ATOM 0 H ASN A 21 3.612 16.473 2.744 1.00 73.01 H new ATOM 0 HA ASN A 21 2.374 15.422 5.081 1.00 22.15 H new ATOM 0 HB2 ASN A 21 3.234 18.252 4.299 1.00 73.02 H new ATOM 0 HB3 ASN A 21 2.683 17.809 5.903 1.00 73.02 H new ATOM 0 HD21 ASN A 21 6.495 17.736 5.626 1.00 13.32 H new ATOM 0 HD22 ASN A 21 5.286 18.911 5.098 1.00 13.32 H new ATOM 338 N LYS A 22 0.587 17.594 3.266 1.00 71.44 N ATOM 339 CA LYS A 22 -0.788 18.090 3.028 1.00 73.42 C ATOM 340 C LYS A 22 -1.702 16.953 2.516 1.00 61.33 C ATOM 341 O LYS A 22 -2.888 16.916 2.841 1.00 40.13 O ATOM 342 CB LYS A 22 -0.812 19.365 2.107 1.00 31.45 C ATOM 343 CG LYS A 22 -0.074 19.281 0.738 1.00 42.11 C ATOM 344 CD LYS A 22 -0.831 18.484 -0.361 1.00 53.33 C ATOM 345 CE LYS A 22 -2.140 19.149 -0.805 1.00 45.13 C ATOM 346 NZ LYS A 22 -1.900 20.389 -1.587 1.00 55.11 N ATOM 0 H LYS A 22 1.284 17.968 2.622 1.00 71.44 H new ATOM 0 HA LYS A 22 -1.195 18.419 3.984 1.00 73.42 H new ATOM 0 HB2 LYS A 22 -1.854 19.618 1.912 1.00 31.45 H new ATOM 0 HB3 LYS A 22 -0.382 20.194 2.670 1.00 31.45 H new ATOM 0 HG2 LYS A 22 0.106 20.293 0.375 1.00 42.11 H new ATOM 0 HG3 LYS A 22 0.902 18.821 0.894 1.00 42.11 H new ATOM 0 HD2 LYS A 22 -0.180 18.367 -1.227 1.00 53.33 H new ATOM 0 HD3 LYS A 22 -1.049 17.483 0.012 1.00 53.33 H new ATOM 0 HE2 LYS A 22 -2.717 18.447 -1.407 1.00 45.13 H new ATOM 0 HE3 LYS A 22 -2.742 19.385 0.073 1.00 45.13 H new ATOM 0 HZ1 LYS A 22 -2.778 20.945 -1.634 1.00 55.11 H new ATOM 0 HZ2 LYS A 22 -1.158 20.952 -1.125 1.00 55.11 H new ATOM 0 HZ3 LYS A 22 -1.596 20.139 -2.550 1.00 55.11 H new ATOM 360 N GLY A 23 -1.121 16.016 1.733 1.00 63.21 N ATOM 361 CA GLY A 23 -1.850 14.826 1.271 1.00 71.21 C ATOM 362 C GLY A 23 -2.210 13.898 2.423 1.00 23.04 C ATOM 363 O GLY A 23 -3.347 13.404 2.512 1.00 0.30 O ATOM 0 H GLY A 23 -0.154 16.065 1.412 1.00 63.21 H new ATOM 0 HA2 GLY A 23 -2.760 15.135 0.756 1.00 71.21 H new ATOM 0 HA3 GLY A 23 -1.241 14.286 0.546 1.00 71.21 H new ATOM 367 N ASN A 24 -1.215 13.686 3.308 1.00 32.30 N ATOM 368 CA ASN A 24 -1.338 12.860 4.525 1.00 42.24 C ATOM 369 C ASN A 24 -2.433 13.389 5.451 1.00 14.30 C ATOM 370 O ASN A 24 -3.228 12.607 6.003 1.00 51.43 O ATOM 371 CB ASN A 24 0.028 12.788 5.256 1.00 53.23 C ATOM 372 CG ASN A 24 -0.014 12.071 6.611 1.00 10.52 C ATOM 373 OD1 ASN A 24 0.010 10.846 6.676 1.00 54.31 O ATOM 374 ND2 ASN A 24 -0.042 12.826 7.700 1.00 30.04 N ATOM 0 H ASN A 24 -0.286 14.092 3.194 1.00 32.30 H new ATOM 0 HA ASN A 24 -1.629 11.852 4.229 1.00 42.24 H new ATOM 0 HB2 ASN A 24 0.744 12.279 4.612 1.00 53.23 H new ATOM 0 HB3 ASN A 24 0.399 13.802 5.407 1.00 53.23 H new ATOM 0 HD21 ASN A 24 -0.044 12.391 8.622 1.00 30.04 H new ATOM 0 HD22 ASN A 24 -0.062 13.842 7.616 1.00 30.04 H new ATOM 381 N GLU A 25 -2.488 14.722 5.614 1.00 10.32 N ATOM 382 CA GLU A 25 -3.496 15.339 6.473 1.00 44.11 C ATOM 383 C GLU A 25 -4.871 15.293 5.798 1.00 5.42 C ATOM 384 O GLU A 25 -5.842 15.024 6.476 1.00 24.41 O ATOM 385 CB GLU A 25 -3.119 16.780 6.904 1.00 62.31 C ATOM 386 CG GLU A 25 -3.347 17.880 5.858 1.00 53.51 C ATOM 387 CD GLU A 25 -2.928 19.272 6.344 1.00 12.23 C ATOM 388 OE1 GLU A 25 -1.722 19.566 6.354 1.00 31.34 O ATOM 389 OE2 GLU A 25 -3.802 20.072 6.724 1.00 51.53 O ATOM 0 H GLU A 25 -1.851 15.381 5.165 1.00 10.32 H new ATOM 0 HA GLU A 25 -3.540 14.755 7.392 1.00 44.11 H new ATOM 0 HB2 GLU A 25 -3.691 17.032 7.797 1.00 62.31 H new ATOM 0 HB3 GLU A 25 -2.066 16.789 7.187 1.00 62.31 H new ATOM 0 HG2 GLU A 25 -2.789 17.635 4.955 1.00 53.51 H new ATOM 0 HG3 GLU A 25 -4.402 17.900 5.585 1.00 53.51 H new ATOM 396 N CYS A 26 -4.939 15.489 4.455 1.00 61.44 N ATOM 397 CA CYS A 26 -6.226 15.439 3.707 1.00 22.02 C ATOM 398 C CYS A 26 -7.001 14.135 3.990 1.00 52.32 C ATOM 399 O CYS A 26 -8.210 14.164 4.276 1.00 41.35 O ATOM 400 CB CYS A 26 -5.994 15.624 2.200 1.00 31.43 C ATOM 401 SG CYS A 26 -5.462 17.292 1.751 1.00 51.30 S ATOM 0 H CYS A 26 -4.125 15.682 3.871 1.00 61.44 H new ATOM 0 HA CYS A 26 -6.840 16.267 4.061 1.00 22.02 H new ATOM 0 HB2 CYS A 26 -5.242 14.909 1.866 1.00 31.43 H new ATOM 0 HB3 CYS A 26 -6.916 15.389 1.667 1.00 31.43 H new ATOM 0 HG CYS A 26 -4.290 17.526 2.262 1.00 51.30 H new ATOM 407 N PHE A 27 -6.260 13.015 4.005 1.00 21.45 N ATOM 408 CA PHE A 27 -6.810 11.689 4.330 1.00 52.41 C ATOM 409 C PHE A 27 -7.404 11.684 5.764 1.00 42.42 C ATOM 410 O PHE A 27 -8.533 11.215 5.983 1.00 53.15 O ATOM 411 CB PHE A 27 -5.693 10.620 4.148 1.00 55.30 C ATOM 412 CG PHE A 27 -6.162 9.160 4.041 1.00 1.10 C ATOM 413 CD1 PHE A 27 -7.257 8.804 3.251 1.00 52.52 C ATOM 414 CD2 PHE A 27 -5.490 8.144 4.712 1.00 3.30 C ATOM 415 CE1 PHE A 27 -7.662 7.484 3.143 1.00 22.01 C ATOM 416 CE2 PHE A 27 -5.891 6.822 4.602 1.00 24.43 C ATOM 417 CZ PHE A 27 -6.979 6.493 3.817 1.00 1.22 C ATOM 0 H PHE A 27 -5.263 13.003 3.792 1.00 21.45 H new ATOM 0 HA PHE A 27 -7.629 11.445 3.653 1.00 52.41 H new ATOM 0 HB2 PHE A 27 -5.128 10.865 3.249 1.00 55.30 H new ATOM 0 HB3 PHE A 27 -5.004 10.698 4.989 1.00 55.30 H new ATOM 0 HD1 PHE A 27 -7.797 9.571 2.715 1.00 52.52 H new ATOM 0 HD2 PHE A 27 -4.640 8.390 5.331 1.00 3.30 H new ATOM 0 HE1 PHE A 27 -8.514 7.230 2.530 1.00 22.01 H new ATOM 0 HE2 PHE A 27 -5.353 6.049 5.130 1.00 24.43 H new ATOM 0 HZ PHE A 27 -7.294 5.463 3.731 1.00 1.22 H new ATOM 427 N GLN A 28 -6.663 12.305 6.716 1.00 4.12 N ATOM 428 CA GLN A 28 -7.077 12.399 8.139 1.00 0.34 C ATOM 429 C GLN A 28 -8.262 13.372 8.322 1.00 3.43 C ATOM 430 O GLN A 28 -8.881 13.393 9.391 1.00 70.01 O ATOM 431 CB GLN A 28 -5.852 12.778 9.058 1.00 70.24 C ATOM 432 CG GLN A 28 -5.608 14.284 9.419 1.00 54.34 C ATOM 433 CD GLN A 28 -6.377 14.820 10.636 1.00 25.53 C ATOM 434 OE1 GLN A 28 -6.629 13.968 11.624 1.00 30.25 O flip ATOM 435 NE2 GLN A 28 -6.726 16.002 10.691 1.00 43.54 N flip ATOM 0 H GLN A 28 -5.767 12.752 6.521 1.00 4.12 H new ATOM 0 HA GLN A 28 -7.428 11.416 8.452 1.00 0.34 H new ATOM 0 HB2 GLN A 28 -5.961 12.229 9.993 1.00 70.24 H new ATOM 0 HB3 GLN A 28 -4.950 12.406 8.573 1.00 70.24 H new ATOM 0 HG2 GLN A 28 -4.542 14.426 9.597 1.00 54.34 H new ATOM 0 HG3 GLN A 28 -5.870 14.891 8.553 1.00 54.34 H new ATOM 0 HE21 GLN A 28 -6.518 16.632 9.916 1.00 43.54 H new ATOM 0 HE22 GLN A 28 -7.223 16.349 11.511 1.00 43.54 H new ATOM 444 N LYS A 29 -8.593 14.169 7.276 1.00 74.24 N ATOM 445 CA LYS A 29 -9.748 15.086 7.330 1.00 21.53 C ATOM 446 C LYS A 29 -11.041 14.323 6.979 1.00 23.51 C ATOM 447 O LYS A 29 -12.140 14.884 7.067 1.00 70.01 O ATOM 448 CB LYS A 29 -9.553 16.302 6.370 1.00 53.42 C ATOM 449 CG LYS A 29 -8.159 16.960 6.408 1.00 62.34 C ATOM 450 CD LYS A 29 -7.722 17.475 7.798 1.00 75.33 C ATOM 451 CE LYS A 29 -8.267 18.873 8.113 1.00 65.33 C ATOM 452 NZ LYS A 29 -7.895 19.315 9.486 1.00 65.21 N ATOM 0 H LYS A 29 -8.079 14.192 6.395 1.00 74.24 H new ATOM 0 HA LYS A 29 -9.828 15.476 8.345 1.00 21.53 H new ATOM 0 HB2 LYS A 29 -9.753 15.973 5.350 1.00 53.42 H new ATOM 0 HB3 LYS A 29 -10.299 17.058 6.613 1.00 53.42 H new ATOM 0 HG2 LYS A 29 -7.422 16.238 6.056 1.00 62.34 H new ATOM 0 HG3 LYS A 29 -8.148 17.795 5.707 1.00 62.34 H new ATOM 0 HD2 LYS A 29 -8.063 16.777 8.562 1.00 75.33 H new ATOM 0 HD3 LYS A 29 -6.633 17.495 7.847 1.00 75.33 H new ATOM 0 HE2 LYS A 29 -7.881 19.586 7.385 1.00 65.33 H new ATOM 0 HE3 LYS A 29 -9.352 18.871 8.013 1.00 65.33 H new ATOM 0 HZ1 LYS A 29 -8.281 20.264 9.662 1.00 65.21 H new ATOM 0 HZ2 LYS A 29 -8.284 18.648 10.183 1.00 65.21 H new ATOM 0 HZ3 LYS A 29 -6.859 19.341 9.573 1.00 65.21 H new ATOM 466 N GLY A 30 -10.891 13.037 6.565 1.00 73.54 N ATOM 467 CA GLY A 30 -12.028 12.174 6.237 1.00 35.42 C ATOM 468 C GLY A 30 -12.153 11.921 4.746 1.00 31.24 C ATOM 469 O GLY A 30 -12.989 11.114 4.326 1.00 24.01 O ATOM 0 H GLY A 30 -9.983 12.585 6.454 1.00 73.54 H new ATOM 0 HA2 GLY A 30 -11.919 11.222 6.756 1.00 35.42 H new ATOM 0 HA3 GLY A 30 -12.946 12.633 6.603 1.00 35.42 H new ATOM 473 N ASP A 31 -11.335 12.625 3.946 1.00 11.34 N ATOM 474 CA ASP A 31 -11.292 12.460 2.482 1.00 73.11 C ATOM 475 C ASP A 31 -10.634 11.116 2.125 1.00 33.24 C ATOM 476 O ASP A 31 -9.665 10.727 2.767 1.00 62.42 O ATOM 477 CB ASP A 31 -10.488 13.616 1.833 1.00 73.31 C ATOM 478 CG ASP A 31 -11.064 15.011 2.131 1.00 63.23 C ATOM 479 OD1 ASP A 31 -10.894 15.503 3.265 1.00 54.01 O ATOM 480 OD2 ASP A 31 -11.692 15.627 1.238 1.00 33.35 O ATOM 0 H ASP A 31 -10.683 13.327 4.297 1.00 11.34 H new ATOM 0 HA ASP A 31 -12.313 12.478 2.101 1.00 73.11 H new ATOM 0 HB2 ASP A 31 -9.458 13.574 2.187 1.00 73.31 H new ATOM 0 HB3 ASP A 31 -10.460 13.467 0.754 1.00 73.31 H new ATOM 485 N TYR A 32 -11.181 10.399 1.123 1.00 33.20 N ATOM 486 CA TYR A 32 -10.570 9.159 0.574 1.00 24.12 C ATOM 487 C TYR A 32 -10.235 9.368 -0.932 1.00 62.43 C ATOM 488 O TYR A 32 -9.051 9.289 -1.291 1.00 45.32 O ATOM 489 CB TYR A 32 -11.464 7.891 0.830 1.00 23.55 C ATOM 490 CG TYR A 32 -11.457 7.368 2.279 1.00 0.33 C ATOM 491 CD1 TYR A 32 -11.867 8.178 3.343 1.00 54.03 C ATOM 492 CD2 TYR A 32 -11.035 6.070 2.582 1.00 53.10 C ATOM 493 CE1 TYR A 32 -11.848 7.719 4.643 1.00 23.23 C ATOM 494 CE2 TYR A 32 -11.020 5.608 3.887 1.00 12.03 C ATOM 495 CZ TYR A 32 -11.424 6.439 4.912 1.00 13.21 C ATOM 496 OH TYR A 32 -11.403 5.990 6.213 1.00 24.32 O ATOM 0 H TYR A 32 -12.057 10.658 0.668 1.00 33.20 H new ATOM 0 HA TYR A 32 -9.639 8.962 1.105 1.00 24.12 H new ATOM 0 HB2 TYR A 32 -12.491 8.127 0.550 1.00 23.55 H new ATOM 0 HB3 TYR A 32 -11.130 7.091 0.170 1.00 23.55 H new ATOM 0 HD1 TYR A 32 -12.205 9.184 3.142 1.00 54.03 H new ATOM 0 HD2 TYR A 32 -10.715 5.416 1.784 1.00 53.10 H new ATOM 0 HE1 TYR A 32 -12.166 8.364 5.449 1.00 23.23 H new ATOM 0 HE2 TYR A 32 -10.693 4.601 4.102 1.00 12.03 H new ATOM 0 HH TYR A 32 -11.080 5.065 6.235 1.00 24.32 H new ATOM 506 N PRO A 33 -11.227 9.674 -1.860 1.00 40.41 N ATOM 507 CA PRO A 33 -10.894 9.993 -3.272 1.00 42.52 C ATOM 508 C PRO A 33 -10.094 11.303 -3.379 1.00 70.42 C ATOM 509 O PRO A 33 -9.020 11.326 -3.984 1.00 62.32 O ATOM 510 CB PRO A 33 -12.269 10.099 -3.983 1.00 34.33 C ATOM 511 CG PRO A 33 -13.229 9.426 -3.050 1.00 61.31 C ATOM 512 CD PRO A 33 -12.707 9.708 -1.662 1.00 22.50 C ATOM 0 HA PRO A 33 -10.258 9.234 -3.727 1.00 42.52 H new ATOM 0 HB2 PRO A 33 -12.547 11.139 -4.156 1.00 34.33 H new ATOM 0 HB3 PRO A 33 -12.251 9.608 -4.956 1.00 34.33 H new ATOM 0 HG2 PRO A 33 -14.239 9.817 -3.177 1.00 61.31 H new ATOM 0 HG3 PRO A 33 -13.276 8.354 -3.241 1.00 61.31 H new ATOM 0 HD2 PRO A 33 -13.045 10.675 -1.290 1.00 22.50 H new ATOM 0 HD3 PRO A 33 -13.038 8.958 -0.944 1.00 22.50 H new ATOM 520 N GLN A 34 -10.608 12.382 -2.730 1.00 25.04 N ATOM 521 CA GLN A 34 -9.926 13.695 -2.711 1.00 74.40 C ATOM 522 C GLN A 34 -8.512 13.558 -2.129 1.00 2.34 C ATOM 523 O GLN A 34 -7.553 14.090 -2.688 1.00 75.01 O ATOM 524 CB GLN A 34 -10.727 14.754 -1.907 1.00 71.12 C ATOM 525 CG GLN A 34 -12.138 15.055 -2.442 1.00 24.32 C ATOM 526 CD GLN A 34 -12.162 15.480 -3.910 1.00 55.11 C ATOM 527 OE1 GLN A 34 -12.046 16.663 -4.234 1.00 21.24 O ATOM 528 NE2 GLN A 34 -12.332 14.518 -4.806 1.00 61.33 N ATOM 0 H GLN A 34 -11.489 12.364 -2.216 1.00 25.04 H new ATOM 0 HA GLN A 34 -9.861 14.039 -3.743 1.00 74.40 H new ATOM 0 HB2 GLN A 34 -10.812 14.415 -0.875 1.00 71.12 H new ATOM 0 HB3 GLN A 34 -10.156 15.683 -1.891 1.00 71.12 H new ATOM 0 HG2 GLN A 34 -12.760 14.168 -2.320 1.00 24.32 H new ATOM 0 HG3 GLN A 34 -12.585 15.844 -1.837 1.00 24.32 H new ATOM 0 HE21 GLN A 34 -12.425 13.549 -4.502 1.00 61.33 H new ATOM 0 HE22 GLN A 34 -12.370 14.747 -5.799 1.00 61.33 H new ATOM 537 N ALA A 35 -8.400 12.778 -1.030 1.00 74.43 N ATOM 538 CA ALA A 35 -7.105 12.448 -0.403 1.00 32.00 C ATOM 539 C ALA A 35 -6.155 11.781 -1.405 1.00 44.00 C ATOM 540 O ALA A 35 -4.973 12.107 -1.436 1.00 42.43 O ATOM 541 CB ALA A 35 -7.307 11.530 0.798 1.00 21.44 C ATOM 0 H ALA A 35 -9.202 12.363 -0.557 1.00 74.43 H new ATOM 0 HA ALA A 35 -6.656 13.383 -0.069 1.00 32.00 H new ATOM 0 HB1 ALA A 35 -6.341 11.299 1.246 1.00 21.44 H new ATOM 0 HB2 ALA A 35 -7.938 12.028 1.534 1.00 21.44 H new ATOM 0 HB3 ALA A 35 -7.787 10.607 0.474 1.00 21.44 H new ATOM 547 N MET A 36 -6.718 10.912 -2.276 1.00 24.35 N ATOM 548 CA MET A 36 -5.946 10.129 -3.257 1.00 33.40 C ATOM 549 C MET A 36 -5.360 11.072 -4.324 1.00 43.34 C ATOM 550 O MET A 36 -4.258 10.852 -4.815 1.00 20.20 O ATOM 551 CB MET A 36 -6.870 9.056 -3.903 1.00 53.20 C ATOM 552 CG MET A 36 -6.244 8.207 -5.018 1.00 51.23 C ATOM 553 SD MET A 36 -7.458 7.132 -5.810 1.00 11.40 S ATOM 554 CE MET A 36 -8.623 8.311 -6.510 1.00 22.43 C ATOM 0 H MET A 36 -7.722 10.737 -2.315 1.00 24.35 H new ATOM 0 HA MET A 36 -5.120 9.620 -2.761 1.00 33.40 H new ATOM 0 HB2 MET A 36 -7.219 8.386 -3.117 1.00 53.20 H new ATOM 0 HB3 