USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 59 SER OG : rot 120:sc= 0.399 USER MOD Set 1.2: A 97 THR OG1 : rot -56:sc= 1.11 USER MOD Set 2.1: A 88 ASN : amide:sc= 0.0474 X(o=0.047,f=0) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.48 K(o=-5.5,f=-0.84) USER MOD Set 3.2: A 18 ASN : amide:sc= -2.15 K(o=-5.5,f=0.67) USER MOD Set 3.3: A 27 TYR OH : rot -15:sc= 0.122 USER MOD Set 3.4: A 53 CYS SG : rot -70:sc= -2.66 USER MOD Set 3.5: A 58 THR OG1 : rot 68:sc= 0.0453 USER MOD Set 3.6: A 79 TYR OH : rot -137:sc= 0.669 USER MOD Set 4.1: A 15 GLN : amide:sc= 0.0489 X(o=0.022,f=-0.0046) USER MOD Set 4.2: A 28 THR OG1 : rot 150:sc= -0.0271 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 40:sc= -0.0154 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0054 USER MOD Single : A 32 THR OG1 : rot -45:sc= 0.203 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.96) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.473 (180deg=0.462) USER MOD Single : A 42 ASN : amide:sc=-0.00632 X(o=-0.0063,f=-0.31) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 0.51 (180deg=0.0776) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.094) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0287) USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 61 THR OG1 : rot 62:sc= 0.462 USER MOD Single : A 64 THR OG1 : rot 135:sc= 0.0863 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0798) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.558 (180deg=0.405) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.201 0.274 -1.670 1.00 71.01 N ATOM 171 CA ASP A 11 -13.082 0.609 -2.553 1.00 25.35 C ATOM 172 C ASP A 11 -11.767 0.608 -1.771 1.00 71.21 C ATOM 173 O ASP A 11 -11.702 1.154 -0.659 1.00 63.22 O ATOM 174 CB ASP A 11 -13.313 2.000 -3.185 1.00 63.24 C ATOM 175 CG ASP A 11 -14.721 2.179 -3.762 1.00 43.04 C ATOM 176 OD1 ASP A 11 -14.982 1.737 -4.894 1.00 32.04 O ATOM 177 OD2 ASP A 11 -15.577 2.770 -3.064 1.00 32.13 O ATOM 0 HA ASP A 11 -13.021 -0.141 -3.342 1.00 25.35 H new ATOM 0 HB2 ASP A 11 -13.137 2.767 -2.431 1.00 63.24 H new ATOM 0 HB3 ASP A 11 -12.581 2.157 -3.977 1.00 63.24 H new ATOM 182 N ILE A 12 -10.737 -0.008 -2.357 1.00 54.53 N ATOM 183 CA ILE A 12 -9.385 -0.027 -1.792 1.00 15.11 C ATOM 184 C ILE A 12 -8.723 1.336 -2.080 1.00 51.35 C ATOM 185 O ILE A 12 -8.284 1.604 -3.204 1.00 12.11 O ATOM 186 CB ILE A 12 -8.543 -1.189 -2.440 1.00 65.32 C ATOM 187 CG1 ILE A 12 -9.293 -2.552 -2.308 1.00 65.15 C ATOM 188 CG2 ILE A 12 -7.121 -1.270 -1.839 1.00 43.12 C ATOM 189 CD1 ILE A 12 -8.656 -3.693 -3.078 1.00 72.04 C ATOM 0 H ILE A 12 -10.818 -0.510 -3.241 1.00 54.53 H new ATOM 0 HA ILE A 12 -9.430 -0.200 -0.717 1.00 15.11 H new ATOM 0 HB ILE A 12 -8.429 -0.964 -3.500 1.00 65.32 H new ATOM 0 HG12 ILE A 12 -9.344 -2.825 -1.254 1.00 65.15 H new ATOM 0 HG13 ILE A 12 -10.319 -2.424 -2.654 1.00 65.15 H new ATOM 0 HG21 ILE A 12 -6.572 -2.084 -2.312 1.00 43.12 H new ATOM 0 HG22 ILE A 12 -6.598 -0.330 -2.014 1.00 43.12 H new ATOM 0 HG23 ILE A 12 -7.189 -1.453 -0.767 1.00 43.12 H new ATOM 0 HD11 ILE A 12 -9.240 -4.602 -2.931 1.00 72.04 H new ATOM 0 HD12 ILE A 12 -8.630 -3.446 -4.139 1.00 72.04 H new ATOM 0 HD13 ILE A 12 -7.640 -3.853 -2.717 1.00 72.04 H new ATOM 201 N GLN A 13 -8.687 2.202 -1.065 1.00 64.04 N ATOM 202 CA GLN A 13 -8.100 3.539 -1.174 1.00 34.13 C ATOM 203 C GLN A 13 -6.667 3.506 -0.619 1.00 13.05 C ATOM 204 O