MET A 36 -7.749 9.559 -4.307 1.00 53.20 H new ATOM 0 HG2 MET A 36 -5.797 8.862 -5.766 1.00 51.23 H new ATOM 0 HG3 MET A 36 -5.438 7.601 -4.604 1.00 51.23 H new ATOM 0 HE1 MET A 36 -8.882 8.008 -7.524 1.00 22.43 H new ATOM 0 HE2 MET A 36 -9.524 8.339 -5.898 1.00 22.43 H new ATOM 0 HE3 MET A 36 -8.169 9.302 -6.532 1.00 22.43 H new ATOM 564 N LYS A 37 -6.111 12.152 -4.628 1.00 63.24 N ATOM 565 CA LYS A 37 -5.702 13.201 -5.589 1.00 31.42 C ATOM 566 C LYS A 37 -4.649 14.130 -4.963 1.00 72.52 C ATOM 567 O LYS A 37 -3.751 14.621 -5.652 1.00 65.51 O ATOM 568 CB LYS A 37 -6.937 14.019 -6.042 1.00 41.45 C ATOM 569 CG LYS A 37 -8.058 13.155 -6.639 1.00 53.52 C ATOM 570 CD LYS A 37 -9.262 13.986 -7.133 1.00 0.42 C ATOM 571 CE LYS A 37 -10.371 13.107 -7.732 1.00 31.35 C ATOM 572 NZ LYS A 37 -11.424 13.918 -8.400 1.00 34.40 N ATOM 0 H LYS A 37 -7.026 12.323 -4.210 1.00 63.24 H new ATOM 0 HA LYS A 37 -5.259 12.718 -6.460 1.00 31.42 H new ATOM 0 HB2 LYS A 37 -7.330 14.571 -5.189 1.00 41.45 H new ATOM 0 HB3 LYS A 37 -6.624 14.756 -6.782 1.00 41.45 H new ATOM 0 HG2 LYS A 37 -7.658 12.575 -7.471 1.00 53.52 H new ATOM 0 HG3 LYS A 37 -8.399 12.442 -5.888 1.00 53.52 H new ATOM 0 HD2 LYS A 37 -9.668 14.563 -6.302 1.00 0.42 H new ATOM 0 HD3 LYS A 37 -8.924 14.701 -7.883 1.00 0.42 H new ATOM 0 HE2 LYS A 37 -9.936 12.414 -8.452 1.00 31.35 H new ATOM 0 HE3 LYS A 37 -10.822 12.505 -6.943 1.00 31.35 H new ATOM 0 HZ1 LYS A 37 -12.153 13.287 -8.790 1.00 34.40 H new ATOM 0 HZ2 LYS A 37 -11.858 14.562 -7.708 1.00 34.40 H new ATOM 0 HZ3 LYS A 37 -10.999 14.473 -9.170 1.00 34.40 H new ATOM 586 N HIS A 38 -4.781 14.352 -3.644 1.00 62.25 N ATOM 587 CA HIS A 38 -3.784 15.090 -2.844 1.00 33.42 C ATOM 588 C HIS A 38 -2.497 14.252 -2.663 1.00 42.01 C ATOM 589 O HIS A 38 -1.428 14.796 -2.356 1.00 31.02 O ATOM 590 CB HIS A 38 -4.377 15.530 -1.480 1.00 5.33 C ATOM 591 CG HIS A 38 -5.472 16.572 -1.589 1.00 62.11 C ATOM 592 ND1 HIS A 38 -5.272 17.811 -2.156 1.00 63.40 N ATOM 593 CD2 HIS A 38 -6.773 16.559 -1.198 1.00 50.14 C ATOM 594 CE1 HIS A 38 -6.387 18.506 -2.106 1.00 64.25 C ATOM 595 NE2 HIS A 38 -7.311 17.770 -1.534 1.00 61.14 N ATOM 0 H HIS A 38 -5.581 14.026 -3.101 1.00 62.25 H new ATOM 0 HA HIS A 38 -3.515 15.996 -3.387 1.00 33.42 H new ATOM 0 HB2 HIS A 38 -4.774 14.653 -0.969 1.00 5.33 H new ATOM 0 HB3 HIS A 38 -3.574 15.926 -0.858 1.00 5.33 H new ATOM 0 HD1 HIS A 38 -4.392 18.140 -2.554 1.00 63.40 H new ATOM 0 HD2 HIS A 38 -7.287 15.743 -0.712 1.00 50.14 H new ATOM 0 HE1 HIS A 38 -6.520 19.513 -2.474 1.00 64.25 H new ATOM 604 N TYR A 39 -2.624 12.923 -2.830 1.00 23.14 N ATOM 605 CA TYR A 39 -1.472 12.013 -2.938 1.00 2.22 C ATOM 606 C TYR A 39 -0.945 11.956 -4.384 1.00 1.32 C ATOM 607 O TYR A 39 0.233 11.751 -4.579 1.00 62.30 O ATOM 608 CB TYR A 39 -1.824 10.585 -2.441 1.00 42.42 C ATOM 609 CG TYR A 39 -2.003 10.479 -0.919 1.00 3.54 C ATOM 610 CD1 TYR A 39 -0.981 10.877 -0.053 1.00 2.02 C ATOM 611 CD2 TYR A 39 -3.180 9.975 -0.349 1.00 64.04 C ATOM 612 CE1 TYR A 39 -1.129 10.773 1.316 1.00 62.35 C ATOM 613 CE2 TYR A 39 -3.324 9.872 1.022 1.00 51.11 C ATOM 614 CZ TYR A 39 -2.302 10.268 1.847 1.00 5.02 C ATOM 615 OH TYR A 39 -2.441 10.153 3.214 1.00 21.52 O ATOM 0 H TYR A 39 -3.526 12.452 -2.894 1.00 23.14 H new ATOM 0 HA TYR A 39 -0.687 12.412 -2.296 1.00 2.22 H new ATOM 0 HB2 TYR A 39 -2.743 10.258 -2.928 1.00 42.42 H new ATOM 0 HB3 TYR A 39 -1.037 9.899 -2.752 1.00 42.42 H new ATOM 0 HD1 TYR A 39 -0.062 11.272 -0.460 1.00 2.02 H new ATOM 0 HD2 TYR A 39 -3.989 9.662 -0.992 1.00 64.04 H new ATOM 0 HE1 TYR A 39 -0.330 11.086 1.971 1.00 62.35 H new ATOM 0 HE2 TYR A 39 -4.239 9.481 1.442 1.00 51.11 H new ATOM 0 HH TYR A 39 -2.752 9.251 3.436 1.00 21.52 H new ATOM 625 N THR A 40 -1.826 12.133 -5.388 1.00 64.05 N ATOM 626 CA THR A 40 -1.433 12.093 -6.820 1.00 71.43 C ATOM 627 C THR A 40 -0.525 13.296 -7.175 1.00 11.25 C ATOM 628 O THR A 40 0.458 13.146 -7.919 1.00 31.33 O ATOM 629 CB THR A 40 -2.693 12.045 -7.757 1.00 42.03 C ATOM 630 OG1 THR A 40 -3.443 10.843 -7.503 1.00 30.24 O ATOM 631 CG2 THR A 40 -2.335 12.093 -9.259 1.00 2.25 C ATOM 0 H THR A 40 -2.820 12.306 -5.238 1.00 64.05 H new ATOM 0 HA THR A 40 -0.864 11.178 -6.984 1.00 71.43 H new ATOM 0 HB THR A 40 -3.282 12.933 -7.528 1.00 42.03 H new ATOM 0 HG1 THR A 40 -3.734 10.830 -6.567 1.00 30.24 H new ATOM 0 HG21 THR A 40 -3.249 12.056 -9.852 1.00 2.25 H new ATOM 0 HG22 THR A 40 -1.798 13.017 -9.476 1.00 2.25 H new ATOM 0 HG23 THR A 40 -1.705 11.240 -9.510 1.00 2.25 H new ATOM 639 N GLU A 41 -0.843 14.480 -6.610 1.00 53.25 N ATOM 640 CA GLU A 41 0.009 15.679 -6.750 1.00 3.24 C ATOM 641 C GLU A 41 1.337 15.482 -5.983 1.00 30.35 C ATOM 642 O GLU A 41 2.369 16.045 -6.356 1.00 2.34 O ATOM 643 CB GLU A 41 -0.736 16.955 -6.274 1.00 12.22 C ATOM 644 CG GLU A 41 -1.084 16.983 -4.777 1.00 64.25 C ATOM 645 CD GLU A 41 -1.848 18.243 -4.348 1.00 42.11 C ATOM 646 OE1 GLU A 41 -1.242 19.333 -4.295 1.00 72.45 O ATOM 647 OE2 GLU A 41 -3.059 18.164 -4.069 1.00 20.02 O ATOM 0 H GLU A 41 -1.684 14.631 -6.053 1.00 53.25 H new ATOM 0 HA GLU A 41 0.242 15.817 -7.806 1.00 3.24 H new ATOM 0 HB2 GLU A 41 -0.121 17.824 -6.505 1.00 12.22 H new ATOM 0 HB3 GLU A 41 -1.657 17.055 -6.848 1.00 12.22 H new ATOM 0 HG2 GLU A 41 -1.683 16.105 -4.535 1.00 64.25 H new ATOM 0 HG3 GLU A 41 -0.164 16.911 -4.197 1.00 64.25 H new ATOM 654 N ALA A 42 1.299 14.652 -4.916 1.00 20.03 N ATOM 655 CA ALA A 42 2.507 14.242 -4.181 1.00 62.22 C ATOM 656 C ALA A 42 3.374 13.312 -5.048 1.00 74.25 C ATOM 657 O ALA A 42 4.589 13.466 -5.073 1.00 45.22 O ATOM 658 CB ALA A 42 2.145 13.590 -2.835 1.00 44.44 C ATOM 0 H ALA A 42 0.436 14.253 -4.546 1.00 20.03 H new ATOM 0 HA ALA A 42 3.093 15.134 -3.957 1.00 62.22 H new ATOM 0 HB1 ALA A 42 3.057 13.298 -2.315 1.00 44.44 H new ATOM 0 HB2 ALA A 42 1.591 14.302 -2.223 1.00 44.44 H new ATOM 0 HB3 ALA A 42 1.530 12.708 -3.012 1.00 44.44 H new ATOM 664 N ILE A 43 2.712 12.389 -5.798 1.00 54.13 N ATOM 665 CA ILE A 43 3.369 11.426 -6.726 1.00 1.20 C ATOM 666 C ILE A 43 4.197 12.168 -7.800 1.00 14.13 C ATOM 667 O ILE A 43 5.253 11.679 -8.219 1.00 74.05 O ATOM 668 CB ILE A 43 2.290 10.431 -7.391 1.00 53.13 C ATOM 669 CG1 ILE A 43 2.166 9.085 -6.597 1.00 33.01 C ATOM 670 CG2 ILE A 43 2.552 10.128 -8.898 1.00 24.05 C ATOM 671 CD1 ILE A 43 1.703 9.192 -5.164 1.00 22.44 C ATOM 0 H ILE A 43 1.697 12.292 -5.775 1.00 54.13 H new ATOM 0 HA ILE A 43 4.059 10.815 -6.144 1.00 1.20 H new ATOM 0 HB ILE A 43 1.346 10.973 -7.332 1.00 53.13 H new ATOM 0 HG12 ILE A 43 1.474 8.435 -7.132 1.00 33.01 H new ATOM 0 HG13 ILE A 43 3.138 8.592 -6.606 1.00 33.01 H new ATOM 0 HG21 ILE A 43 1.783 9.452 -9.272 1.00 24.05 H new ATOM 0 HG22 ILE A 43 2.525 11.058 -9.466 1.00 24.05 H new ATOM 0 HG23 ILE A 43 3.531 9.662 -9.011 1.00 24.05 H new ATOM 0 HD11 ILE A 43 1.657 8.197 -4.721 1.00 22.44 H new ATOM 0 HD12 ILE A 43 2.404 9.808 -4.600 1.00 22.44 H new ATOM 0 HD13 ILE A 43 0.714 9.648 -5.134 1.00 22.44 H new ATOM 683 N LYS A 44 3.712 13.360 -8.212 1.00 13.30 N ATOM 684 CA LYS A 44 4.411 14.223 -9.187 1.00 43.13 C ATOM 685 C LYS A 44 5.804 14.622 -8.658 1.00 1.43 C ATOM 686 O LYS A 44 6.806 14.542 -9.376 1.00 51.30 O ATOM 687 CB LYS A 44 3.569 15.489 -9.495 1.00 61.32 C ATOM 688 CG LYS A 44 2.167 15.202 -10.076 1.00 43.34 C ATOM 689 CD LYS A 44 2.217 14.418 -11.411 1.00 53.04 C ATOM 690 CE LYS A 44 0.832 14.277 -12.066 1.00 14.21 C ATOM 691 NZ LYS A 44 0.228 15.603 -12.360 1.00 34.35 N ATOM 0 H LYS A 44 2.829 13.749 -7.879 1.00 13.30 H new ATOM 0 HA LYS A 44 4.540 13.659 -10.111 1.00 43.13 H new ATOM 0 HB2 LYS A 44 3.457 16.067 -8.578 1.00 61.32 H new ATOM 0 HB3 LYS A 44 4.119 16.113 -10.199 1.00 61.32 H new ATOM 0 HG2 LYS A 44 1.587 14.634 -9.348 1.00 43.34 H new ATOM 0 HG3 LYS A 44 1.644 16.145 -10.234 1.00 43.34 H new ATOM 0 HD2 LYS A 44 2.891 14.925 -12.101 1.00 53.04 H new ATOM 0 HD3 LYS A 44 2.632 13.426 -11.231 1.00 53.04 H new ATOM 0 HE2 LYS A 44 0.922 13.705 -12.989 1.00 14.21 H new ATOM 0 HE3 LYS A 44 0.172 13.714 -11.406 1.00 14.21 H new ATOM 0 HZ1 LYS A 44 -0.579 15.482 -13.004 1.00 34.35 H new ATOM 0 HZ2 LYS A 44 -0.098 16.040 -11.474 1.00 34.35 H new ATOM 0 HZ3 LYS A 44 0.939 16.217 -12.808 1.00 34.35 H new ATOM 705 N ARG A 45 5.838 14.998 -7.376 1.00 51.15 N ATOM 706 CA ARG A 45 7.063 15.410 -6.674 1.00 33.42 C ATOM 707 C ARG A 45 7.947 14.198 -6.327 1.00 12.33 C ATOM 708 O ARG A 45 9.181 14.292 -6.360 1.00 54.22 O ATOM 709 CB ARG A 45 6.670 16.179 -5.389 1.00 12.24 C ATOM 710 CG ARG A 45 6.162 17.616 -5.627 1.00 23.21 C ATOM 711 CD ARG A 45 7.304 18.575 -6.003 1.00 34.14 C ATOM 712 NE ARG A 45 6.839 19.946 -6.249 1.00 22.40 N ATOM 713 CZ ARG A 45 7.638 20.995 -6.509 1.00 11.51 C ATOM 714 NH1 ARG A 45 8.965 20.849 -6.583 1.00 31.34 N ATOM 715 NH2 ARG A 45 7.103 22.190 -6.708 1.00 73.33 N ATOM 0 H ARG A 45 5.006 15.026 -6.787 1.00 51.15 H new ATOM 0 HA ARG A 45 7.645 16.058 -7.330 1.00 33.42 H new ATOM 0 HB2 ARG A 45 5.896 15.616 -4.868 1.00 12.24 H new ATOM 0 HB3 ARG A 45 7.535 16.219 -4.727 1.00 12.24 H new ATOM 0 HG2 ARG A 45 5.417 17.610 -6.422 1.00 23.21 H new ATOM 0 HG3 ARG A 45 5.665 17.979 -4.727 1.00 23.21 H new ATOM 0 HD2 ARG A 45 8.042 18.585 -5.201 1.00 34.14 H new ATOM 0 HD3 ARG A 45 7.807 18.201 -6.895 1.00 34.14 H new ATOM 0 HE ARG A 45 5.834 20.115 -6.220 1.00 22.40 H new ATOM 0 HH11 ARG A 45 9.386 19.931 -6.441 1.00 31.34 H new ATOM 0 HH12 ARG A 45 9.557 21.656 -6.781 1.00 31.34 H new ATOM 0 HH21 ARG A 45 6.091 22.310 -6.663 1.00 73.33 H new ATOM 0 HH22 ARG A 45 7.703 22.991 -6.906 1.00 73.33 H new ATOM 729 N ASN A 46 7.305 13.066 -5.975 1.00 22.24 N ATOM 730 CA ASN A 46 8.011 11.815 -5.616 1.00 24.34 C ATOM 731 C ASN A 46 7.599 10.618 -6.503 1.00 22.34 C ATOM 732 O ASN A 46 6.769 9.790 -6.120 1.00 52.14 O ATOM 733 CB ASN A 46 7.902 11.496 -4.084 1.00 4.14 C ATOM 734 CG ASN A 46 6.517 11.612 -3.416 1.00 71.42 C ATOM 735 OD1 ASN A 46 6.406 12.125 -2.303 1.00 10.11 O ATOM 736 ND2 ASN A 46 5.465 11.089 -4.022 1.00 54.04 N ATOM 0 H ASN A 46 6.289 12.991 -5.931 1.00 22.24 H new ATOM 0 HA ASN A 46 9.067 11.988 -5.824 1.00 24.34 H new ATOM 0 HB2 ASN A 46 8.263 10.480 -3.928 1.00 4.14 H new ATOM 0 HB3 ASN A 46 8.584 12.162 -3.555 1.00 4.14 H new ATOM 0 HD21 ASN A 46 4.552 11.109 -3.567 1.00 54.04 H new ATOM 0 HD22 ASN A 46 5.566 10.666 -4.945 1.00 54.04 H new ATOM 743 N PRO A 47 8.228 10.475 -7.719 1.00 4.10 N ATOM 744 CA PRO A 47 8.102 9.244 -8.543 1.00 21.34 C ATOM 745 C PRO A 47 8.957 8.075 -7.988 1.00 4.13 C ATOM 746 O PRO A 47 9.081 7.030 -8.627 1.00 11.42 O ATOM 747 CB PRO A 47 8.604 9.711 -9.932 1.00 14.34 C ATOM 748 CG PRO A 47 9.597 10.796 -9.635 1.00 51.42 C ATOM 749 CD PRO A 47 9.081 11.498 -8.397 1.00 34.44 C ATOM 0 HA PRO A 47 7.087 8.847 -8.559 1.00 21.34 H new ATOM 0 HB2 PRO A 47 9.066 8.891 -10.482 1.00 14.34 H new ATOM 0 HB3 PRO A 47 7.783 10.083 -10.545 1.00 14.34 H new ATOM 0 HG2 PRO A 47 10.590 10.381 -9.464 1.00 51.42 H new ATOM 0 HG3 PRO A 47 9.681 11.489 -10.472 1.00 51.42 H new ATOM 0 HD2 PRO A 47 9.899 11.823 -7.754 1.00 34.44 H new ATOM 0 HD3 PRO A 47 8.506 12.387 -8.655 1.00 34.44 H new ATOM 757 N LYS A 48 9.536 8.280 -6.794 1.00 11.43 N ATOM 758 CA LYS A 48 10.502 7.373 -6.152 1.00 43.23 C ATOM 759 C LYS A 48 10.002 6.865 -4.792 1.00 24.11 C ATOM 760 O LYS A 48 10.696 6.096 -4.127 1.00 72.45 O ATOM 761 CB LYS A 48 11.864 8.127 -6.026 1.00 31.52 C ATOM 762 CG LYS A 48 11.779 9.623 -5.583 1.00 72.04 C ATOM 763 CD LYS A 48 11.586 9.839 -4.064 1.00 33.52 C ATOM 764 CE LYS A 48 11.747 11.328 -3.656 1.00 52.21 C ATOM 765 NZ LYS A 48 11.568 11.549 -2.191 1.00 15.10 N ATOM 0 H LYS A 48 9.339 9.107 -6.231 1.00 11.43 H new ATOM 0 HA LYS A 48 10.629 6.482 -6.767 1.00 43.23 H new ATOM 0 HB2 LYS A 48 12.488 7.592 -5.311 1.00 31.52 H new ATOM 0 HB3 LYS A 48 12.372 8.082 -6.989 1.00 31.52 H new ATOM 0 HG2 LYS A 48 12.691 10.132 -5.895 1.00 72.04 H new ATOM 0 HG3 LYS A 48 10.952 10.097 -6.111 1.00 72.04 H new ATOM 0 HD2 LYS A 48 10.595 9.490 -3.772 1.00 33.52 H new ATOM 0 HD3 LYS A 48 12.311 9.235 -3.518 1.00 33.52 H new ATOM 0 HE2 LYS A 48 12.736 11.676 -3.953 1.00 52.21 H new ATOM 0 HE3 LYS A 48 11.020 11.930 -4.201 1.00 52.21 H new ATOM 0 HZ1 LYS A 48 11.449 12.565 -2.005 1.00 15.10 H new ATOM 0 HZ2 LYS A 48 10.725 11.036 -1.863 1.00 15.10 H new ATOM 0 HZ3 LYS A 48 12.405 11.200 -1.682 1.00 15.10 H new ATOM 779 N ASP A 49 8.795 7.300 -4.384 1.00 22.40 N ATOM 780 CA ASP A 49 8.215 6.933 -3.081 1.00 23.32 C ATOM 781 C ASP A 49 6.972 6.060 -3.278 1.00 41.22 C ATOM 782 O ASP A 49 5.853 6.565 -3.329 1.00 54.53 O ATOM 783 CB ASP A 49 7.890 8.203 -2.237 1.00 41.54 C ATOM 784 CG ASP A 49 9.124 8.842 -1.563 1.00 41.33 C ATOM 785 OD1 ASP A 49 10.005 8.107 -1.073 1.00 34.32 O ATOM 786 OD2 ASP A 49 9.187 10.077 -1.473 1.00 33.53 O ATOM 0 H ASP A 49 8.200 7.911 -4.944 1.00 22.40 H new ATOM 0 HA ASP A 49 8.952 6.352 -2.526 1.00 23.32 H new ATOM 0 HB2 ASP A 49 7.417 8.944 -2.882 1.00 41.54 H new ATOM 0 HB3 ASP A 49 7.164 7.939 -1.468 1.00 41.54 H new ATOM 791 N ALA A 50 7.206 4.740 -3.419 1.00 73.11 N ATOM 792 CA ALA A 50 6.142 3.715 -3.523 1.00 11.31 C ATOM 793 C ALA A 50 5.192 3.694 -2.312 1.00 62.31 C ATOM 794 O ALA A 50 4.059 3.232 -2.436 1.00 4.55 O ATOM 795 CB ALA A 50 6.755 2.326 -3.742 1.00 21.01 C ATOM 0 H ALA A 50 8.147 4.349 -3.465 1.00 73.11 H new ATOM 0 HA ALA A 50 5.536 3.990 -4.387 1.00 11.31 H new ATOM 0 HB1 ALA A 50 5.959 1.585 -3.816 1.00 21.01 H new ATOM 0 HB2 ALA A 50 7.338 2.327 -4.663 1.00 21.01 H new ATOM 0 HB3 ALA A 50 7.404 2.078 -2.902 1.00 21.01 H new ATOM 801 N LYS A 51 5.654 4.189 -1.143 1.00 72.14 N ATOM 802 CA LYS A 51 4.799 4.309 0.062 1.00 33.41 C ATOM 803 C LYS A 51 3.695 5.390 -0.134 1.00 73.23 C ATOM 804 O LYS A 51 2.641 5.328 0.499 1.00 44.24 O ATOM 805 CB LYS A 51 5.640 4.576 1.354 1.00 55.31 C ATOM 806 CG LYS A 51 6.293 5.978 1.489 1.00 4.32 C ATOM 807 CD LYS A 51 7.558 6.180 0.624 1.00 40.34 C ATOM 808 CE LYS A 51 8.744 5.290 1.031 1.00 73.31 C ATOM 809 NZ LYS A 51 9.988 5.622 0.272 1.00 63.22 N ATOM 0 H LYS A 51 6.612 4.512 -1.007 1.00 72.14 H new ATOM 0 HA LYS A 51 4.302 3.349 0.200 1.00 33.41 H new ATOM 0 HB2 LYS A 51 4.994 4.418 2.218 1.00 55.31 H new ATOM 0 HB3 LYS A 51 6.430 3.827 1.405 1.00 55.31 H new ATOM 0 HG2 LYS A 51 5.558 6.735 1.218 1.00 4.32 H new ATOM 0 HG3 LYS A 51 6.552 6.145 2.534 1.00 4.32 H new ATOM 0 HD2 LYS A 51 7.308 5.981 -0.418 1.00 40.34 H new ATOM 0 HD3 LYS A 51 7.864 7.225 0.684 1.00 40.34 H new ATOM 0 HE2 LYS A 51 8.931 5.404 2.099 1.00 73.31 H new ATOM 0 HE3 LYS A 51 8.486 4.245 0.862 1.00 73.31 H new ATOM 0 HZ1 LYS A 51 10.396 4.751 -0.123 1.00 63.22 H new ATOM 0 HZ2 LYS A 51 9.758 6.278 -0.501 1.00 63.22 H new ATOM 0 HZ3 LYS A 51 10.676 6.068 0.912 1.00 63.22 H new ATOM 823 N LEU A 52 3.952 6.364 -1.038 1.00 12.13 N ATOM 824 CA LEU A 52 2.955 7.389 -1.455 1.00 34.14 C ATOM 825 C LEU A 52 1.948 6.791 -2.456 1.00 65.24 C ATOM 826 O LEU A 52 0.747 7.093 -2.405 1.00 24.30 O ATOM 827 CB LEU A 52 3.667 8.645 -2.063 1.00 45.05 C ATOM 828 CG LEU A 52 4.011 9.795 -1.064 1.00 61.30 C ATOM 829 CD1 LEU A 52 2.722 10.416 -0.476 1.00 22.50 C ATOM 830 CD2 LEU A 52 4.975 9.320 0.053 1.00 64.35 C ATOM 0 H LEU A 52 4.855 6.465 -1.501 1.00 12.13 H new ATOM 0 HA LEU A 52 2.406 7.710 -0.570 1.00 34.14 H new ATOM 0 HB2 LEU A 52 4.591 8.318 -2.539 1.00 45.05 H new ATOM 0 HB3 LEU A 52 3.031 9.053 -2.848 1.00 45.05 H new ATOM 0 HG LEU A 52 4.534 10.572 -1.622 1.00 61.30 H new ATOM 0 HD11 LEU A 52 2.986 11.215 0.217 1.00 22.50 H new ATOM 0 HD12 LEU A 52 2.113 10.823 -1.283 1.00 22.50 H new ATOM 0 HD13 LEU A 52 2.157 9.649 0.053 1.00 22.50 H new ATOM 0 HD21 LEU A 52 5.189 10.150 0.726 1.00 64.35 H new ATOM 0 HD22 LEU A 52 4.511 8.508 0.613 1.00 64.35 H new ATOM 0 HD23 LEU A 52 5.904 8.967 -0.394 1.00 64.35 H new ATOM 842 N TYR A 53 2.468 5.965 -3.378 1.00 51.34 N ATOM 843 CA TYR A 53 1.645 5.183 -4.329 1.00 4.43 C ATOM 844 C TYR A 53 0.736 4.189 -3.577 1.00 75.22 C ATOM 845 O TYR A 53 -0.374 3.894 -4.017 1.00 32.05 O ATOM 846 CB TYR A 53 2.555 4.416 -5.311 1.00 13.10 C ATOM 847 CG TYR A 53 3.305 5.296 -6.324 1.00 44.12 C ATOM 848 CD1 TYR A 53 4.518 5.908 -6.006 1.00 5.31 C ATOM 849 CD2 TYR A 53 2.804 5.499 -7.605 1.00 10.34 C ATOM 850 CE1 TYR A 53 5.202 6.681 -6.926 1.00 32.54 C ATOM 851 CE2 TYR A 53 3.483 6.264 -8.523 1.00 24.45 C ATOM 852 CZ TYR A 53 4.675 6.858 -8.183 1.00 24.24 C ATOM 853 OH TYR A 53 5.349 7.614 -9.118 1.00 14.23 O ATOM 0 H TYR A 53 3.471 5.817 -3.489 1.00 51.34 H new ATOM 0 HA TYR A 53 1.016 5.877 -4.887 1.00 4.43 H new ATOM 0 HB2 TYR A 53 3.285 3.846 -4.737 1.00 13.10 H new ATOM 0 HB3 TYR A 53 1.948 3.695 -5.858 1.00 13.10 H new ATOM 0 HD1 TYR A 53 4.932 5.775 -5.018 1.00 5.31 H new ATOM 0 HD2 TYR A 53 1.864 5.047 -7.884 1.00 10.34 H new ATOM 0 HE1 TYR A 53 6.142 7.142 -6.659 1.00 32.54 H new ATOM 0 HE2 TYR A 53 3.078 6.399 -9.515 1.00 24.45 H new ATOM 0 HH TYR A 53 4.836 7.635 -9.953 1.00 14.23 H new ATOM 863 N SER A 54 1.241 3.702 -2.436 1.00 21.43 N ATOM 864 CA SER A 54 0.529 2.784 -1.537 1.00 61.31 C ATOM 865 C SER A 54 -0.616 3.476 -0.797 1.00 41.34 C ATOM 866 O SER A 54 -1.531 2.808 -0.334 1.00 44.44 O ATOM 867 CB SER A 54 1.510 2.193 -0.520 1.00 64.14 C ATOM 868 OG SER A 54 0.841 1.444 0.483 1.00 51.33 O ATOM 0 H SER A 54 2.176 3.940 -2.105 1.00 21.43 H new ATOM 0 HA SER A 54 0.098 1.992 -2.150 1.00 61.31 H new ATOM 0 HB2 SER A 54 2.226 1.553 -1.035 1.00 64.14 H new ATOM 0 HB3 SER A 54 2.079 2.997 -0.054 1.00 64.14 H new ATOM 0 HG SER A 54 1.150 1.732 1.367 1.00 51.33 H new ATOM 874 N ASN A 55 -0.536 4.805 -0.648 1.00 63.34 N ATOM 875 CA ASN A 55 -1.621 5.604 -0.047 1.00 71.41 C ATOM 876 C ASN A 55 -2.810 5.685 -1.021 1.00 52.00 C ATOM 877 O ASN A 55 -3.978 5.680 -0.608 1.00 0.11 O ATOM 878 CB ASN A 55 -1.114 7.012 0.311 1.00 51.14 C ATOM 879 CG ASN A 55 -0.011 7.017 1.369 1.00 55.24 C ATOM 880 OD1 ASN A 55 0.878 7.991 1.284 1.00 61.25 O flip ATOM 881 ND2 ASN A 55 0.037 6.162 2.256 1.00 12.35 N flip ATOM 0 H ASN A 55 0.273 5.355 -0.936 1.00 63.34 H new ATOM 0 HA ASN A 55 -1.953 5.120 0.871 1.00 71.41 H new ATOM 0 HB2 ASN A 55 -0.741 7.495 -0.592 1.00 51.14 H new ATOM 0 HB3 ASN A 55 -1.952 7.610 0.669 1.00 51.14 H new ATOM 0 HD21 ASN A 55 -0.666 5.424 2.292 1.00 12.35 H new ATOM 0 HD22 ASN A 55 0.780 6.193 2.954 1.00 12.35 H new ATOM 888 N ARG A 56 -2.478 5.748 -2.327 1.00 11.31 N ATOM 889 CA ARG A 56 -3.461 5.618 -3.414 1.00 33.02 C ATOM 890 C ARG A 56 -4.049 4.195 -3.413 1.00 11.53 C ATOM 891 O ARG A 56 -5.258 4.028 -3.499 1.00 61.03 O ATOM 892 CB ARG A 56 -2.803 5.921 -4.787 1.00 72.34 C ATOM 893 CG ARG A 56 -2.472 7.404 -5.067 1.00 43.45 C ATOM 894 CD ARG A 56 -1.675 7.582 -6.385 1.00 32.11 C ATOM 895 NE ARG A 56 -2.189 6.734 -7.491 1.00 51.35 N ATOM 896 CZ ARG A 56 -1.521 5.697 -8.048 1.00 70.34 C ATOM 897 NH1 ARG A 56 -0.308 5.377 -7.612 1.00 61.42 N ATOM 898 NH2 ARG A 56 -2.082 4.970 -9.001 1.00 12.12 N ATOM 0 H ARG A 56 -1.522 5.890 -2.654 1.00 11.31 H new ATOM 0 HA ARG A 56 -4.261 6.340 -3.251 1.00 33.02 H new ATOM 0 HB2 ARG A 56 -1.882 5.343 -4.861 1.00 72.34 H new ATOM 0 HB3 ARG A 56 -3.468 5.563 -5.573 1.00 72.34 H new ATOM 0 HG2 ARG A 56 -3.397 7.978 -5.122 1.00 43.45 H new ATOM 0 HG3 ARG A 56 -1.894 7.810 -4.236 1.00 43.45 H new ATOM 0 HD2 ARG A 56 -1.713 8.628 -6.688 1.00 32.11 H new ATOM 0 HD3 ARG A 56 -0.627 7.340 -6.206 1.00 32.11 H new ATOM 0 HE ARG A 56 -3.116 6.950 -7.859 1.00 51.35 H new ATOM 0 HH11 ARG A 56 0.120 5.913 -6.857 1.00 61.42 H new ATOM 0 HH12 ARG A 56 0.195 4.595 -8.032 1.00 61.42 H new ATOM 0 HH21 ARG A 56 -3.025 5.189 -9.321 1.00 12.12 H new ATOM 0 HH22 ARG A 56 -1.571 4.190 -9.415 1.00 12.12 H new ATOM 912 N ALA A 57 -3.159 3.183 -3.290 1.00 32.53 N ATOM 913 CA ALA A 57 -3.532 1.747 -3.297 1.00 52.50 C ATOM 914 C ALA A 57 -4.404 1.379 -2.083 1.00 51.31 C ATOM 915 O ALA A 57 -5.324 0.547 -2.183 1.00 72.40 O ATOM 916 CB ALA A 57 -2.263 0.880 -3.340 1.00 32.23 C ATOM 0 H ALA A 57 -2.157 3.339 -3.183 1.00 32.53 H new ATOM 0 HA ALA A 57 -4.127 1.555 -4.190 1.00 52.50 H new ATOM 0 HB1 ALA A 57 -2.542 -0.174 -3.345 1.00 32.23 H new ATOM 0 HB2 ALA A 57 -1.696 1.109 -4.242 1.00 32.23 H new ATOM 0 HB3 ALA A 57 -1.650 1.089 -2.463 1.00 32.23 H new ATOM 922 N ALA A 58 -4.116 2.038 -0.949 1.00 73.04 N ATOM 923 CA ALA A 58 -4.854 1.864 0.305 1.00 33.53 C ATOM 924 C ALA A 58 -6.267 2.432 0.164 1.00 51.24 C ATOM 925 O ALA A 58 -7.190 1.920 0.773 1.00 74.34 O ATOM 926 CB ALA A 58 -4.116 2.539 1.472 1.00 60.33 C ATOM 0 H ALA A 58 -3.355 2.713 -0.880 1.00 73.04 H new ATOM 0 HA ALA A 58 -4.923 0.798 0.521 1.00 33.53 H new ATOM 0 HB1 ALA A 58 -4.683 2.396 2.392 1.00 60.33 H new ATOM 0 HB2 ALA A 58 -3.127 2.095 1.583 1.00 60.33 H new ATOM 0 HB3 ALA A 58 -4.014 3.605 1.270 1.00 60.33 H new ATOM 932 N CYS A 59 -6.415 3.501 -0.648 1.00 13.10 N ATOM 933 CA CYS A 59 -7.732 4.079 -0.974 1.00 42.31 C ATOM 934 C CYS A 59 -8.481 3.180 -1.985 1.00 32.21 C ATOM 935 O CYS A 59 -9.667 2.880 -1.791 1.00 74.12 O ATOM 936 CB CYS A 59 -7.573 5.511 -1.538 1.00 24.11 C ATOM 937 SG CYS A 59 -9.131 6.329 -1.945 1.00 35.11 S ATOM 0 H CYS A 59 -5.632 3.982 -1.091 1.00 13.10 H new ATOM 0 HA CYS A 59 -8.320 4.134 -0.058 1.00 42.31 H new ATOM 0 HB2 CYS A 59 -7.037 6.118 -0.808 1.00 24.11 H new ATOM 0 HB3 CYS A 59 -6.954 5.469 -2.434 1.00 24.11 H new ATOM 0 HG CYS A 59 -8.989 7.616 -1.827 1.00 35.11 H new ATOM 943 N TYR A 60 -7.738 2.696 -3.022 1.00 34.42 N ATOM 944 CA TYR A 60 -8.293 1.904 -4.155 1.00 42.24 C ATOM 945 C TYR A 60 -9.088 0.683 -3.674 1.00 0.10 C ATOM 946 O TYR A 60 -10.116 0.350 -4.251 1.00 5.12 O ATOM 947 CB TYR A 60 -7.167 1.442 -5.137 1.00 31.21 C ATOM 948 CG TYR A 60 -6.596 2.545 -6.050 1.00 21.32 C ATOM 949 CD1 TYR A 60 -7.424 3.524 -6.605 1.00 44.10 C ATOM 950 CD2 TYR A 60 -5.232 2.600 -6.361 1.00 2.01 C ATOM 951 CE1 TYR A 60 -6.913 4.509 -7.430 1.00 4.40 C ATOM 952 CE2 TYR A 60 -4.721 3.586 -7.186 1.00 11.32 C ATOM 953 CZ TYR A 60 -5.565 4.541 -7.711 1.00 31.03 C ATOM 954 OH TYR A 60 -5.057 5.544 -8.515 1.00 71.44 O ATOM 0 H TYR A 60 -6.732 2.847 -3.093 1.00 34.42 H new ATOM 0 HA TYR A 60 -8.975 2.569 -4.685 1.00 42.24 H new ATOM 0 HB2 TYR A 60 -6.350 1.018 -4.553 1.00 31.21 H new ATOM 0 HB3 TYR A 60 -7.560 0.642 -5.764 1.00 31.21 H new ATOM 0 HD1 TYR A 60 -8.481 3.511 -6.386 1.00 44.10 H new ATOM 0 HD2 TYR A 60 -4.565 1.857 -5.948 1.00 2.01 H new ATOM 0 HE1 TYR A 60 -7.571 5.253 -7.854 1.00 4.40 H new ATOM 0 HE2 TYR A 60 -3.666 3.607 -7.417 1.00 11.32 H new ATOM 0 HH TYR A 60 -5.600 6.353 -8.410 1.00 71.44 H new ATOM 964 N THR A 61 -8.602 0.039 -2.609 1.00 4.34 N ATOM 965 CA THR A 61 -9.287 -1.104 -1.985 1.00 44.24 C ATOM 966 C THR A 61 -10.727 -0.725 -1.524 1.00 52.24 C ATOM 967 O THR A 61 -11.691 -1.444 -1.827 1.00 31.51 O ATOM 968 CB THR A 61 -8.452 -1.659 -0.790 1.00 32.34 C ATOM 969 OG1 THR A 61 -8.183 -0.611 0.147 1.00 61.45 O ATOM 970 CG2 THR A 61 -7.120 -2.279 -1.249 1.00 54.54 C ATOM 0 H THR A 61 -7.725 0.292 -2.154 1.00 4.34 H new ATOM 0 HA THR A 61 -9.378 -1.887 -2.737 1.00 44.24 H new ATOM 0 HB THR A 61 -9.045 -2.444 -0.321 1.00 32.34 H new ATOM 0 HG1 THR A 61 -7.660 -0.967 0.895 1.00 61.45 H new ATOM 0 HG21 THR A 61 -6.574 -2.651 -0.382 1.00 54.54 H new ATOM 0 HG22 THR A 61 -7.319 -3.103 -1.934 1.00 54.54 H new ATOM 0 HG23 THR A 61 -6.522 -1.522 -1.756 1.00 54.54 H new ATOM 978 N LYS A 62 -10.868 0.470 -0.890 1.00 35.52 N ATOM 979 CA LYS A 62 -12.184 0.974 -0.409 1.00 70.43 C ATOM 980 C LYS A 62 -13.101 1.248 -1.615 1.00 62.51 C ATOM 981 O LYS A 62 -14.304 0.989 -1.571 1.00 53.31 O ATOM 982 CB LYS A 62 -12.046 2.280 0.448 1.00 42.54 C ATOM 983 CG LYS A 62 -11.476 2.099 1.880 1.00 3.33 C ATOM 984 CD LYS A 62 -9.989 1.718 1.897 1.00 42.35 C ATOM 985 CE LYS A 62 -9.418 1.541 3.310 1.00 34.32 C ATOM 986 NZ LYS A 62 -10.081 0.442 4.053 1.00 25.34 N ATOM 0 H LYS A 62 -10.089 1.101 -0.700 1.00 35.52 H new ATOM 0 HA LYS A 62 -12.615 0.205 0.232 1.00 70.43 H new ATOM 0 HB2 LYS A 62 -11.405 2.978 -0.091 1.00 42.54 H new ATOM 0 HB3 LYS A 62 -13.029 2.745 0.526 1.00 42.54 H new ATOM 0 HG2 LYS A 62 -11.613 3.025 2.438 1.00 3.33 H new ATOM 0 HG3 LYS A 62 -12.048 1.328 2.397 1.00 3.33 H new ATOM 0 HD2 LYS A 62 -9.853 0.791 1.340 1.00 42.35 H new ATOM 0 HD3 LYS A 62 -9.419 2.488 1.377 1.00 42.35 H new ATOM 0 HE2 LYS A 62 -8.349 1.339 3.244 1.00 34.32 H new ATOM 0 HE3 LYS A 62 -9.533 2.472 3.865 1.00 34.32 H new ATOM 0 HZ1 LYS A 62 -9.595 0.294 4.961 1.00 25.34 H new ATOM 0 HZ2 LYS A 62 -11.075 0.692 4.229 1.00 25.34 H new ATOM 0 HZ3 LYS A 62 -10.038 -0.432 3.491 1.00 25.34 H new ATOM 1000 N LEU A 63 -12.483 1.732 -2.702 1.00 24.24 N ATOM 1001 CA LEU A 63 -13.173 2.091 -3.952 1.00 71.33 C ATOM 1002 C LEU A 63 -13.444 0.841 -4.826 1.00 64.12 C ATOM 1003 O LEU A 63 -13.942 0.984 -5.948 1.00 12.23 O ATOM 1004 CB LEU A 63 -12.307 3.129 -4.732 1.00 44.52 C ATOM 1005 CG LEU A 63 -11.798 4.367 -3.916 1.00 32.11 C ATOM 1006 CD1 LEU A 63 -10.935 5.295 -4.799 1.00 3.05 C ATOM 1007 CD2 LEU A 63 -12.962 5.136 -3.240 1.00 62.54 C ATOM 0 H LEU A 63 -11.476 1.888 -2.739 1.00 24.24 H new ATOM 0 HA LEU A 63 -14.140 2.530 -3.707 1.00 71.33 H new ATOM 0 HB2 LEU A 63 -11.440 2.611 -5.142 1.00 44.52 H new ATOM 0 HB3 LEU A 63 -12.890 3.494 -5.577 1.00 44.52 H new ATOM 0 HG LEU A 63 -11.165 3.991 -3.112 1.00 32.11 H new ATOM 0 HD11 LEU A 63 -10.595 6.146 -4.209 1.00 3.05 H new ATOM 0 HD12 LEU A 63 -10.072 4.743 -5.172 1.00 3.05 H new ATOM 0 HD13 LEU A 63 -11.529 5.652 -5.641 1.00 3.05 H new ATOM 0 HD21 LEU A 63 -12.563 5.986 -2.686 1.00 62.54 H new ATOM 0 HD22 LEU A 63 -13.654 5.493 -4.003 1.00 62.54 H new ATOM 0 HD23 LEU A 63 -13.488 4.471 -2.555 1.00 62.54 H new ATOM 1019 N LEU A 64 -13.082 -0.375 -4.304 1.00 5.11 N ATOM 1020 CA LEU A 64 -13.230 -1.675 -5.014 1.00 52.45 C ATOM 1021 C LEU A 64 -12.246 -1.810 -6.201 1.00 71.34 C ATOM 1022 O LEU A 64 -12.267 -2.819 -6.913 1.00 44.11 O ATOM 1023 CB LEU A 64 -14.713 -1.974 -5.447 1.00 42.14 C ATOM 1024 CG LEU A 64 -15.714 -2.404 -4.312 1.00 31.44 C ATOM 1025 CD1 LEU A 64 -15.204 -3.653 -3.556 1.00 34.03 C ATOM 1026 CD2 LEU A 64 -16.037 -1.247 -3.336 1.00 43.10 C ATOM 0 H LEU A 64 -12.678 -0.473 -3.373 1.00 5.11 H new ATOM 0 HA LEU A 64 -12.963 -2.442 -4.287 1.00 52.45 H new ATOM 0 HB2 LEU A 64 -15.111 -1.082 -5.930 1.00 42.14 H new ATOM 0 HB3 LEU A 64 -14.694 -2.763 -6.199 1.00 42.14 H new ATOM 0 HG LEU A 64 -16.650 -2.668 -4.804 1.00 31.44 H new ATOM 0 HD11 LEU A 64 -15.918 -3.924 -2.778 1.00 34.03 H new ATOM 0 HD12 LEU A 64 -15.096 -4.482 -4.255 1.00 34.03 H new ATOM 0 HD13 LEU A 64 -14.238 -3.434 -3.101 1.00 34.03 H new ATOM 0 HD21 LEU A 64 -16.732 -1.598 -2.573 1.00 43.10 H new ATOM 0 HD22 LEU A 64 -15.118 -0.905 -2.860 1.00 43.10 H new ATOM 0 HD23 LEU A 64 -16.489 -0.422 -3.887 1.00 43.10 H new ATOM 1038 N GLU A 65 -11.346 -0.824 -6.351 1.00 41.44 N ATOM 1039 CA GLU A 65 -10.300 -0.784 -7.384 1.00 43.45 C ATOM 1040 C GLU A 65 -9.038 -1.562 -6.933 1.00 44.40 C ATOM 1041 O GLU A 65 -7.904 -1.121 -7.178 1.00 24.15 O ATOM 1042 CB GLU A 65 -9.952 0.704 -7.669 1.00 4.01 C ATOM 1043 CG GLU A 65 -11.126 1.564 -8.173 1.00 70.53 C ATOM 1044 CD GLU A 65 -11.751 1.024 -9.471 1.00 62.40 C ATOM 1045 OE1 GLU A 65 -11.135 1.174 -10.543 1.00 53.13 O ATOM 1046 OE2 GLU A 65 -12.857 0.442 -9.426 1.00 4.03 O ATOM 0 H GLU A 65 -11.326 -0.009 -5.738 1.00 41.44 H new ATOM 0 HA GLU A 65 -10.666 -1.264 -8.292 1.00 43.45 H new ATOM 0 HB2 GLU A 65 -9.560 1.151 -6.755 1.00 4.01 H new ATOM 0 HB3 GLU A 65 -9.152 0.739 -8.409 1.00 4.01 H new ATOM 0 HG2 GLU A 65 -11.892 1.612 -7.400 1.00 70.53 H new ATOM 0 HG3 GLU A 65 -10.777 2.583 -8.340 1.00 70.53 H new ATOM 1053 N PHE A 66 -9.258 -2.748 -6.319 1.00 52.32 N ATOM 1054 CA PHE A 66 -8.183 -3.663 -5.874 1.00 34.44 C ATOM 1055 C PHE A 66 -7.210 -3.978 -7.033 1.00 0.22 C ATOM 1056 O PHE A 66 -6.013 -4.133 -6.808 1.00 10.44 O ATOM 1057 CB PHE A 66 -8.778 -4.988 -5.334 1.00 51.51 C ATOM 1058 CG PHE A 66 -9.573 -4.890 -4.030 1.00 64.54 C ATOM 1059 CD1 PHE A 66 -10.939 -4.601 -4.029 1.00 42.54 C ATOM 1060 CD2 PHE A 66 -8.954 -5.126 -2.803 1.00 35.13 C ATOM 1061 CE1 PHE A 66 -11.648 -4.540 -2.841 1.00 63.34 C ATOM 1062 CE2 PHE A 66 -9.667 -5.068 -1.620 1.00 32.21 C ATOM 1063 CZ PHE A 66 -11.012 -4.778 -1.640 1.00 21.30 C ATOM 0 H PHE A 66 -10.194 -3.099 -6.117 1.00 52.32 H new ATOM 0 HA PHE A 66 -7.636 -3.162 -5.075 1.00 34.44 H new ATOM 0 HB2 PHE A 66 -9.428 -5.409 -6.101 1.00 51.51 H new ATOM 0 HB3 PHE A 66 -7.962 -5.695 -5.185 1.00 51.51 H new ATOM 0 HD1 PHE A 66 -11.448 -4.423 -4.965 1.00 42.54 H new ATOM 0 HD2 PHE A 66 -7.900 -5.358 -2.776 1.00 35.13 H new ATOM 0 HE1 PHE A 66 -12.702 -4.305 -2.855 1.00 63.34 H new ATOM 0 HE2 PHE A 66 -9.168 -5.250 -0.680 1.00 32.21 H new ATOM 0 HZ PHE A 66 -11.570 -4.737 -0.716 1.00 21.30 H new ATOM 1073 N GLN A 67 -7.759 -4.031 -8.271 1.00 32.45 N ATOM 1074 CA GLN A 67 -6.980 -4.229 -9.510 1.00 33.42 C ATOM 1075 C GLN A 67 -5.878 -3.169 -9.657 1.00 13.43 C ATOM 1076 O GLN A 67 -4.747 -3.498 -10.010 1.00 14.42 O ATOM 1077 CB GLN A 67 -7.898 -4.164 -10.761 1.00 14.24 C ATOM 1078 CG GLN A 67 -8.973 -5.257 -10.835 1.00 65.23 C ATOM 1079 CD GLN A 67 -8.404 -6.679 -10.940 1.00 51.45 C ATOM 1080 OE1 GLN A 67 -7.322 -6.903 -11.488 1.00 11.32 O ATOM 1081 NE2 GLN A 67 -9.130 -7.649 -10.417 1.00 4.41 N ATOM 0 H GLN A 67 -8.761 -3.937 -8.435 1.00 32.45 H new ATOM 0 HA GLN A 67 -6.523 -5.216 -9.439 1.00 33.42 H new ATOM 0 HB2 GLN A 67 -8.389 -3.191 -10.783 1.00 14.24 H new ATOM 0 HB3 GLN A 67 -7.275 -4.227 -11.653 1.00 14.24 H new ATOM 0 HG2 GLN A 67 -9.605 -5.193 -9.949 1.00 65.23 H new ATOM 0 HG3 GLN A 67 -9.613 -5.067 -11.697 1.00 65.23 H new ATOM 0 HE21 GLN A 67 -10.021 -7.435 -9.970 1.00 4.41 H new ATOM 0 HE22 GLN A 67 -8.800 -8.613 -10.460 1.00 4.41 H new ATOM 1090 N LEU A 68 -6.230 -1.898 -9.363 1.00 54.34 N ATOM 1091 CA LEU A 68 -5.298 -0.763 -9.485 1.00 51.00 C ATOM 1092 C LEU A 68 -4.251 -0.846 -8.364 1.00 12.40 C ATOM 1093 O LEU A 68 -3.067 -0.623 -8.600 1.00 62.10 O ATOM 1094 CB LEU A 68 -6.056 0.593 -9.441 1.00 4.23 C ATOM 1095 CG LEU A 68 -7.241 0.765 -10.448 1.00 24.32 C ATOM 1096 CD1 LEU A 68 -7.802 2.205 -10.396 1.00 5.24 C ATOM 1097 CD2 LEU A 68 -6.848 0.357 -11.888 1.00 52.12 C ATOM 0 H LEU A 68 -7.160 -1.635 -9.038 1.00 54.34 H new ATOM 0 HA LEU A 68 -4.795 -0.818 -10.450 1.00 51.00 H new ATOM 0 HB2 LEU A 68 -6.443 0.735 -8.432 1.00 4.23 H new ATOM 0 HB3 LEU A 68 -5.337 1.392 -9.622 1.00 4.23 H new ATOM 0 HG LEU A 68 -8.033 0.084 -10.138 1.00 24.32 H new ATOM 0 HD11 LEU A 68 -8.625 2.301 -11.104 1.00 5.24 H new ATOM 0 HD12 LEU A 68 -8.163 2.419 -9.390 1.00 5.24 H new ATOM 0 HD13 LEU A 68 -7.014 2.912 -10.657 1.00 5.24 H new ATOM 0 HD21 LEU A 68 -7.702 0.494 -12.551 1.00 52.12 H new ATOM 0 HD22 LEU A 68 -6.021 0.979 -12.230 1.00 52.12 H new ATOM 0 HD23 LEU A 68 -6.544 -0.690 -11.899 1.00 52.12 H new ATOM 1109 N ALA A 69 -4.722 -1.235 -7.162 1.00 1.41 N ATOM 1110 CA ALA A 69 -3.869 -1.450 -5.975 1.00 60.34 C ATOM 1111 C ALA A 69 -2.827 -2.567 -6.216 1.00 64.40 C ATOM 1112 O ALA A 69 -1.725 -2.533 -5.654 1.00 32.52 O ATOM 1113 CB ALA A 69 -4.747 -1.779 -4.753 1.00 24.33 C ATOM 0 H ALA A 69 -5.711 -1.410 -6.986 1.00 1.41 H new ATOM 0 HA ALA A 69 -3.318 -0.530 -5.782 1.00 60.34 H new ATOM 0 HB1 ALA A 69 -4.112 -1.937 -3.881 1.00 24.33 H new ATOM 0 HB2 ALA A 69 -5.429 -0.950 -4.561 1.00 24.33 H new ATOM 0 HB3 ALA A 69 -5.322 -2.683 -4.951 1.00 24.33 H new ATOM 1119 N LEU A 70 -3.199 -3.559 -7.051 1.00 40.21 N ATOM 1120 CA LEU A 70 -2.295 -4.639 -7.476 1.00 54.15 C ATOM 1121 C LEU A 70 -1.265 -4.121 -8.499 1.00 13.34 C ATOM 1122 O LEU A 70 -0.068 -4.037 -8.196 1.00 61.51 O ATOM 1123 CB LEU A 70 -3.113 -5.820 -8.080 1.00 54.12 C ATOM 1124 CG LEU A 70 -4.070 -6.564 -7.099 1.00 74.44 C ATOM 1125 CD1 LEU A 70 -5.009 -7.529 -7.849 1.00 10.24 C ATOM 1126 CD2 LEU A 70 -3.283 -7.295 -5.996 1.00 34.45 C ATOM 0 H LEU A 70 -4.136 -3.631 -7.448 1.00 40.21 H new ATOM 0 HA LEU A 70 -1.754 -4.998 -6.600 1.00 54.15 H new ATOM 0 HB2 LEU A 70 -3.704 -5.438 -8.912 1.00 54.12 H new ATOM 0 HB3 LEU A 70 -2.413 -6.546 -8.493 1.00 54.12 H new ATOM 0 HG LEU A 70 -4.693 -5.811 -6.617 1.00 74.44 H new ATOM 0 HD11 LEU A 70 -5.662 -8.030 -7.134 1.00 10.24 H new ATOM 0 HD12 LEU A 70 -5.614 -6.968 -8.561 1.00 10.24 H new ATOM 0 HD13 LEU A 70 -4.416 -8.272 -8.382 1.00 10.24 H new ATOM 0 HD21 LEU A 70 -3.979 -7.804 -5.329 1.00 34.45 H new ATOM 0 HD22 LEU A 70 -2.615 -8.027 -6.450 1.00 34.45 H new ATOM 0 HD23 LEU A 70 -2.697 -6.573 -5.427 1.00 34.45 H new ATOM 1138 N LYS A 71 -1.768 -3.716 -9.683 1.00 50.51 N ATOM 1139 CA LYS A 71 -0.936 -3.421 -10.875 1.00 34.00 C ATOM 1140 C LYS A 71 0.021 -2.231 -10.651 1.00 72.20 C ATOM 1141 O LYS A 71 1.161 -2.245 -11.142 1.00 45.43 O ATOM 1142 CB LYS A 71 -1.835 -3.183 -12.123 1.00 23.31 C ATOM 1143 CG LYS A 71 -2.738 -1.930 -12.054 1.00 40.25 C ATOM 1144 CD LYS A 71 -3.727 -1.819 -13.241 1.00 43.45 C ATOM 1145 CE LYS A 71 -4.708 -3.000 -13.318 1.00 55.03 C ATOM 1146 NZ LYS A 71 -5.724 -2.806 -14.383 1.00 13.11 N ATOM 0 H LYS A 71 -2.766 -3.583 -9.843 1.00 50.51 H new ATOM 0 HA LYS A 71 -0.310 -4.296 -11.052 1.00 34.00 H new ATOM 0 HB2 LYS A 71 -1.195 -3.102 -13.002 1.00 23.31 H new ATOM 0 HB3 LYS A 71 -2.467 -4.059 -12.268 1.00 23.31 H new ATOM 0 HG2 LYS A 71 -3.302 -1.948 -11.121 1.00 40.25 H new ATOM 0 HG3 LYS A 71 -2.110 -1.039 -12.029 1.00 40.25 H new ATOM 0 HD2 LYS A 71 -4.291 -0.891 -13.151 1.00 43.45 H new ATOM 0 HD3 LYS A 71 -3.163 -1.761 -14.172 1.00 43.45 H new ATOM 0 HE2 LYS A 71 -4.155 -3.920 -13.507 1.00 55.03 H new ATOM 0 HE3 LYS A 71 -5.208 -3.120 -12.357 1.00 55.03 H new ATOM 0 HZ1 LYS A 71 -6.367 -3.624 -14.403 1.00 13.11 H new ATOM 0 HZ2 LYS A 71 -6.269 -1.942 -14.189 1.00 13.11 H new ATOM 0 HZ3 LYS A 71 -5.249 -2.717 -15.304 1.00 13.11 H new ATOM 1160 N ASP A 72 -0.443 -1.220 -9.886 1.00 12.11 N ATOM 1161 CA ASP A 72 0.373 -0.041 -9.539 1.00 4.30 C ATOM 1162 C ASP A 72 1.538 -0.463 -8.630 1.00 61.14 C ATOM 1163 O ASP A 72 2.662 -0.030 -8.829 1.00 64.41 O ATOM 1164 CB ASP A 72 -0.494 1.049 -8.857 1.00 44.33 C ATOM 1165 CG ASP A 72 0.295 2.316 -8.476 1.00 21.34 C ATOM 1166 OD1 ASP A 72 0.619 3.126 -9.378 1.00 23.51 O ATOM 1167 OD2 ASP A 72 0.582 2.523 -7.280 1.00 50.30 O ATOM 0 H ASP A 72 -1.385 -1.199 -9.496 1.00 12.11 H new ATOM 0 HA ASP A 72 0.781 0.386 -10.455 1.00 4.30 H new ATOM 0 HB2 ASP A 72 -1.308 1.326 -9.527 1.00 44.33 H new ATOM 0 HB3 ASP A 72 -0.949 0.631 -7.959 1.00 44.33 H new ATOM 1172 N CYS A 73 1.256 -1.358 -7.663 1.00 60.44 N ATOM 1173 CA CYS A 73 2.275 -1.875 -6.725 1.00 23.41 C ATOM 1174 C CYS A 73 3.266 -2.825 -7.433 1.00 71.01 C ATOM 1175 O CYS A 73 4.443 -2.892 -7.046 1.00 23.10 O ATOM 1176 CB CYS A 73 1.601 -2.592 -5.537 1.00 13.34 C ATOM 1177 SG CYS A 73 2.756 -3.283 -4.325 1.00 35.23 S ATOM 0 H CYS A 73 0.323 -1.741 -7.510 1.00 60.44 H new ATOM 0 HA CYS A 73 2.841 -1.023 -6.348 1.00 23.41 H new ATOM 0 HB2 CYS A 73 0.941 -1.888 -5.031 1.00 13.34 H new ATOM 0 HB3 CYS A 73 0.974 -3.396 -5.922 1.00 13.34 H new ATOM 0 HG CYS A 73 3.930 -3.411 -4.868 1.00 35.23 H new ATOM 1183 N GLU A 74 2.782 -3.543 -8.487 1.00 72.25 N ATOM 1184 CA GLU A 74 3.626 -4.465 -9.288 1.00 10.24 C ATOM 1185 C GLU A 74 4.793 -3.716 -9.954 1.00 43.22 C ATOM 1186 O GLU A 74 5.908 -4.227 -10.009 1.00 65.52 O ATOM 1187 CB GLU A 74 2.810 -5.206 -10.392 1.00 32.40 C ATOM 1188 CG GLU A 74 1.662 -6.122 -9.903 1.00 51.43 C ATOM 1189 CD GLU A 74 2.071 -7.373 -9.091 1.00 61.34 C ATOM 1190 OE1 GLU A 74 3.266 -7.607 -8.802 1.00 31.22 O ATOM 1191 OE2 GLU A 74 1.163 -8.144 -8.725 1.00 71.41 O ATOM 0 H GLU A 74 1.812 -3.498 -8.798 1.00 72.25 H new ATOM 0 HA GLU A 74 4.014 -5.203 -8.587 1.00 10.24 H new ATOM 0 HB2 GLU A 74 2.388 -4.459 -11.064 1.00 32.40 H new ATOM 0 HB3 GLU A 74 3.501 -5.809 -10.980 1.00 32.40 H new ATOM 0 HG2 GLU A 74 0.987 -5.524 -9.291 1.00 51.43 H new ATOM 0 HG3 GLU A 74 1.095 -6.452 -10.774 1.00 51.43 H new ATOM 1198 N GLU A 75 4.509 -2.512 -10.480 1.00 2.52 N ATOM 1199 CA GLU A 75 5.528 -1.666 -11.135 1.00 75.10 C ATOM 1200 C GLU A 75 6.272 -0.772 -10.111 1.00 74.14 C ATOM 1201 O GLU A 75 7.467 -0.510 -10.264 1.00 41.03 O ATOM 1202 CB GLU A 75 4.886 -0.796 -12.256 1.00 41.35 C ATOM 1203 CG GLU A 75 3.689 0.072 -11.805 1.00 33.14 C ATOM 1204 CD GLU A 75 3.294 1.155 -12.819 1.00 34.23 C ATOM 1205 OE1 GLU A 75 2.511 0.874 -13.748 1.00 22.42 O ATOM 1206 OE2 GLU A 75 3.762 2.301 -12.678 1.00 1.51 O ATOM 0 H GLU A 75 3.577 -2.099 -10.465 1.00 2.52 H new ATOM 0 HA GLU A 75 6.263 -2.331 -11.589 1.00 75.10 H new ATOM 0 HB2 GLU A 75 5.653 -0.143 -12.672 1.00 41.35 H new ATOM 0 HB3 GLU A 75 4.556 -1.453 -13.061 1.00 41.35 H new ATOM 0 HG2 GLU A 75 2.830 -0.575 -11.625 1.00 33.14 H new ATOM 0 HG3 GLU A 75 3.934 0.548 -10.856 1.00 33.14 H new ATOM 1213 N CYS A 76 5.559 -0.330 -9.057 1.00 75.21 N ATOM 1214 CA CYS A 76 6.069 0.687 -8.103 1.00 53.04 C ATOM 1215 C CYS A 76 7.182 0.129 -7.188 1.00 61.23 C ATOM 1216 O CYS A 76 7.994 0.891 -6.644 1.00 23.12 O ATOM 1217 CB CYS A 76 4.931 1.298 -7.270 1.00 20.14 C ATOM 1218 SG CYS A 76 5.363 2.897 -6.595 1.00 62.03 S ATOM 0 H CYS A 76 4.619 -0.662 -8.839 1.00 75.21 H new ATOM 0 HA CYS A 76 6.514 1.480 -8.704 1.00 53.04 H new ATOM 0 HB2 CYS A 76 4.042 1.398 -7.892 1.00 20.14 H new ATOM 0 HB3 CYS A 76 4.676 0.620 -6.456 1.00 20.14 H new ATOM 0 HG CYS A 76 4.419 3.750 -6.861 1.00 62.03 H new ATOM 1224 N ILE A 77 7.209 -1.209 -7.025 1.00 43.53 N ATOM 1225 CA ILE A 77 8.300 -1.915 -6.316 1.00 44.11 C ATOM 1226 C ILE A 77 9.660 -1.666 -7.031 1.00 73.32 C ATOM 1227 O ILE A 77 10.718 -1.709 -6.403 1.00 64.23 O ATOM 1228 CB ILE A 77 7.958 -3.460 -6.178 1.00 52.01 C ATOM 1229 CG1 ILE A 77 8.925 -4.250 -5.211 1.00 70.13 C ATOM 1230 CG2 ILE A 77 7.877 -4.146 -7.562 1.00 21.51 C ATOM 1231 CD1 ILE A 77 10.219 -4.805 -5.817 1.00 32.13 C ATOM 0 H ILE A 77 6.480 -1.829 -7.378 1.00 43.53 H new ATOM 0 HA ILE A 77 8.393 -1.517 -5.306 1.00 44.11 H new ATOM 0 HB ILE A 77 6.975 -3.497 -5.709 1.00 52.01 H new ATOM 0 HG12 ILE A 77 9.194 -3.589 -4.387 1.00 70.13 H new ATOM 0 HG13 ILE A 77 8.368 -5.083 -4.782 1.00 70.13 H new ATOM 0 HG21 ILE A 77 7.641 -5.202 -7.431 1.00 21.51 H new ATOM 0 HG22 ILE A 77 7.098 -3.671 -8.158 1.00 21.51 H new ATOM 0 HG23 ILE A 77 8.835 -4.048 -8.073 1.00 21.51 H new ATOM 0 HD11 ILE A 77 10.789 -5.324 -5.046 1.00 32.13 H new ATOM 0 HD12 ILE A 77 9.976 -5.502 -6.619 1.00 32.13 H new ATOM 0 HD13 ILE A 77 10.814 -3.985 -6.218 1.00 32.13 H new ATOM 1243 N GLN A 78 9.613 -1.350 -8.344 1.00 11.01 N ATOM 1244 CA GLN A 78 10.825 -1.036 -9.128 1.00 52.12 C ATOM 1245 C GLN A 78 11.306 0.409 -8.844 1.00 71.33 C ATOM 1246 O GLN A 78 12.484 0.721 -9.021 1.00 24.21 O ATOM 1247 CB GLN A 78 10.558 -1.256 -10.646 1.00 11.34 C ATOM 1248 CG GLN A 78 9.969 -2.646 -10.988 1.00 71.14 C ATOM 1249 CD GLN A 78 10.836 -3.833 -10.532 1.00 64.31 C ATOM 1250 OE1 GLN A 78 12.064 -3.752 -10.476 1.00 20.43 O ATOM 1251 NE2 GLN A 78 10.198 -4.948 -10.196 1.00 30.41 N ATOM 0 H GLN A 78 8.748 -1.306 -8.882 1.00 11.01 H new ATOM 0 HA GLN A 78 11.622 -1.713 -8.823 1.00 52.12 H new ATOM 0 HB2 GLN A 78 9.872 -0.486 -10.999 1.00 11.34 H new ATOM 0 HB3 GLN A 78 11.493 -1.125 -11.191 1.00 11.34 H new ATOM 0 HG2 GLN A 78 8.984 -2.733 -10.528 1.00 71.14 H new ATOM 0 HG3 GLN A 78 9.824 -2.711 -12.066 1.00 71.14 H new ATOM 0 HE21 GLN A 78 9.180 -4.990 -10.251 1.00 30.41 H new ATOM 0 HE22 GLN A 78 10.726 -5.763 -9.883 1.00 30.41 H new ATOM 1260 N LEU A 79 10.371 1.273 -8.400 1.00 35.13 N ATOM 1261 CA LEU A 79 10.666 2.671 -7.992 1.00 43.12 C ATOM 1262 C LEU A 79 11.268 2.699 -6.582 1.00 61.12 C ATOM 1263 O LEU A 79 12.224 3.425 -6.310 1.00 52.04 O ATOM 1264 CB LEU A 79 9.362 3.516 -7.998 1.00 1.55 C ATOM 1265 CG LEU A 79 8.616 3.601 -9.357 1.00 75.04 C ATOM 1266 CD1 LEU A 79 7.273 4.351 -9.207 1.00 11.41 C ATOM 1267 CD2 LEU A 79 9.514 4.249 -10.430 1.00 2.21 C ATOM 0 H LEU A 79 9.386 1.025 -8.312 1.00 35.13 H new ATOM 0 HA LEU A 79 11.380 3.090 -8.701 1.00 43.12 H new ATOM 0 HB2 LEU A 79 8.680 3.101 -7.256 1.00 1.55 H new ATOM 0 HB3 LEU A 79 9.606 4.528 -7.676 1.00 1.55 H new ATOM 0 HG LEU A 79 8.385 2.588 -9.686 1.00 75.04 H new ATOM 0 HD11 LEU A 79 6.771 4.396 -10.174 1.00 11.41 H new ATOM 0 HD12 LEU A 79 6.640 3.824 -8.494 1.00 11.41 H new ATOM 0 HD13 LEU A 79 7.460 5.363 -8.848 1.00 11.41 H new ATOM 0 HD21 LEU A 79 8.973 4.299 -11.375 1.00 2.21 H new ATOM 0 HD22 LEU A 79 9.789 5.256 -10.115 1.00 2.21 H new ATOM 0 HD23 LEU A 79 10.416 3.651 -10.560 1.00 2.21 H new ATOM 1279 N GLU A 80 10.671 1.895 -5.708 1.00 31.43 N ATOM 1280 CA GLU A 80 11.028 1.799 -4.290 1.00 34.00 C ATOM 1281 C GLU A 80 10.693 0.370 -3.832 1.00 4.41 C ATOM 1282 O GLU A 80 9.522 0.035 -3.752 1.00 72.51 O ATOM 1283 CB GLU A 80 10.254 2.887 -3.476 1.00 50.43 C ATOM 1284 CG GLU A 80 10.225 2.723 -1.940 1.00 20.24 C ATOM 1285 CD GLU A 80 11.597 2.843 -1.268 1.00 42.14 C ATOM 1286 OE1 GLU A 80 12.319 1.832 -1.188 1.00 42.52 O ATOM 1287 OE2 GLU A 80 11.954 3.947 -0.811 1.00 44.44 O ATOM 0 H GLU A 80 9.905 1.274 -5.970 1.00 31.43 H new ATOM 0 HA GLU A 80 12.089 1.986 -4.124 1.00 34.00 H new ATOM 0 HB2 GLU A 80 10.693 3.858 -3.705 1.00 50.43 H new ATOM 0 HB3 GLU A 80 9.225 2.910 -3.834 1.00 50.43 H new ATOM 0 HG2 GLU A 80 9.560 3.476 -1.518 1.00 20.24 H new ATOM 0 HG3 GLU A 80 9.799 1.749 -1.698 1.00 20.24 H new ATOM 1294 N PRO A 81 11.713 -0.531 -3.648 1.00 32.22 N ATOM 1295 CA PRO A 81 11.473 -1.928 -3.198 1.00 0.51 C ATOM 1296 C PRO A 81 11.268 -2.090 -1.673 1.00 30.33 C ATOM 1297 O PRO A 81 10.557 -2.998 -1.238 1.00 32.24 O ATOM 1298 CB PRO A 81 12.752 -2.654 -3.673 1.00 55.33 C ATOM 1299 CG PRO A 81 13.830 -1.613 -3.609 1.00 62.41 C ATOM 1300 CD PRO A 81 13.160 -0.289 -3.937 1.00 35.20 C ATOM 0 HA PRO A 81 10.543 -2.324 -3.606 1.00 0.51 H new ATOM 0 HB2 PRO A 81 12.985 -3.505 -3.032 1.00 55.33 H new ATOM 0 HB3 PRO A 81 12.635 -3.040 -4.686 1.00 55.33 H new ATOM 0 HG2 PRO A 81 14.285 -1.584 -2.619 1.00 62.41 H new ATOM 0 HG3 PRO A 81 14.626 -1.833 -4.320 1.00 62.41 H new ATOM 0 HD2 PRO A 81 13.558 0.521 -3.326 1.00 35.20 H new ATOM 0 HD3 PRO A 81 13.317 -0.010 -4.979 1.00 35.20 H new ATOM 1308 N THR A 82 11.888 -1.210 -0.862 1.00 32.45 N ATOM 1309 CA THR A 82 11.948 -1.385 0.608 1.00 22.45 C ATOM 1310 C THR A 82 10.814 -0.634 1.337 1.00 22.35 C ATOM 1311 O THR A 82 10.883 -0.452 2.559 1.00 73.25 O ATOM 1312 CB THR A 82 13.355 -0.962 1.172 1.00 21.41 C ATOM 1313 OG1 THR A 82 13.640 0.414 0.876 1.00 42.23 O ATOM 1314 CG2 THR A 82 14.486 -1.849 0.604 1.00 4.44 C ATOM 0 H THR A 82 12.356 -0.368 -1.198 1.00 32.45 H new ATOM 0 HA THR A 82 11.804 -2.447 0.804 1.00 22.45 H new ATOM 0 HB THR A 82 13.313 -1.096 2.253 1.00 21.41 H new ATOM 0 HG1 THR A 82 13.003 0.744 0.208 1.00 42.23 H new ATOM 0 HG21 THR A 82 15.442 -1.527 1.016 1.00 4.44 H new ATOM 0 HG22 THR A 82 14.305 -2.889 0.877 1.00 4.44 H new ATOM 0 HG23 THR A 82 14.509 -1.758 -0.482 1.00 4.44 H new ATOM 1322 N PHE A 83 9.764 -0.226 0.592 1.00 53.22 N ATOM 1323 CA PHE A 83 8.571 0.415 1.182 1.00 53.13 C ATOM 1324 C PHE A 83 7.767 -0.631 1.978 1.00 42.34 C ATOM 1325 O PHE A 83 7.355 -1.650 1.437 1.00 15.12 O ATOM 1326 CB PHE A 83 7.683 1.095 0.093 1.00 61.23 C ATOM 1327 CG PHE A 83 6.939 0.149 -0.869 1.00 75.33 C ATOM 1328 CD1 PHE A 83 7.624 -0.751 -1.685 1.00 25.43 C ATOM 1329 CD2 PHE A 83 5.551 0.162 -0.950 1.00 62.24 C ATOM 1330 CE1 PHE A 83 6.950 -1.583 -2.565 1.00 71.22 C ATOM 1331 CE2 PHE A 83 4.875 -0.673 -1.827 1.00 2.40 C ATOM 1332 CZ PHE A 83 5.576 -1.552 -2.626 1.00 0.01 C ATOM 0 H PHE A 83 9.720 -0.330 -0.422 1.00 53.22 H new ATOM 0 HA PHE A 83 8.901 1.204 1.858 1.00 53.13 H new ATOM 0 HB2 PHE A 83 6.946 1.722 0.595 1.00 61.23 H new ATOM 0 HB3 PHE A 83 8.315 1.758 -0.499 1.00 61.23 H new ATOM 0 HD1 PHE A 83 8.701 -0.801 -1.630 1.00 25.43 H new ATOM 0 HD2 PHE A 83 4.989 0.834 -0.319 1.00 62.24 H new ATOM 0 HE1 PHE A 83 7.504 -2.256 -3.203 1.00 71.22 H new ATOM 0 HE2 PHE A 83 3.797 -0.635 -1.884 1.00 2.40 H new ATOM 0 HZ PHE A 83 5.048 -2.213 -3.297 1.00 0.01 H new ATOM 1342 N ILE A 84 7.595 -0.387 3.271 1.00 4.44 N ATOM 1343 CA ILE A 84 6.863 -1.298 4.169 1.00 21.04 C ATOM 1344 C ILE A 84 5.356 -1.052 4.043 1.00 55.50 C ATOM 1345 O ILE A 84 4.558 -2.001 3.932 1.00 53.12 O ATOM 1346 CB ILE A 84 7.340 -1.118 5.651 1.00 40.01 C ATOM 1347 CG1 ILE A 84 8.851 -1.497 5.765 1.00 61.31 C ATOM 1348 CG2 ILE A 84 6.472 -1.940 6.628 1.00 73.21 C ATOM 1349 CD1 ILE A 84 9.416 -1.485 7.167 1.00 51.41 C ATOM 0 H ILE A 84 7.956 0.446 3.736 1.00 4.44 H new ATOM 0 HA ILE A 84 7.073 -2.327 3.876 1.00 21.04 H new ATOM 0 HB ILE A 84 7.221 -0.072 5.933 1.00 40.01 H new ATOM 0 HG12 ILE A 84 8.992 -2.492 5.343 1.00 61.31 H new ATOM 0 HG13 ILE A 84 9.429 -0.806 5.152 1.00 61.31 H new ATOM 0 HG21 ILE A 84 6.831 -1.792 7.647 1.00 73.21 H new ATOM 0 HG22 ILE A 84 5.435 -1.612 6.557 1.00 73.21 H new ATOM 0 HG23 ILE A 84 6.537 -2.997 6.371 1.00 73.21 H new ATOM 0 HD11 ILE A 84 10.470 -1.762 7.137 1.00 51.41 H new ATOM 0 HD12 ILE A 84 9.315 -0.486 7.591 1.00 51.41 H new ATOM 0 HD13 ILE A 84 8.871 -2.199 7.785 1.00 51.41 H new ATOM 1361 N LYS A 85 4.988 0.237 4.053 1.00 72.31 N ATOM 1362 CA LYS A 85 3.622 0.674 3.777 1.00 31.23 C ATOM 1363 C LYS A 85 3.326 0.385 2.301 1.00 21.32 C ATOM 1364 O LYS A 85 3.693 1.177 1.432 1.00 52.34 O ATOM 1365 CB LYS A 85 3.453 2.192 4.096 1.00 43.40 C ATOM 1366 CG LYS A 85 3.857 2.657 5.525 1.00 13.41 C ATOM 1367 CD LYS A 85 2.857 2.281 6.662 1.00 13.20 C ATOM 1368 CE LYS A 85 2.912 0.809 7.106 1.00 24.11 C ATOM 1369 NZ LYS A 85 2.147 0.586 8.360 1.00 44.13 N ATOM 0 H LYS A 85 5.633 1.002 4.253 1.00 72.31 H new ATOM 0 HA LYS A 85 2.917 0.135 4.410 1.00 31.23 H new ATOM 0 HB2 LYS A 85 4.042 2.758 3.375 1.00 43.40 H new ATOM 0 HB3 LYS A 85 2.409 2.459 3.934 1.00 43.40 H new ATOM 0 HG2 LYS A 85 4.831 2.230 5.765 1.00 13.41 H new ATOM 0 HG3 LYS A 85 3.978 3.740 5.515 1.00 13.41 H new ATOM 0 HD2 LYS A 85 3.056 2.915 7.526 1.00 13.20 H new ATOM 0 HD3 LYS A 85 1.845 2.508 6.327 1.00 13.20 H new ATOM 0 HE2 LYS A 85 2.509 0.175 6.316 1.00 24.11 H new ATOM 0 HE3 LYS A 85 3.950 0.512 7.255 1.00 24.11 H new ATOM 0 HZ1 LYS A 85 2.616 -0.149 8.927 1.00 44.13 H new ATOM 0 HZ2 LYS A 85 2.108 1.471 8.905 1.00 44.13 H new ATOM 0 HZ3 LYS A 85 1.181 0.279 8.127 1.00 44.13 H new ATOM 1383 N GLY A 86 2.757 -0.804 2.035 1.00 32.11 N ATOM 1384 CA GLY A 86 2.390 -1.208 0.686 1.00 70.33 C ATOM 1385 C GLY A 86 2.178 -2.697 0.563 1.00 65.04 C ATOM 1386 O GLY A 86 1.183 -3.131 -0.008 1.00 10.20 O ATOM 0 H GLY A 86 2.544 -1.500 2.750 1.00 32.11 H new ATOM 0 HA2 GLY A 86 1.478 -0.689 0.391 1.00 70.33 H new ATOM 0 HA3 GLY A 86 3.172 -0.898 -0.007 1.00 70.33 H new ATOM 1390 N TYR A 87 3.122 -3.484 1.113 1.00 43.41 N ATOM 1391 CA TYR A 87 3.056 -4.962 1.086 1.00 21.44 C ATOM 1392 C TYR A 87 1.830 -5.497 1.853 1.00 23.04 C ATOM 1393 O TYR A 87 1.193 -6.453 1.410 1.00 23.43 O ATOM 1394 CB TYR A 87 4.351 -5.584 1.660 1.00 64.02 C ATOM 1395 CG TYR A 87 5.564 -5.520 0.724 1.00 14.01 C ATOM 1396 CD1 TYR A 87 6.243 -4.328 0.512 1.00 1.01 C ATOM 1397 CD2 TYR A 87 6.032 -6.658 0.060 1.00 60.45 C ATOM 1398 CE1 TYR A 87 7.340 -4.266 -0.325 1.00 54.42 C ATOM 1399 CE2 TYR A 87 7.130 -6.599 -0.779 1.00 5.42 C ATOM 1400 CZ TYR A 87 7.779 -5.400 -0.966 1.00 62.54 C ATOM 1401 OH TYR A 87 8.878 -5.337 -1.797 1.00 32.04 O ATOM 0 H TYR A 87 3.948 -3.118 1.586 1.00 43.41 H new ATOM 0 HA TYR A 87 2.954 -5.256 0.041 1.00 21.44 H new ATOM 0 HB2 TYR A 87 4.601 -5.075 2.591 1.00 64.02 H new ATOM 0 HB3 TYR A 87 4.157 -6.627 1.910 1.00 64.02 H new ATOM 0 HD1 TYR A 87 5.907 -3.431 1.011 1.00 1.01 H new ATOM 0 HD2 TYR A 87 5.526 -7.601 0.205 1.00 60.45 H new ATOM 0 HE1 TYR A 87 7.852 -3.327 -0.476 1.00 54.42 H new ATOM 0 HE2 TYR A 87 7.476 -7.489 -1.284 1.00 5.42 H new ATOM 0 HH TYR A 87 9.409 -4.543 -1.578 1.00 32.04 H new ATOM 1411 N THR A 88 1.512 -4.870 2.997 1.00 35.24 N ATOM 1412 CA THR A 88 0.320 -5.215 3.797 1.00 72.04 C ATOM 1413 C THR A 88 -0.989 -5.003 2.975 1.00 12.32 C ATOM 1414 O THR A 88 -1.926 -5.806 3.059 1.00 65.23 O ATOM 1415 CB THR A 88 0.280 -4.365 5.109 1.00 23.24 C ATOM 1416 OG1 THR A 88 1.562 -4.420 5.757 1.00 43.54 O ATOM 1417 CG2 THR A 88 -0.801 -4.854 6.094 1.00 53.43 C ATOM 0 H THR A 88 2.069 -4.113 3.394 1.00 35.24 H new ATOM 0 HA THR A 88 0.386 -6.270 4.062 1.00 72.04 H new ATOM 0 HB THR A 88 0.034 -3.342 4.824 1.00 23.24 H new ATOM 0 HG1 THR A 88 1.597 -3.750 6.471 1.00 43.54 H new ATOM 0 HG21 THR A 88 -0.787 -4.231 6.988 1.00 53.43 H new ATOM 0 HG22 THR A 88 -1.781 -4.788 5.621 1.00 53.43 H new ATOM 0 HG23 THR A 88 -0.600 -5.889 6.370 1.00 53.43 H new ATOM 1425 N ARG A 89 -1.000 -3.934 2.144 1.00 5.51 N ATOM 1426 CA ARG A 89 -2.169 -3.544 1.311 1.00 2.34 C ATOM 1427 C ARG A 89 -2.259 -4.407 0.040 1.00 43.11 C ATOM 1428 O ARG A 89 -3.352 -4.730 -0.433 1.00 51.24 O ATOM 1429 CB ARG A 89 -2.067 -2.039 0.920 1.00 13.13 C ATOM 1430 CG ARG A 89 -1.941 -1.080 2.123 1.00 34.45 C ATOM 1431 CD ARG A 89 -3.116 -1.203 3.107 1.00 74.13 C ATOM 1432 NE ARG A 89 -2.921 -0.398 4.325 1.00 54.44 N ATOM 1433 CZ ARG A 89 -3.643 -0.532 5.450 1.00 32.02 C ATOM 1434 NH1 ARG A 89 -4.620 -1.436 5.536 1.00 14.04 N ATOM 1435 NH2 ARG A 89 -3.386 0.246 6.489 1.00 53.51 N ATOM 0 H ARG A 89 -0.198 -3.314 2.030 1.00 5.51 H new ATOM 0 HA ARG A 89 -3.072 -3.707 1.900 1.00 2.34 H new ATOM 0 HB2 ARG A 89 -1.204 -1.902 0.269 1.00 13.13 H new ATOM 0 HB3 ARG A 89 -2.949 -1.765 0.342 1.00 13.13 H new ATOM 0 HG2 ARG A 89 -1.009 -1.285 2.649 1.00 34.45 H new ATOM 0 HG3 ARG A 89 -1.883 -0.054 1.760 1.00 34.45 H new ATOM 0 HD2 ARG A 89 -4.035 -0.889 2.611 1.00 74.13 H new ATOM 0 HD3 ARG A 89 -3.245 -2.249 3.384 1.00 74.13 H new ATOM 0 HE ARG A 89 -2.187 0.310 4.314 1.00 54.44 H new ATOM 0 HH11 ARG A 89 -4.829 -2.039 4.740 1.00 14.04 H new ATOM 0 HH12 ARG A 89 -5.158 -1.525 6.398 1.00 14.04 H new ATOM 0 HH21 ARG A 89 -2.643 0.943 6.433 1.00 53.51 H new ATOM 0 HH22 ARG A 89 -3.931 0.149 7.346 1.00 53.51 H new ATOM 1449 N LYS A 90 -1.080 -4.766 -0.487 1.00 4.42 N ATOM 1450 CA LYS A 90 -0.927 -5.587 -1.695 1.00 5.31 C ATOM 1451 C LYS A 90 -1.419 -7.011 -1.422 1.00 10.12 C ATOM 1452 O LYS A 90 -2.129 -7.604 -2.236 1.00 52.43 O ATOM 1453 CB LYS A 90 0.571 -5.597 -2.126 1.00 21.11 C ATOM 1454 CG LYS A 90 0.891 -6.420 -3.395 1.00 33.22 C ATOM 1455 CD LYS A 90 0.073 -5.952 -4.619 1.00 53.53 C ATOM 1456 CE LYS A 90 0.517 -6.629 -5.918 1.00 12.45 C ATOM 1457 NZ LYS A 90 0.418 -8.113 -5.860 1.00 72.32 N ATOM 0 H LYS A 90 -0.189 -4.488 -0.077 1.00 4.42 H new ATOM 0 HA LYS A 90 -1.525 -5.166 -2.503 1.00 5.31 H new ATOM 0 HB2 LYS A 90 0.891 -4.568 -2.291 1.00 21.11 H new ATOM 0 HB3 LYS A 90 1.166 -5.988 -1.301 1.00 21.11 H new ATOM 0 HG2 LYS A 90 1.955 -6.339 -3.619 1.00 33.22 H new ATOM 0 HG3 LYS A 90 0.685 -7.473 -3.204 1.00 33.22 H new ATOM 0 HD2 LYS A 90 -0.983 -6.161 -4.447 1.00 53.53 H new ATOM 0 HD3 LYS A 90 0.171 -4.872 -4.725 1.00 53.53 H new ATOM 0 HE2 LYS A 90 -0.095 -6.261 -6.741 1.00 12.45 H new ATOM 0 HE3 LYS A 90 1.547 -6.347 -6.135 1.00 12.45 H new ATOM 0 HZ1 LYS A 90 0.600 -8.510 -6.804 1.00 72.32 H new ATOM 0 HZ2 LYS A 90 1.121 -8.482 -5.188 1.00 72.32 H new ATOM 0 HZ3 LYS A 90 -0.536 -8.385 -5.548 1.00 72.32 H new ATOM 1471 N ALA A 91 -1.037 -7.519 -0.246 1.00 0.10 N ATOM 1472 CA ALA A 91 -1.424 -8.841 0.240 1.00 3.23 C ATOM 1473 C ALA A 91 -2.909 -8.871 0.632 1.00 64.31 C ATOM 1474 O ALA A 91 -3.563 -9.894 0.490 1.00 14.31 O ATOM 1475 CB ALA A 91 -0.542 -9.222 1.425 1.00 14.43 C ATOM 0 H ALA A 91 -0.439 -7.011 0.405 1.00 0.10 H new ATOM 0 HA ALA A 91 -1.283 -9.568 -0.560 1.00 3.23 H new ATOM 0 HB1 ALA A 91 -0.829 -10.208 1.790 1.00 14.43 H new ATOM 0 HB2 ALA A 91 0.502 -9.241 1.111 1.00 14.43 H new ATOM 0 HB3 ALA A 91 -0.668 -8.490 2.222 1.00 14.43 H new ATOM 1481 N ALA A 92 -3.420 -7.726 1.128 1.00 74.14 N ATOM 1482 CA ALA A 92 -4.851 -7.547 1.445 1.00 44.40 C ATOM 1483 C ALA A 92 -5.708 -7.594 0.167 1.00 45.24 C ATOM 1484 O ALA A 92 -6.819 -8.137 0.165 1.00 63.42 O ATOM 1485 CB ALA A 92 -5.060 -6.225 2.193 1.00 64.23 C ATOM 0 H ALA A 92 -2.853 -6.900 1.320 1.00 74.14 H new ATOM 0 HA ALA A 92 -5.170 -8.367 2.088 1.00 44.40 H new ATOM 0 HB1 ALA A 92 -6.118 -6.100 2.423 1.00 64.23 H new ATOM 0 HB2 ALA A 92 -4.486 -6.237 3.120 1.00 64.23 H new ATOM 0 HB3 ALA A 92 -4.725 -5.397 1.569 1.00 64.23 H new ATOM 1491 N ALA A 93 -5.162 -7.023 -0.920 1.00 1.32 N ATOM 1492 CA ALA A 93 -5.804 -7.037 -2.241 1.00 50.20 C ATOM 1493 C ALA A 93 -5.790 -8.462 -2.831 1.00 71.14 C ATOM 1494 O ALA A 93 -6.826 -8.958 -3.280 1.00 74.24 O ATOM 1495 CB ALA A 93 -5.119 -6.025 -3.171 1.00 40.22 C ATOM 0 H ALA A 93 -4.264 -6.540 -0.905 1.00 1.32 H new ATOM 0 HA ALA A 93 -6.847 -6.738 -2.137 1.00 50.20 H new ATOM 0 HB1 ALA A 93 -5.602 -6.043 -4.148 1.00 40.22 H new ATOM 0 HB2 ALA A 93 -5.201 -5.025 -2.744 1.00 40.22 H new ATOM 0 HB3 ALA A 93 -4.067 -6.287 -3.282 1.00 40.22 H new ATOM 1501 N LEU A 94 -4.612 -9.130 -2.760 1.00 43.54 N ATOM 1502 CA LEU A 94 -4.439 -10.540 -3.189 1.00 45.10 C ATOM 1503 C LEU A 94 -5.398 -11.473 -2.423 1.00 11.51 C ATOM 1504 O LEU A 94 -5.999 -12.371 -3.009 1.00 45.21 O ATOM 1505 CB LEU A 94 -2.967 -11.004 -2.988 1.00 55.10 C ATOM 1506 CG LEU A 94 -1.912 -10.348 -3.934 1.00 73.32 C ATOM 1507 CD1 LEU A 94 -0.471 -10.685 -3.501 1.00 3.33 C ATOM 1508 CD2 LEU A 94 -2.159 -10.745 -5.407 1.00 4.43 C ATOM 0 H LEU A 94 -3.755 -8.706 -2.404 1.00 43.54 H new ATOM 0 HA LEU A 94 -4.679 -10.594 -4.251 1.00 45.10 H new ATOM 0 HB2 LEU A 94 -2.679 -10.800 -1.957 1.00 55.10 H new ATOM 0 HB3 LEU A 94 -2.925 -12.085 -3.122 1.00 55.10 H new ATOM 0 HG LEU A 94 -2.032 -9.268 -3.854 1.00 73.32 H new ATOM 0 HD11 LEU A 94 0.234 -10.211 -4.183 1.00 3.33 H new ATOM 0 HD12 LEU A 94 -0.300 -10.318 -2.489 1.00 3.33 H new ATOM 0 HD13 LEU A 94 -0.327 -11.765 -3.524 1.00 3.33 H new ATOM 0 HD21 LEU A 94 -1.409 -10.273 -6.042 1.00 4.43 H new ATOM 0 HD22 LEU A 94 -2.091 -11.828 -5.508 1.00 4.43 H new ATOM 0 HD23 LEU A 94 -3.152 -10.414 -5.711 1.00 4.43 H new ATOM 1520 N GLU A 95 -5.566 -11.197 -1.118 1.00 53.41 N ATOM 1521 CA GLU A 95 -6.493 -11.932 -0.240 1.00 54.53 C ATOM 1522 C GLU A 95 -7.952 -11.777 -0.735 1.00 24.24 C ATOM 1523 O GLU A 95 -8.751 -12.714 -0.635 1.00 63.13 O ATOM 1524 CB GLU A 95 -6.333 -11.429 1.218 1.00 34.13 C ATOM 1525 CG GLU A 95 -7.173 -12.180 2.263 1.00 23.00 C ATOM 1526 CD GLU A 95 -6.984 -11.637 3.685 1.00 20.43 C ATOM 1527 OE1 GLU A 95 -7.613 -10.607 4.017 1.00 23.13 O ATOM 1528 OE2 GLU A 95 -6.213 -12.219 4.475 1.00 64.31 O ATOM 0 H GLU A 95 -5.059 -10.452 -0.640 1.00 53.41 H new ATOM 0 HA GLU A 95 -6.252 -12.995 -0.268 1.00 54.53 H new ATOM 0 HB2 GLU A 95 -5.282 -11.503 1.498 1.00 34.13 H new ATOM 0 HB3 GLU A 95 -6.598 -10.372 1.252 1.00 34.13 H new ATOM 0 HG2 GLU A 95 -8.226 -12.113 1.991 1.00 23.00 H new ATOM 0 HG3 GLU A 95 -6.906 -13.237 2.245 1.00 23.00 H new ATOM 1535 N ALA A 96 -8.255 -10.611 -1.356 1.00 55.53 N ATOM 1536 CA ALA A 96 -9.590 -10.321 -1.913 1.00 43.03 C ATOM 1537 C ALA A 96 -9.758 -10.994 -3.292 1.00 52.21 C ATOM 1538 O ALA A 96 -10.871 -11.107 -3.803 1.00 41.24 O ATOM 1539 CB ALA A 96 -9.805 -8.799 -2.016 1.00 53.34 C ATOM 0 H ALA A 96 -7.584 -9.854 -1.482 1.00 55.53 H new ATOM 0 HA ALA A 96 -10.346 -10.730 -1.242 1.00 43.03 H new ATOM 0 HB1 ALA A 96 -10.794 -8.598 -2.428 1.00 53.34 H new ATOM 0 HB2 ALA A 96 -9.728 -8.353 -1.025 1.00 53.34 H new ATOM 0 HB3 ALA A 96 -9.046 -8.368 -2.668 1.00 53.34 H new ATOM 1545 N MET A 97 -8.627 -11.441 -3.884 1.00 62.42 N ATOM 1546 CA MET A 97 -8.603 -12.165 -5.173 1.00 44.12 C ATOM 1547 C MET A 97 -8.460 -13.681 -4.930 1.00 32.50 C ATOM 1548 O MET A 97 -8.217 -14.437 -5.876 1.00 11.11 O ATOM 1549 CB MET A 97 -7.414 -11.654 -6.032 1.00 60.43 C ATOM 1550 CG MET A 97 -7.446 -10.160 -6.333 1.00 22.41 C ATOM 1551 SD MET A 97 -8.863 -9.681 -7.335 1.00 21.13 S ATOM 1552 CE MET A 97 -8.720 -7.903 -7.266 1.00 62.54 C ATOM 0 H MET A 97 -7.701 -11.308 -3.478 1.00 62.42 H new ATOM 0 HA MET A 97 -9.538 -11.982 -5.702 1.00 44.12 H new ATOM 0 HB2 MET A 97 -6.483 -11.888 -5.516 1.00 60.43 H new ATOM 0 HB3 MET A 97 -7.402 -12.201 -6.975 1.00 60.43 H new ATOM 0 HG2 MET A 97 -7.466 -9.605 -5.395 1.00 22.41 H new ATOM 0 HG3 MET A 97 -6.529 -9.878 -6.850 1.00 22.41 H new ATOM 0 HE1 MET A 97 -9.675 -7.451 -7.535 1.00 62.54 H new ATOM 0 HE2 MET A 97 -8.446 -7.599 -6.256 1.00 62.54 H new ATOM 0 HE3 MET A 97 -7.952 -7.572 -7.965 1.00 62.54 H new ATOM 1562 N LYS A 98 -8.581 -14.093 -3.635 1.00 64.33 N ATOM 1563 CA LYS A 98 -8.485 -15.503 -3.174 1.00 61.02 C ATOM 1564 C LYS A 98 -7.053 -16.063 -3.310 1.00 63.13 C ATOM 1565 O LYS A 98 -6.835 -17.259 -3.106 1.00 30.43 O ATOM 1566 CB LYS A 98 -9.519 -16.411 -3.908 1.00 74.15 C ATOM 1567 CG LYS A 98 -10.998 -15.973 -3.754 1.00 22.15 C ATOM 1568 CD LYS A 98 -11.546 -16.111 -2.314 1.00 25.23 C ATOM 1569 CE LYS A 98 -11.545 -17.563 -1.809 1.00 15.32 C ATOM 1570 NZ LYS A 98 -12.339 -18.458 -2.683 1.00 51.13 N ATOM 0 H LYS A 98 -8.751 -13.439 -2.871 1.00 64.33 H new ATOM 0 HA LYS A 98 -8.730 -15.507 -2.112 1.00 61.02 H new ATOM 0 HB2 LYS A 98 -9.271 -16.435 -4.969 1.00 74.15 H new ATOM 0 HB3 LYS A 98 -9.416 -17.430 -3.534 1.00 74.15 H new ATOM 0 HG2 LYS A 98 -11.094 -14.934 -4.071 1.00 22.15 H new ATOM 0 HG3 LYS A 98 -11.615 -16.570 -4.426 1.00 22.15 H new ATOM 0 HD2 LYS A 98 -10.946 -15.498 -1.642 1.00 25.23 H new ATOM 0 HD3 LYS A 98 -12.563 -15.720 -2.279 1.00 25.23 H new ATOM 0 HE2 LYS A 98 -10.519 -17.927 -1.755 1.00 15.32 H new ATOM 0 HE3 LYS A 98 -11.948 -17.595 -0.797 1.00 15.32 H new ATOM 0 HZ1 LYS A 98 -12.424 -19.393 -2.236 1.00 51.13 H new ATOM 0 HZ2 LYS A 98 -13.287 -18.054 -2.824 1.00 51.13 H new ATOM 0 HZ3 LYS A 98 -11.864 -18.556 -3.603 1.00 51.13 H new ATOM 1584 N ASP A 99 -6.081 -15.175 -3.603 1.00 24.12 N ATOM 1585 CA ASP A 99 -4.663 -15.532 -3.795 1.00 42.34 C ATOM 1586 C ASP A 99 -3.924 -15.594 -2.445 1.00 62.33 C ATOM 1587 O ASP A 99 -2.859 -15.006 -2.301 1.00 11.21 O ATOM 1588 CB ASP A 99 -3.967 -14.493 -4.731 1.00 11.41 C ATOM 1589 CG ASP A 99 -4.374 -14.595 -6.202 1.00 4.45 C ATOM 1590 OD1 ASP A 99 -4.054 -15.621 -6.843 1.00 2.42 O ATOM 1591 OD2 ASP A 99 -4.956 -13.638 -6.745 1.00 61.32 O ATOM 0 H ASP A 99 -6.263 -14.177 -3.714 1.00 24.12 H new ATOM 0 HA ASP A 99 -4.622 -16.518 -4.258 1.00 42.34 H new ATOM 0 HB2 ASP A 99 -4.195 -13.489 -4.372 1.00 11.41 H new ATOM 0 HB3 ASP A 99 -2.887 -14.621 -4.656 1.00 11.41 H new ATOM 1596 N TYR A 100 -4.491 -16.340 -1.474 1.00 41.25 N ATOM 1597 CA TYR A 100 -3.902 -16.517 -0.125 1.00 63.10 C ATOM 1598 C TYR A 100 -2.446 -17.018 -0.187 1.00 42.44 C ATOM 1599 O TYR A 100 -1.603 -16.585 0.597 1.00 53.44 O ATOM 1600 CB TYR A 100 -4.768 -17.503 0.700 1.00 73.02 C ATOM 1601 CG TYR A 100 -6.257 -17.123 0.751 1.00 12.03 C ATOM 1602 CD1 TYR A 100 -6.657 -15.813 1.008 1.00 31.23 C ATOM 1603 CD2 TYR A 100 -7.259 -18.075 0.540 1.00 40.14 C ATOM 1604 CE1 TYR A 100 -7.991 -15.471 1.047 1.00 5.50 C ATOM 1605 CE2 TYR A 100 -8.595 -17.729 0.581 1.00 73.22 C ATOM 1606 CZ TYR A 100 -8.954 -16.427 0.837 1.00 50.23 C ATOM 1607 OH TYR A 100 -10.286 -16.078 0.888 1.00 30.32 O ATOM 0 H TYR A 100 -5.372 -16.839 -1.601 1.00 41.25 H new ATOM 0 HA TYR A 100 -3.889 -15.541 0.360 1.00 63.10 H new ATOM 0 HB2 TYR A 100 -4.671 -18.502 0.274 1.00 73.02 H new ATOM 0 HB3 TYR A 100 -4.379 -17.551 1.717 1.00 73.02 H new ATOM 0 HD1 TYR A 100 -5.909 -15.053 1.179 1.00 31.23 H new ATOM 0 HD2 TYR A 100 -6.983 -19.100 0.341 1.00 40.14 H new ATOM 0 HE1 TYR A 100 -8.280 -14.449 1.243 1.00 5.50 H new ATOM 0 HE2 TYR A 100 -9.355 -18.478 0.413 1.00 73.22 H new ATOM 0 HH TYR A 100 -10.391 -15.145 0.606 1.00 30.32 H new ATOM 1617 N THR A 101 -2.181 -17.898 -1.167 1.00 31.43 N ATOM 1618 CA THR A 101 -0.853 -18.473 -1.431 1.00 75.12 C ATOM 1619 C THR A 101 0.187 -17.388 -1.796 1.00 34.32 C ATOM 1620 O THR A 101 1.373 -17.547 -1.509 1.00 64.20 O ATOM 1621 CB THR A 101 -0.939 -19.522 -2.584 1.00 51.45 C ATOM 1622 OG1 THR A 101 -1.540 -18.914 -3.742 1.00 40.13 O ATOM 1623 CG2 THR A 101 -1.751 -20.764 -2.170 1.00 63.31 C ATOM 0 H THR A 101 -2.898 -18.235 -1.809 1.00 31.43 H new ATOM 0 HA THR A 101 -0.523 -18.959 -0.513 1.00 75.12 H new ATOM 0 HB THR A 101 0.074 -19.850 -2.815 1.00 51.45 H new ATOM 0 HG1 THR A 101 -1.739 -19.605 -4.408 1.00 40.13 H new ATOM 0 HG21 THR A 101 -1.787 -21.469 -3.001 1.00 63.31 H new ATOM 0 HG22 THR A 101 -1.277 -21.239 -1.311 1.00 63.31 H new ATOM 0 HG23 THR A 101 -2.765 -20.464 -1.905 1.00 63.31 H new ATOM 1631 N LYS A 102 -0.270 -16.301 -2.454 1.00 1.15 N ATOM 1632 CA LYS A 102 0.599 -15.165 -2.834 1.00 23.00 C ATOM 1633 C LYS A 102 0.665 -14.157 -1.679 1.00 75.22 C ATOM 1634 O LYS A 102 1.744 -13.690 -1.300 1.00 54.51 O ATOM 1635 CB LYS A 102 0.069 -14.468 -4.127 1.00 44.31 C ATOM 1636 CG LYS A 102 -0.455 -15.439 -5.200 1.00 23.20 C ATOM 1637 CD LYS A 102 0.581 -16.485 -5.666 1.00 55.22 C ATOM 1638 CE LYS A 102 -0.083 -17.608 -6.470 1.00 53.34 C ATOM 1639 NZ LYS A 102 0.917 -18.544 -7.035 1.00 2.14 N ATOM 0 H LYS A 102 -1.244 -16.186 -2.735 1.00 1.15 H new ATOM 0 HA LYS A 102 1.600 -15.545 -3.040 1.00 23.00 H new ATOM 0 HB2 LYS A 102 -0.732 -13.781 -3.853 1.00 44.31 H new ATOM 0 HB3 LYS A 102 0.871 -13.868 -4.557 1.00 44.31 H new ATOM 0 HG2 LYS A 102 -1.329 -15.959 -4.808 1.00 23.20 H new ATOM 0 HG3 LYS A 102 -0.788 -14.863 -6.064 1.00 23.20 H new ATOM 0 HD2 LYS A 102 1.342 -15.999 -6.277 1.00 55.22 H new ATOM 0 HD3 LYS A 102 1.089 -16.907 -4.799 1.00 55.22 H new ATOM 0 HE2 LYS A 102 -0.772 -18.156 -5.828 1.00 53.34 H new ATOM 0 HE3 LYS A 102 -0.674 -17.177 -7.278 1.00 53.34 H new ATOM 0 HZ1 LYS A 102 0.430 -19.290 -7.572 1.00 2.14 H new ATOM 0 HZ2 LYS A 102 1.560 -18.025 -7.667 1.00 2.14 H new ATOM 0 HZ3 LYS A 102 1.464 -18.975 -6.263 1.00 2.14 H new ATOM 1653 N ALA A 103 -0.526 -13.880 -1.114 1.00 51.40 N ATOM 1654 CA ALA A 103 -0.743 -12.862 -0.081 1.00 63.20 C ATOM 1655 C ALA A 103 0.136 -13.113 1.142 1.00 23.12 C ATOM 1656 O ALA A 103 0.822 -12.204 1.605 1.00 55.01 O ATOM 1657 CB ALA A 103 -2.229 -12.824 0.315 1.00 43.40 C ATOM 0 H ALA A 103 -1.381 -14.372 -1.373 1.00 51.40 H new ATOM 0 HA ALA A 103 -0.461 -11.893 -0.492 1.00 63.20 H new ATOM 0 HB1 ALA A 103 -2.382 -12.065 1.083 1.00 43.40 H new ATOM 0 HB2 ALA A 103 -2.833 -12.582 -0.560 1.00 43.40 H new ATOM 0 HB3 ALA A 103 -2.527 -13.798 0.703 1.00 43.40 H new ATOM 1663 N MET A 104 0.146 -14.376 1.602 1.00 64.45 N ATOM 1664 CA MET A 104 0.907 -14.811 2.787 1.00 13.32 C ATOM 1665 C MET A 104 2.404 -14.454 2.688 1.00 25.04 C ATOM 1666 O MET A 104 3.017 -14.065 3.690 1.00 10.05 O ATOM 1667 CB MET A 104 0.738 -16.336 3.006 1.00 31.41 C ATOM 1668 CG MET A 104 1.309 -17.237 1.899 1.00 13.02 C ATOM 1669 SD MET A 104 1.140 -18.991 2.278 1.00 13.44 S ATOM 1670 CE MET A 104 -0.622 -19.120 2.554 1.00 30.25 C ATOM 0 H MET A 104 -0.378 -15.130 1.158 1.00 64.45 H new ATOM 0 HA MET A 104 0.500 -14.272 3.643 1.00 13.32 H new ATOM 0 HB2 MET A 104 1.215 -16.604 3.949 1.00 31.41 H new ATOM 0 HB3 MET A 104 -0.325 -16.553 3.113 1.00 31.41 H new ATOM 0 HG2 MET A 104 0.799 -17.021 0.960 1.00 13.02 H new ATOM 0 HG3 MET A 104 2.363 -17.001 1.751 1.00 13.02 H new ATOM 0 HE1 MET A 104 -0.811 -19.786 3.396 1.00 30.25 H new ATOM 0 HE2 MET A 104 -1.029 -18.133 2.774 1.00 30.25 H new ATOM 0 HE3 MET A 104 -1.102 -19.520 1.661 1.00 30.25 H new ATOM 1680 N ASP A 105 2.971 -14.581 1.470 1.00 51.53 N ATOM 1681 CA ASP A 105 4.382 -14.255 1.204 1.00 32.31 C ATOM 1682 C ASP A 105 4.607 -12.744 1.249 1.00 73.15 C ATOM 1683 O ASP A 105 5.661 -12.307 1.671 1.00 24.53 O ATOM 1684 CB ASP A 105 4.855 -14.811 -0.169 1.00 61.22 C ATOM 1685 CG ASP A 105 5.006 -16.337 -0.182 1.00 33.15 C ATOM 1686 OD1 ASP A 105 4.007 -17.037 -0.422 1.00 45.12 O ATOM 1687 OD2 ASP A 105 6.126 -16.843 0.064 1.00 53.20 O ATOM 0 H ASP A 105 2.464 -14.911 0.649 1.00 51.53 H new ATOM 0 HA ASP A 105 4.972 -14.732 1.987 1.00 32.31 H new ATOM 0 HB2 ASP A 105 4.142 -14.516 -0.939 1.00 61.22 H new ATOM 0 HB3 ASP A 105 5.811 -14.355 -0.429 1.00 61.22 H new ATOM 1692 N VAL A 106 3.590 -11.958 0.841 1.00 11.33 N ATOM 1693 CA VAL A 106 3.710 -10.489 0.736 1.00 44.45 C ATOM 1694 C VAL A 106 3.553 -9.846 2.138 1.00 63.22 C ATOM 1695 O VAL A 106 4.224 -8.855 2.456 1.00 1.42 O ATOM 1696 CB VAL A 106 2.672 -9.914 -0.304 1.00 62.31 C ATOM 1697 CG1 VAL A 106 2.841 -8.395 -0.506 1.00 55.45 C ATOM 1698 CG2 VAL A 106 2.784 -10.652 -1.659 1.00 13.53 C ATOM 0 H VAL A 106 2.673 -12.318 0.578 1.00 11.33 H new ATOM 0 HA VAL A 106 4.702 -10.235 0.363 1.00 44.45 H new ATOM 0 HB VAL A 106 1.677 -10.084 0.108 1.00 62.31 H new ATOM 0 HG11 VAL A 106 2.107 -8.040 -1.230 1.00 55.45 H new ATOM 0 HG12 VAL A 106 2.691 -7.883 0.444 1.00 55.45 H new ATOM 0 HG13 VAL A 106 3.845 -8.187 -0.876 1.00 55.45 H new ATOM 0 HG21 VAL A 106 2.059 -10.238 -2.360 1.00 13.53 H new ATOM 0 HG22 VAL A 106 3.789 -10.525 -2.060 1.00 13.53 H new ATOM 0 HG23 VAL A 106 2.583 -11.713 -1.513 1.00 13.53 H new ATOM 1708 N TYR A 107 2.693 -10.464 2.986 1.00 11.14 N ATOM 1709 CA TYR A 107 2.613 -10.165 4.436 1.00 72.13 C ATOM 1710 C TYR A 107 3.979 -10.455 5.100 1.00 74.42 C ATOM 1711 O TYR A 107 4.503 -9.643 5.878 1.00 34.24 O ATOM 1712 CB TYR A 107 1.510 -11.024 5.135 1.00 53.45 C ATOM 1713 CG TYR A 107 0.048 -10.620 4.841 1.00 2.43 C ATOM 1714 CD1 TYR A 107 -0.417 -9.334 5.138 1.00 64.14 C ATOM 1715 CD2 TYR A 107 -0.875 -11.537 4.320 1.00 52.30 C ATOM 1716 CE1 TYR A 107 -1.736 -8.977 4.916 1.00 71.40 C ATOM 1717 CE2 TYR A 107 -2.195 -11.178 4.092 1.00 12.13 C ATOM 1718 CZ TYR A 107 -2.619 -9.902 4.395 1.00 24.34 C ATOM 1719 OH TYR A 107 -3.930 -9.542 4.172 1.00 14.41 O ATOM 0 H TYR A 107 2.036 -11.183 2.683 1.00 11.14 H new ATOM 0 HA TYR A 107 2.353 -9.113 4.550 1.00 72.13 H new ATOM 0 HB2 TYR A 107 1.645 -12.064 4.838 1.00 53.45 H new ATOM 0 HB3 TYR A 107 1.669 -10.977 6.212 1.00 53.45 H new ATOM 0 HD1 TYR A 107 0.267 -8.606 5.549 1.00 64.14 H new ATOM 0 HD2 TYR A 107 -0.552 -12.542 4.092 1.00 52.30 H new ATOM 0 HE1 TYR A 107 -2.073 -7.978 5.150 1.00 71.40 H new ATOM 0 HE2 TYR A 107 -2.888 -11.896 3.679 1.00 12.13 H new ATOM 0 HH TYR A 107 -4.421 -10.306 3.802 1.00 14.41 H new ATOM 1729 N GLN A 108 4.549 -11.619 4.733 1.00 14.44 N ATOM 1730 CA GLN A 108 5.841 -12.094 5.248 1.00 2.02 C ATOM 1731 C GLN A 108 6.961 -11.140 4.797 1.00 33.31 C ATOM 1732 O GLN A 108 7.856 -10.845 5.573 1.00 64.30 O ATOM 1733 CB GLN A 108 6.097 -13.566 4.777 1.00 62.42 C ATOM 1734 CG GLN A 108 7.210 -14.356 5.527 1.00 42.12 C ATOM 1735 CD GLN A 108 8.627 -14.177 4.966 1.00 51.12 C ATOM 1736 OE1 GLN A 108 9.060 -14.932 4.096 1.00 43.41 O ATOM 1737 NE2 GLN A 108 9.344 -13.177 5.441 1.00 24.15 N ATOM 0 H GLN A 108 4.119 -12.259 4.065 1.00 14.44 H new ATOM 0 HA GLN A 108 5.827 -12.098 6.338 1.00 2.02 H new ATOM 0 HB2 GLN A 108 5.163 -14.121 4.871 1.00 62.42 H new ATOM 0 HB3 GLN A 108 6.350 -13.545 3.717 1.00 62.42 H new ATOM 0 HG2 GLN A 108 7.209 -14.050 6.573 1.00 42.12 H new ATOM 0 HG3 GLN A 108 6.959 -15.416 5.505 1.00 42.12 H new ATOM 0 HE21 GLN A 108 8.956 -12.569 6.162 1.00 24.15 H new ATOM 0 HE22 GLN A 108 10.286 -13.012 5.087 1.00 24.15 H new ATOM 1746 N LYS A 109 6.868 -10.631 3.543 1.00 61.14 N ATOM 1747 CA LYS A 109 7.844 -9.674 2.991 1.00 23.10 C ATOM 1748 C LYS A 109 7.744 -8.310 3.678 1.00 2.41 C ATOM 1749 O LYS A 109 8.760 -7.641 3.850 1.00 61.41 O ATOM 1750 CB LYS A 109 7.714 -9.515 1.446 1.00 64.23 C ATOM 1751 CG LYS A 109 8.105 -10.759 0.615 1.00 53.11 C ATOM 1752 CD LYS A 109 9.467 -11.371 1.014 1.00 54.00 C ATOM 1753 CE LYS A 109 10.656 -10.405 0.858 1.00 12.22 C ATOM 1754 NZ LYS A 109 11.940 -11.039 1.274 1.00 34.04 N ATOM 0 H LYS A 109 6.118 -10.874 2.895 1.00 61.14 H new ATOM 0 HA LYS A 109 8.830 -10.092 3.195 1.00 23.10 H new ATOM 0 HB2 LYS A 109 6.683 -9.251 1.211 1.00 64.23 H new ATOM 0 HB3 LYS A 109 8.337 -8.678 1.130 1.00 64.23 H new ATOM 0 HG2 LYS A 109 7.330 -11.517 0.726 1.00 53.11 H new ATOM 0 HG3 LYS A 109 8.135 -10.486 -0.440 1.00 53.11 H new ATOM 0 HD2 LYS A 109 9.415 -11.703 2.051 1.00 54.00 H new ATOM 0 HD3 LYS A 109 9.649 -12.256 0.405 1.00 54.00 H new ATOM 0 HE2 LYS A 109 10.729 -10.083 -0.181 1.00 12.22 H new ATOM 0 HE3 LYS A 109 10.480 -9.512 1.457 1.00 12.22 H new ATOM 0 HZ1 LYS A 109 12.432 -10.417 1.947 1.00 34.04 H new ATOM 0 HZ2 LYS A 109 11.744 -11.954 1.727 1.00 34.04 H new ATOM 0 HZ3 LYS A 109 12.540 -11.188 0.438 1.00 34.04 H new ATOM 1768 N ALA A 110 6.525 -7.916 4.072 1.00 1.21 N ATOM 1769 CA ALA A 110 6.302 -6.704 4.882 1.00 33.31 C ATOM 1770 C ALA A 110 7.034 -6.824 6.236 1.00 74.13 C ATOM 1771 O ALA A 110 7.765 -5.910 6.649 1.00 71.03 O ATOM 1772 CB ALA A 110 4.798 -6.483 5.082 1.00 72.22 C ATOM 0 H ALA A 110 5.670 -8.422 3.842 1.00 1.21 H new ATOM 0 HA ALA A 110 6.709 -5.839 4.358 1.00 33.31 H new ATOM 0 HB1 ALA A 110 4.638 -5.586 5.681 1.00 72.22 H new ATOM 0 HB2 ALA A 110 4.316 -6.362 4.112 1.00 72.22 H new ATOM 0 HB3 ALA A 110 4.369 -7.343 5.595 1.00 72.22 H new ATOM 1778 N LEU A 111 6.856 -7.992 6.889 1.00 50.34 N ATOM 1779 CA LEU A 111 7.556 -8.341 8.151 1.00 51.45 C ATOM 1780 C LEU A 111 9.089 -8.456 7.934 1.00 43.13 C ATOM 1781 O LEU A 111 9.884 -8.113 8.815 1.00 0.03 O ATOM 1782 CB LEU A 111 7.008 -9.691 8.692 1.00 21.42 C ATOM 1783 CG LEU A 111 5.477 -9.741 9.000 1.00 34.12 C ATOM 1784 CD1 LEU A 111 5.002 -11.189 9.254 1.00 31.31 C ATOM 1785 CD2 LEU A 111 5.117 -8.818 10.181 1.00 74.23 C ATOM 0 H LEU A 111 6.224 -8.722 6.559 1.00 50.34 H new ATOM 0 HA LEU A 111 7.372 -7.545 8.873 1.00 51.45 H new ATOM 0 HB2 LEU A 111 7.237 -10.470 7.964 1.00 21.42 H new ATOM 0 HB3 LEU A 111 7.549 -9.939 9.605 1.00 21.42 H new ATOM 0 HG LEU A 111 4.950 -9.373 8.120 1.00 34.12 H new ATOM 0 HD11 LEU A 111 3.933 -11.189 9.465 1.00 31.31 H new ATOM 0 HD12 LEU A 111 5.197 -11.796 8.370 1.00 31.31 H new ATOM 0 HD13 LEU A 111 5.540 -11.604 10.106 1.00 31.31 H new ATOM 0 HD21 LEU A 111 4.045 -8.873 10.372 1.00 74.23 H new ATOM 0 HD22 LEU A 111 5.661 -9.136 11.070 1.00 74.23 H new ATOM 0 HD23 LEU A 111 5.389 -7.791 9.937 1.00 74.23 H new ATOM 1797 N ASP A 112 9.461 -8.939 6.731 1.00 10.04 N ATOM 1798 CA ASP A 112 10.857 -9.214 6.324 1.00 34.15 C ATOM 1799 C ASP A 112 11.659 -7.905 6.228 1.00 71.54 C ATOM 1800 O ASP A 112 12.842 -7.868 6.570 1.00 34.25 O ATOM 1801 CB ASP A 112 10.848 -9.965 4.960 1.00 11.05 C ATOM 1802 CG ASP A 112 12.221 -10.467 4.482 1.00 65.41 C ATOM 1803 OD1 ASP A 112 12.945 -9.714 3.796 1.00 54.45 O ATOM 1804 OD2 ASP A 112 12.567 -11.639 4.746 1.00 42.22 O ATOM 0 H ASP A 112 8.785 -9.154 5.998 1.00 10.04 H new ATOM 0 HA ASP A 112 11.340 -9.841 7.074 1.00 34.15 H new ATOM 0 HB2 ASP A 112 10.173 -10.818 5.037 1.00 11.05 H new ATOM 0 HB3 ASP A 112 10.437 -9.301 4.200 1.00 11.05 H new ATOM 1809 N LEU A 113 10.984 -6.829 5.779 1.00 61.22 N ATOM 1810 CA LEU A 113 11.588 -5.492 5.673 1.00 52.21 C ATOM 1811 C LEU A 113 11.893 -4.921 7.076 1.00 21.52 C ATOM 1812 O LEU A 113 13.011 -4.438 7.320 1.00 73.32 O ATOM 1813 CB LEU A 113 10.671 -4.540 4.866 1.00 52.35 C ATOM 1814 CG LEU A 113 10.350 -4.965 3.396 1.00 4.10 C ATOM 1815 CD1 LEU A 113 9.451 -3.926 2.698 1.00 52.04 C ATOM 1816 CD2 LEU A 113 11.635 -5.241 2.584 1.00 21.30 C ATOM 0 H LEU A 113 10.009 -6.864 5.481 1.00 61.22 H new ATOM 0 HA LEU A 113 12.532 -5.580 5.135 1.00 52.21 H new ATOM 0 HB2 LEU A 113 9.729 -4.435 5.405 1.00 52.35 H new ATOM 0 HB3 LEU A 113 11.137 -3.555 4.843 1.00 52.35 H new ATOM 0 HG LEU A 113 9.796 -5.902 3.443 1.00 4.10 H new ATOM 0 HD11 LEU A 113 9.245 -4.250 1.678 1.00 52.04 H new ATOM 0 HD12 LEU A 113 8.513 -3.831 3.245 1.00 52.04 H new ATOM 0 HD13 LEU A 113 9.958 -2.961 2.677 1.00 52.04 H new ATOM 0 HD21 LEU A 113 11.368 -5.533 1.568 1.00 21.30 H new ATOM 0 HD22 LEU A 113 12.247 -4.339 2.553 1.00 21.30 H new ATOM 0 HD23 LEU A 113 12.198 -6.045 3.057 1.00 21.30 H new ATOM 1828 N ASP A 114 10.891 -4.986 7.991 1.00 34.42 N ATOM 1829 CA ASP A 114 11.091 -4.662 9.426 1.00 71.25 C ATOM 1830 C ASP A 114 9.898 -5.147 10.279 1.00 73.33 C ATOM 1831 O ASP A 114 8.735 -5.086 9.846 1.00 62.15 O ATOM 1832 CB ASP A 114 11.334 -3.139 9.667 1.00 55.12 C ATOM 1833 CG ASP A 114 11.929 -2.837 11.059 1.00 41.34 C ATOM 1834 OD1 ASP A 114 11.165 -2.694 12.036 1.00 21.01 O ATOM 1835 OD2 ASP A 114 13.176 -2.759 11.188 1.00 11.12 O ATOM 0 H ASP A 114 9.936 -5.260 7.759 1.00 34.42 H new ATOM 0 HA ASP A 114 11.991 -5.193 9.737 1.00 71.25 H new ATOM 0 HB2 ASP A 114 12.008 -2.758 8.899 1.00 55.12 H new ATOM 0 HB3 ASP A 114 10.391 -2.604 9.557 1.00 55.12 H new ATOM 1840 N SER A 115 10.225 -5.547 11.526 1.00 30.40 N ATOM 1841 CA SER A 115 9.283 -6.098 12.522 1.00 62.52 C ATOM 1842 C SER A 115 8.112 -5.140 12.823 1.00 51.40 C ATOM 1843 O SER A 115 7.004 -5.591 13.113 1.00 21.30 O ATOM 1844 CB SER A 115 10.066 -6.434 13.812 1.00 50.44 C ATOM 1845 OG SER A 115 10.751 -5.295 14.313 1.00 52.03 O ATOM 0 H SER A 115 11.181 -5.494 11.878 1.00 30.40 H new ATOM 0 HA SER A 115 8.835 -7.002 12.108 1.00 62.52 H new ATOM 0 HB2 SER A 115 9.378 -6.809 14.570 1.00 50.44 H new ATOM 0 HB3 SER A 115 10.782 -7.231 13.608 1.00 50.44 H new ATOM 0 HG SER A 115 11.235 -5.538 15.130 1.00 52.03 H new ATOM 1851 N SER A 116 8.359 -3.815 12.676 1.00 3.24 N ATOM 1852 CA SER A 116 7.346 -2.754 12.899 1.00 15.41 C ATOM 1853 C SER A 116 6.094 -2.934 12.007 1.00 31.43 C ATOM 1854 O SER A 116 5.060 -2.304 12.239 1.00 30.32 O ATOM 1855 CB SER A 116 7.985 -1.374 12.650 1.00 35.20 C ATOM 1856 OG SER A 116 8.590 -1.317 11.368 1.00 51.04 O ATOM 0 H SER A 116 9.270 -3.451 12.398 1.00 3.24 H new ATOM 0 HA SER A 116 7.010 -2.829 13.933 1.00 15.41 H new ATOM 0 HB2 SER A 116 7.225 -0.597 12.732 1.00 35.20 H new ATOM 0 HB3 SER A 116 8.732 -1.171 13.418 1.00 35.20 H new ATOM 0 HG SER A 116 9.481 -1.723 11.408 1.00 51.04 H new ATOM 1862 N CYS A 117 6.202 -3.806 10.992 1.00 10.44 N ATOM 1863 CA CYS A 117 5.082 -4.178 10.126 1.00 33.11 C ATOM 1864 C CYS A 117 4.204 -5.305 10.733 1.00 44.01 C ATOM 1865 O CYS A 117 3.512 -5.978 9.982 1.00 64.54 O ATOM 1866 CB CYS A 117 5.585 -4.564 8.729 1.00 22.12 C ATOM 1867 SG CYS A 117 4.298 -4.431 7.469 1.00 2.10 S ATOM 0 H CYS A 117 7.076 -4.273 10.751 1.00 10.44 H new ATOM 0 HA CYS A 117 4.442 -3.300 10.039 1.00 33.11 H new ATOM 0 HB2 CYS A 117 6.422 -3.921 8.458 1.00 22.12 H new ATOM 0 HB3 CYS A 117 5.962 -5.586 8.752 1.00 22.12 H new ATOM 0 HG CYS A 117 3.234 -5.063 7.867 1.00 2.10 H new ATOM 1873 N LYS A 118 4.286 -5.548 12.073 1.00 34.12 N ATOM 1874 CA LYS A 118 3.430 -6.551 12.805 1.00 63.55 C ATOM 1875 C LYS A 118 1.936 -6.611 12.350 1.00 20.22 C ATOM 1876 O LYS A 118 1.301 -7.668 12.479 1.00 52.34 O ATOM 1877 CB LYS A 118 3.459 -6.285 14.343 1.00 2.34 C ATOM 1878 CG LYS A 118 4.813 -6.540 15.039 1.00 74.23 C ATOM 1879 CD LYS A 118 5.322 -7.996 14.887 1.00 61.22 C ATOM 1880 CE LYS A 118 4.360 -9.029 15.502 1.00 62.02 C ATOM 1881 NZ LYS A 118 4.853 -10.420 15.327 1.00 25.53 N ATOM 0 H LYS A 118 4.943 -5.060 12.682 1.00 34.12 H new ATOM 0 HA LYS A 118 3.876 -7.513 12.553 1.00 63.55 H new ATOM 0 HB2 LYS A 118 3.169 -5.249 14.520 1.00 2.34 H new ATOM 0 HB3 LYS A 118 2.704 -6.912 14.816 1.00 2.34 H new ATOM 0 HG2 LYS A 118 5.558 -5.858 14.628 1.00 74.23 H new ATOM 0 HG3 LYS A 118 4.717 -6.306 16.099 1.00 74.23 H new ATOM 0 HD2 LYS A 118 5.461 -8.219 13.829 1.00 61.22 H new ATOM 0 HD3 LYS A 118 6.299 -8.087 15.363 1.00 61.22 H new ATOM 0 HE2 LYS A 118 4.234 -8.820 16.564 1.00 62.02 H new ATOM 0 HE3 LYS A 118 3.378 -8.931 15.039 1.00 62.02 H new ATOM 0 HZ1 LYS A 118 4.177 -11.084 15.755 1.00 25.53 H new ATOM 0 HZ2 LYS A 118 4.949 -10.629 14.313 1.00 25.53 H new ATOM 0 HZ3 LYS A 118 5.778 -10.521 15.791 1.00 25.53 H new ATOM 1895 N GLU A 119 1.393 -5.490 11.825 1.00 71.33 N ATOM 1896 CA GLU A 119 0.036 -5.440 11.213 1.00 31.51 C ATOM 1897 C GLU A 119 -0.170 -6.555 10.145 1.00 11.23 C ATOM 1898 O GLU A 119 -1.232 -7.184 10.070 1.00 54.12 O ATOM 1899 CB GLU A 119 -0.199 -4.039 10.586 1.00 50.10 C ATOM 1900 CG GLU A 119 0.898 -3.594 9.587 1.00 23.50 C ATOM 1901 CD GLU A 119 0.650 -2.212 8.965 1.00 61.24 C ATOM 1902 OE1 GLU A 119 0.458 -1.242 9.726 1.00 52.01 O ATOM 1903 OE2 GLU A 119 0.694 -2.075 7.719 1.00 23.41 O ATOM 0 H GLU A 119 1.878 -4.593 11.811 1.00 71.33 H new ATOM 0 HA GLU A 119 -0.694 -5.618 12.003 1.00 31.51 H new ATOM 0 HB2 GLU A 119 -1.161 -4.040 10.074 1.00 50.10 H new ATOM 0 HB3 GLU A 119 -0.265 -3.302 11.387 1.00 50.10 H new ATOM 0 HG2 GLU A 119 1.860 -3.583 10.100 1.00 23.50 H new ATOM 0 HG3 GLU A 119 0.970 -4.333 8.789 1.00 23.50 H new ATOM 1910 N ALA A 120 0.883 -6.803 9.355 1.00 51.44 N ATOM 1911 CA ALA A 120 0.917 -7.850 8.324 1.00 73.45 C ATOM 1912 C ALA A 120 0.949 -9.267 8.927 1.00 55.43 C ATOM 1913 O ALA A 120 0.528 -10.213 8.267 1.00 52.32 O ATOM 1914 CB ALA A 120 2.125 -7.625 7.411 1.00 52.40 C ATOM 0 H ALA A 120 1.752 -6.272 9.415 1.00 51.44 H new ATOM 0 HA ALA A 120 -0.003 -7.779 7.743 1.00 73.45 H new ATOM 0 HB1 ALA A 120 2.152 -8.401 6.646 1.00 52.40 H new ATOM 0 HB2 ALA A 120 2.044 -6.648 6.935 1.00 52.40 H new ATOM 0 HB3 ALA A 120 3.040 -7.666 8.002 1.00 52.40 H new ATOM 1920 N ALA A 121 1.433 -9.407 10.183 1.00 73.21 N ATOM 1921 CA ALA A 121 1.478 -10.716 10.875 1.00 64.23 C ATOM 1922 C ALA A 121 0.061 -11.152 11.270 1.00 32.34 C ATOM 1923 O ALA A 121 -0.307 -12.321 11.127 1.00 54.21 O ATOM 1924 CB ALA A 121 2.393 -10.651 12.104 1.00 44.31 C ATOM 0 H ALA A 121 1.797 -8.631 10.737 1.00 73.21 H new ATOM 0 HA ALA A 121 1.891 -11.458 10.191 1.00 64.23 H new ATOM 0 HB1 ALA A 121 2.411 -11.623 12.596 1.00 44.31 H new ATOM 0 HB2 ALA A 121 3.403 -10.384 11.792 1.00 44.31 H new ATOM 0 HB3 ALA A 121 2.017 -9.900 12.798 1.00 44.31 H new ATOM 1930 N ASP A 122 -0.732 -10.171 11.744 1.00 22.53 N ATOM 1931 CA ASP A 122 -2.166 -10.352 12.034 1.00 44.33 C ATOM 1932 C ASP A 122 -2.923 -10.759 10.749 1.00 73.10 C ATOM 1933 O ASP A 122 -3.729 -11.702 10.756 1.00 23.21 O ATOM 1934 CB ASP A 122 -2.750 -9.040 12.625 1.00 13.02 C ATOM 1935 CG ASP A 122 -4.273 -9.102 12.866 1.00 2.34 C ATOM 1936 OD1 ASP A 122 -4.707 -9.763 13.828 1.00 42.12 O ATOM 1937 OD2 ASP A 122 -5.047 -8.505 12.086 1.00 32.41 O ATOM 0 H ASP A 122 -0.394 -9.228 11.937 1.00 22.53 H new ATOM 0 HA ASP A 122 -2.287 -11.150 12.767 1.00 44.33 H new ATOM 0 HB2 ASP A 122 -2.249 -8.820 13.568 1.00 13.02 H new ATOM 0 HB3 ASP A 122 -2.530 -8.215 11.947 1.00 13.02 H new ATOM 1942 N GLY A 123 -2.611 -10.052 9.643 1.00 2.43 N ATOM 1943 CA GLY A 123 -3.202 -10.338 8.333 1.00 33.52 C ATOM 1944 C GLY A 123 -2.815 -11.709 7.784 1.00 40.24 C ATOM 1945 O GLY A 123 -3.627 -12.379 7.143 1.00 52.05 O ATOM 0 H GLY A 123 -1.949 -9.276 9.639 1.00 2.43 H new ATOM 0 HA2 GLY A 123 -4.288 -10.278 8.411 1.00 33.52 H new ATOM 0 HA3 GLY A 123 -2.890 -9.570 7.626 1.00 33.52 H new ATOM 1949 N TYR A 124 -1.565 -12.118 8.063 1.00 4.01 N ATOM 1950 CA TYR A 124 -1.012 -13.412 7.630 1.00 1.23 C ATOM 1951 C TYR A 124 -1.746 -14.589 8.299 1.00 51.33 C ATOM 1952 O TYR A 124 -2.232 -15.489 7.608 1.00 10.33 O ATOM 1953 CB TYR A 124 0.511 -13.445 7.935 1.00 62.54 C ATOM 1954 CG TYR A 124 1.203 -14.801 7.728 1.00 61.22 C ATOM 1955 CD1 TYR A 124 0.958 -15.586 6.600 1.00 61.42 C ATOM 1956 CD2 TYR A 124 2.093 -15.301 8.675 1.00 71.14 C ATOM 1957 CE1 TYR A 124 1.569 -16.812 6.435 1.00 65.10 C ATOM 1958 CE2 TYR A 124 2.709 -16.521 8.508 1.00 1.04 C ATOM 1959 CZ TYR A 124 2.441 -17.275 7.391 1.00 72.44 C ATOM 1960 OH TYR A 124 3.051 -18.503 7.230 1.00 2.21 O ATOM 0 H TYR A 124 -0.905 -11.555 8.600 1.00 4.01 H new ATOM 0 HA TYR A 124 -1.161 -13.520 6.556 1.00 1.23 H new ATOM 0 HB2 TYR A 124 1.005 -12.706 7.305 1.00 62.54 H new ATOM 0 HB3 TYR A 124 0.663 -13.135 8.969 1.00 62.54 H new ATOM 0 HD1 TYR A 124 0.277 -15.227 5.842 1.00 61.42 H new ATOM 0 HD2 TYR A 124 2.305 -14.719 9.560 1.00 71.14 H new ATOM 0 HE1 TYR A 124 1.363 -17.406 5.557 1.00 65.10 H new ATOM 0 HE2 TYR A 124 3.401 -16.884 9.253 1.00 1.04 H new ATOM 0 HH TYR A 124 3.638 -18.680 7.995 1.00 2.21 H new ATOM 1970 N GLN A 125 -1.831 -14.557 9.640 1.00 62.40 N ATOM 1971 CA GLN A 125 -2.529 -15.589 10.450 1.00 44.02 C ATOM 1972 C GLN A 125 -4.014 -15.748 10.050 1.00 53.30 C ATOM 1973 O GLN A 125 -4.603 -16.823 10.231 1.00 52.10 O ATOM 1974 CB GLN A 125 -2.368 -15.259 11.970 1.00 4.21 C ATOM 1975 CG GLN A 125 -1.118 -15.882 12.644 1.00 5.22 C ATOM 1976 CD GLN A 125 0.168 -15.773 11.818 1.00 13.31 C ATOM 1977 OE1 GLN A 125 0.879 -14.665 11.942 1.00 73.51 O flip ATOM 1978 NE2 GLN A 125 0.503 -16.676 11.050 1.00 63.21 N flip ATOM 0 H GLN A 125 -1.417 -13.813 10.202 1.00 62.40 H new ATOM 0 HA GLN A 125 -2.063 -16.553 10.248 1.00 44.02 H new ATOM 0 HB2 GLN A 125 -2.326 -14.176 12.089 1.00 4.21 H new ATOM 0 HB3 GLN A 125 -3.257 -15.603 12.498 1.00 4.21 H new ATOM 0 HG2 GLN A 125 -0.959 -15.396 13.607 1.00 5.22 H new ATOM 0 HG3 GLN A 125 -1.317 -16.934 12.847 1.00 5.22 H new ATOM 0 HE21 GLN A 125 -0.066 -17.519 10.976 1.00 63.21 H new ATOM 0 HE22 GLN A 125 1.349 -16.580 10.488 1.00 63.21 H new ATOM 1987 N ARG A 126 -4.590 -14.682 9.486 1.00 1.33 N ATOM 1988 CA ARG A 126 -5.947 -14.700 8.927 1.00 4.25 C ATOM 1989 C ARG A 126 -5.944 -15.309 7.498 1.00 14.20 C ATOM 1990 O ARG A 126 -6.871 -16.035 7.125 1.00 40.33 O ATOM 1991 CB ARG A 126 -6.491 -13.254 8.896 1.00 62.33 C ATOM 1992 CG ARG A 126 -7.928 -13.099 8.352 1.00 62.53 C ATOM 1993 CD ARG A 126 -8.283 -11.631 8.072 1.00 14.13 C ATOM 1994 NE ARG A 126 -7.366 -11.050 7.074 1.00 71.22 N ATOM 1995 CZ ARG A 126 -6.690 -9.898 7.200 1.00 5.03 C ATOM 1996 NH1 ARG A 126 -6.806 -9.137 8.287 1.00 42.25 N ATOM 1997 NH2 ARG A 126 -5.871 -9.529 6.229 1.00 72.45 N ATOM 0 H ARG A 126 -4.126 -13.777 9.404 1.00 1.33 H new ATOM 0 HA ARG A 126 -6.589 -15.321 9.552 1.00 4.25 H new ATOM 0 HB2 ARG A 126 -6.458 -12.850 9.908 1.00 62.33 H new ATOM 0 HB3 ARG A 126 -5.822 -12.645 8.287 1.00 62.33 H new ATOM 0 HG2 ARG A 126 -8.033 -13.678 7.435 1.00 62.53 H new ATOM 0 HG3 ARG A 126 -8.635 -13.512 9.072 1.00 62.53 H new ATOM 0 HD2 ARG A 126 -9.310 -11.563 7.712 1.00 14.13 H new ATOM 0 HD3 ARG A 126 -8.231 -11.057 8.997 1.00 14.13 H new ATOM 0 HE ARG A 126 -7.233 -11.572 6.208 1.00 71.22 H new ATOM 0 HH11 ARG A 126 -7.420 -9.426 9.049 1.00 42.25 H new ATOM 0 HH12 ARG A 126 -6.281 -8.265 8.358 1.00 42.25 H new ATOM 0 HH21 ARG A 126 -5.762 -10.117 5.403 1.00 72.45 H new ATOM 0 HH22 ARG A 126 -5.348 -8.656 6.307 1.00 72.45 H new ATOM 2011 N CYS A 127 -4.871 -15.031 6.731 1.00 13.30 N ATOM 2012 CA CYS A 127 -4.772 -15.384 5.294 1.00 75.33 C ATOM 2013 C CYS A 127 -4.525 -16.892 5.108 1.00 41.41 C ATOM 2014 O CYS A 127 -5.046 -17.514 4.169 1.00 15.01 O ATOM 2015 CB CYS A 127 -3.632 -14.574 4.632 1.00 71.03 C ATOM 2016 SG CYS A 127 -3.512 -14.772 2.843 1.00 44.01 S ATOM 0 H CYS A 127 -4.044 -14.554 7.089 1.00 13.30 H new ATOM 0 HA CYS A 127 -5.719 -15.135 4.815 1.00 75.33 H new ATOM 0 HB2 CYS A 127 -3.775 -13.518 4.859 1.00 71.03 H new ATOM 0 HB3 CYS A 127 -2.684 -14.871 5.082 1.00 71.03 H new ATOM 0 HG CYS A 127 -3.875 -13.669 2.259 1.00 44.01 H new ATOM 2022 N MET A 128 -3.723 -17.474 6.022 1.00 73.14 N ATOM 2023 CA MET A 128 -3.412 -18.916 6.016 1.00 52.24 C ATOM 2024 C MET A 128 -4.659 -19.749 6.370 1.00 43.35 C ATOM 2025 O MET A 128 -4.970 -20.713 5.676 1.00 61.12 O ATOM 2026 CB MET A 128 -2.238 -19.259 6.978 1.00 71.44 C ATOM 2027 CG MET A 128 -2.411 -18.770 8.423 1.00 63.22 C ATOM 2028 SD MET A 128 -1.205 -19.474 9.564 1.00 44.52 S ATOM 2029 CE MET A 128 -1.712 -21.198 9.608 1.00 3.04 C ATOM 0 H MET A 128 -3.275 -16.960 6.781 1.00 73.14 H new ATOM 0 HA MET A 128 -3.097 -19.173 5.005 1.00 52.24 H new ATOM 0 HB2 MET A 128 -2.105 -20.341 6.991 1.00 71.44 H new ATOM 0 HB3 MET A 128 -1.321 -18.830 6.574 1.00 71.44 H new ATOM 0 HG2 MET A 128 -2.329 -17.683 8.444 1.00 63.22 H new ATOM 0 HG3 MET A 128 -3.415 -19.020 8.766 1.00 63.22 H new ATOM 0 HE1 MET A 128 -1.314 -21.672 10.505 1.00 3.04 H new ATOM 0 HE2 MET A 128 -2.800 -21.257 9.619 1.00 3.04 H new ATOM 0 HE3 MET A 128 -1.330 -21.712 8.726 1.00 3.04 H new ATOM 2039 N MET A 129 -5.393 -19.350 7.432 1.00 75.43 N ATOM 2040 CA MET A 129 -6.586 -20.098 7.896 1.00 41.11 C ATOM 2041 C MET A 129 -7.767 -19.917 6.924 1.00 72.22 C ATOM 2042 O MET A 129 -8.704 -20.714 6.930 1.00 31.45 O ATOM 2043 CB MET A 129 -7.009 -19.674 9.332 1.00 63.14 C ATOM 2044 CG MET A 129 -7.595 -18.259 9.459 1.00 4.32 C ATOM 2045 SD MET A 129 -8.383 -17.966 11.054 1.00 43.51 S ATOM 2046 CE MET A 129 -9.774 -19.104 10.990 1.00 30.51 C ATOM 0 H MET A 129 -5.183 -18.518 7.983 1.00 75.43 H new ATOM 0 HA MET A 129 -6.310 -21.152 7.921 1.00 41.11 H new ATOM 0 HB2 MET A 129 -7.746 -20.388 9.700 1.00 63.14 H new ATOM 0 HB3 MET A 129 -6.139 -19.748 9.985 1.00 63.14 H new ATOM 0 HG2 MET A 129 -6.800 -17.528 9.312 1.00 4.32 H new ATOM 0 HG3 MET A 129 -8.324 -18.101 8.665 1.00 4.32 H new ATOM 0 HE1 MET A 129 -10.553 -18.766 11.674 1.00 30.51 H new ATOM 0 HE2 MET A 129 -10.171 -19.137 9.975 1.00 30.51 H new ATOM 0 HE3 MET A 129 -9.443 -20.100 11.282 1.00 30.51 H new ATOM 2056 N ALA A 130 -7.684 -18.858 6.092 1.00 40.41 N ATOM 2057 CA ALA A 130 -8.703 -18.514 5.088 1.00 34.42 C ATOM 2058 C ALA A 130 -8.886 -19.631 4.044 1.00 73.42 C ATOM 2059 O ALA A 130 -10.019 -19.989 3.701 1.00 0.44 O ATOM 2060 CB ALA A 130 -8.331 -17.189 4.413 1.00 50.10 C ATOM 0 H ALA A 130 -6.895 -18.211 6.102 1.00 40.41 H new ATOM 0 HA ALA A 130 -9.660 -18.403 5.599 1.00 34.42 H new ATOM 0 HB1 ALA A 130 -9.086 -16.935 3.669 1.00 50.10 H new ATOM 0 HB2 ALA A 130 -8.281 -16.400 5.163 1.00 50.10 H new ATOM 0 HB3 ALA A 130 -7.361 -17.289 3.926 1.00 50.10 H new ATOM 2066 N GLN A 131 -7.760 -20.181 3.549 1.00 24.55 N ATOM 2067 CA GLN A 131 -7.780 -21.312 2.591 1.00 73.35 C ATOM 2068 C GLN A 131 -8.136 -22.644 3.288 1.00 62.34 C ATOM 2069 O GLN A 131 -8.423 -23.632 2.610 1.00 21.41 O ATOM 2070 CB GLN A 131 -6.428 -21.447 1.822 1.00 43.44 C ATOM 2071 CG GLN A 131 -5.179 -21.470 2.703 1.00 23.32 C ATOM 2072 CD GLN A 131 -3.891 -21.782 1.940 1.00 33.11 C ATOM 2073 OE1 GLN A 131 -3.902 -22.444 0.901 1.00 42.15 O ATOM 2074 NE2 GLN A 131 -2.768 -21.378 2.493 1.00 13.02 N ATOM 0 H GLN A 131 -6.823 -19.862 3.795 1.00 24.55 H new ATOM 0 HA GLN A 131 -8.560 -21.089 1.864 1.00 73.35 H new ATOM 0 HB2 GLN A 131 -6.454 -22.363 1.232 1.00 43.44 H new ATOM 0 HB3 GLN A 131 -6.343 -20.618 1.120 1.00 43.44 H new ATOM 0 HG2 GLN A 131 -5.074 -20.502 3.194 1.00 23.32 H new ATOM 0 HG3 GLN A 131 -5.314 -22.213 3.489 1.00 23.32 H new ATOM 0 HE21 GLN A 131 -2.791 -20.831 3.354 1.00 13.02 H new ATOM 0 HE22 GLN A 131 -1.874 -21.612 2.061 1.00 13.02 H new ATOM 2083 N TYR A 132 -8.123 -22.667 4.639 1.00 4.32 N ATOM 2084 CA TYR A 132 -8.422 -23.888 5.430 1.00 11.22 C ATOM 2085 C TYR A 132 -9.858 -23.822 5.987 1.00 13.51 C ATOM 2086 O TYR A 132 -10.139 -24.302 7.092 1.00 25.54 O ATOM 2087 CB TYR A 132 -7.390 -24.032 6.598 1.00 12.04 C ATOM 2088 CG TYR A 132 -5.908 -23.984 6.187 1.00 54.41 C ATOM 2089 CD1 TYR A 132 -5.493 -24.357 4.909 1.00 50.14 C ATOM 2090 CD2 TYR A 132 -4.926 -23.537 7.081 1.00 53.40 C ATOM 2091 CE1 TYR A 132 -4.172 -24.292 4.535 1.00 2.33 C ATOM 2092 CE2 TYR A 132 -3.598 -23.474 6.710 1.00 31.45 C ATOM 2093 CZ TYR A 132 -3.225 -23.851 5.437 1.00 63.43 C ATOM 2094 OH TYR A 132 -1.901 -23.781 5.063 1.00 53.13 O ATOM 0 H TYR A 132 -7.908 -21.850 5.210 1.00 4.32 H new ATOM 0 HA TYR A 132 -8.342 -24.760 4.781 1.00 11.22 H new ATOM 0 HB2 TYR A 132 -7.574 -23.237 7.321 1.00 12.04 H new ATOM 0 HB3 TYR A 132 -7.576 -24.977 7.109 1.00 12.04 H new ATOM 0 HD1 TYR A 132 -6.226 -24.705 4.197 1.00 50.14 H new ATOM 0 HD2 TYR A 132 -5.213 -23.237 8.078 1.00 53.40 H new ATOM 0 HE1 TYR A 132 -3.876 -24.585 3.539 1.00 2.33 H new ATOM 0 HE2 TYR A 132 -2.854 -23.131 7.414 1.00 31.45 H new ATOM 0 HH TYR A 132 -1.366 -23.450 5.814 1.00 53.13 H new ATOM 2104 N ASN A 133 -10.783 -23.272 5.181 1.00 61.15 N ATOM 2105 CA ASN A 133 -12.206 -23.130 5.552 1.00 22.03 C ATOM 2106 C ASN A 133 -13.066 -23.839 4.490 1.00 64.44 C ATOM 2107 O ASN A 133 -13.135 -23.339 3.348 1.00 15.54 O ATOM 2108 CB ASN A 133 -12.608 -21.628 5.678 1.00 51.14 C ATOM 2109 CG ASN A 133 -11.849 -20.859 6.768 1.00 63.45 C ATOM 2110 OD1 ASN A 133 -11.590 -19.667 6.624 1.00 21.51 O ATOM 2111 ND2 ASN A 133 -11.503 -21.511 7.871 1.00 60.32 N ATOM 2112 OXT ASN A 133 -13.644 -24.903 4.784 1.00 37.99 O ATOM 0 H ASN A 133 -10.567 -22.912 4.252 1.00 61.15 H new ATOM 0 HA ASN A 133 -12.372 -23.590 6.526 1.00 22.03 H new ATOM 0 HB2 ASN A 133 -12.439 -21.137 4.719 1.00 51.14 H new ATOM 0 HB3 ASN A 133 -13.677 -21.566 5.884 1.00 51.14 H new ATOM 0 HD21 ASN A 133 -11.012 -21.022 8.620 1.00 60.32 H new ATOM 0 HD22 ASN A 133 -11.728 -22.501 7.970 1.00 60.32 H new