GLN A 13 -6.451 3.367 0.591 1.00 64.42 O ATOM 205 CB GLN A 13 -8.982 4.576 -0.436 1.00 44.24 C ATOM 206 CG GLN A 13 -8.518 6.039 -0.609 1.00 73.44 C ATOM 207 CD GLN A 13 -9.404 7.054 0.112 1.00 73.12 C ATOM 208 OE1 GLN A 13 -9.988 6.766 1.157 1.00 64.13 O ATOM 209 NE2 GLN A 13 -9.510 8.252 -0.441 1.00 12.33 N ATOM 0 H GLN A 13 -9.066 1.995 -0.141 1.00 64.04 H new ATOM 0 HA GLN A 13 -8.056 3.843 -2.220 1.00 34.13 H new ATOM 0 HB2 GLN A 13 -10.007 4.487 -0.796 1.00 44.24 H new ATOM 0 HB3 GLN A 13 -8.995 4.334 0.627 1.00 44.24 H new ATOM 0 HG2 GLN A 13 -7.497 6.133 -0.239 1.00 73.44 H new ATOM 0 HG3 GLN A 13 -8.495 6.280 -1.672 1.00 73.44 H new ATOM 0 HE21 GLN A 13 -9.013 8.460 -1.307 1.00 12.33 H new ATOM 0 HE22 GLN A 13 -10.088 8.968 -0.001 1.00 12.33 H new ATOM 218 N VAL A 14 -5.705 3.562 -1.544 1.00 51.34 N ATOM 219 CA VAL A 14 -4.270 3.571 -1.250 1.00 50.23 C ATOM 220 C VAL A 14 -3.793 5.028 -1.179 1.00 31.14 C ATOM 221 O VAL A 14 -3.912 5.763 -2.159 1.00 64.32 O ATOM 222 CB VAL A 14 -3.464 2.810 -2.369 1.00 20.45 C ATOM 223 CG1 VAL A 14 -2.003 2.561 -1.933 1.00 43.12 C ATOM 224 CG2 VAL A 14 -4.174 1.496 -2.752 1.00 31.35 C ATOM 0 H VAL A 14 -5.908 3.603 -2.543 1.00 51.34 H new ATOM 0 HA VAL A 14 -4.097 3.066 -0.300 1.00 50.23 H new ATOM 0 HB VAL A 14 -3.432 3.442 -3.256 1.00 20.45 H new ATOM 0 HG11 VAL A 14 -1.472 2.034 -2.726 1.00 43.12 H new ATOM 0 HG12 VAL A 14 -1.513 3.515 -1.740 1.00 43.12 H new ATOM 0 HG13 VAL A 14 -1.992 1.957 -1.025 1.00 43.12 H new ATOM 0 HG21 VAL A 14 -3.601 0.985 -3.526 1.00 31.35 H new ATOM 0 HG22 VAL A 14 -4.250 0.854 -1.874 1.00 31.35 H new ATOM 0 HG23 VAL A 14 -5.173 1.718 -3.127 1.00 31.35 H new ATOM 234 N GLN A 15 -3.281 5.445 -0.022 1.00 71.01 N ATOM 235 CA GLN A 15 -2.802 6.820 0.194 1.00 55.55 C ATOM 236 C GLN A 15 -1.390 6.788 0.778 1.00 73.20 C ATOM 237 O GLN A 15 -1.129 6.021 1.712 1.00 60.14 O ATOM 238 CB GLN A 15 -3.766 7.565 1.151 1.00 3.11 C ATOM 239 CG GLN A 15 -3.341 9.002 1.498 1.00 5.42 C ATOM 240 CD GLN A 15 -4.356 9.709 2.389 1.00 5.14 C ATOM 241 OE1 GLN A 15 -4.284 9.621 3.614 1.00 72.13 O ATOM 242 NE2 GLN A 15 -5.313 10.404 1.787 1.00 2.01 N ATOM 0 H GLN A 15 -3.184 4.843 0.796 1.00 71.01 H new ATOM 0 HA GLN A 15 -2.775 7.349 -0.758 1.00 55.55 H new ATOM 0 HB2 GLN A 15 -4.757 7.593 0.698 1.00 3.11 H new ATOM 0 HB3 GLN A 15 -3.854 6.993 2.075 1.00 3.11 H new ATOM 0 HG2 GLN A 15 -2.374 8.981 2.000 1.00 5.42 H new ATOM 0 HG3 GLN A 15 -3.210 9.572 0.578 1.00 5.42 H new ATOM 0 HE21 GLN A 15 -5.342 10.456 0.769 1.00 2.01 H new ATOM 0 HE22 GLN A 15 -6.019 10.887 2.343 1.00 2.01 H new ATOM 251 N ASN A 16 -0.477 7.594 0.206 1.00 52.34 N ATOM 252 CA ASN A 16 0.858 7.811 0.789 1.00 22.53 C ATOM 253 C ASN A 16 0.938 9.231 1.392 1.00 61.01 C ATOM 254 O ASN A 16 0.436 10.194 0.796 1.00 31.01 O ATOM 255 CB ASN A 16 1.989 7.601 -0.249 1.00 34.45 C ATOM 256 CG ASN A 16 3.357 7.416 0.430 1.00 2.33 C ATOM 257 OD1 ASN A 16 4.017 8.366 0.820 1.00 5.24 O ATOM 258 ND2 ASN A 16 3.785 6.186 0.592 1.00 10.11 N ATOM 0 H ASN A 16 -0.641 8.106 -0.661 1.00 52.34 H new ATOM 0 HA ASN A 16 1.003 7.070 1.575 1.00 22.53 H new ATOM 0 HB2 ASN A 16 1.765 6.727 -0.860 1.00 34.45 H new ATOM 0 HB3 ASN A 16 2.029 8.458 -0.922 1.00 34.45 H new ATOM 0 HD21 ASN A 16 4.680 6.014 1.049 1.00 10.11 H new ATOM 0 HD22 ASN A 16 3.222 5.402 0.261 1.00 10.11 H new ATOM 265 N ASN A 17 1.539 9.334 2.593 1.00 74.33 N ATOM 266 CA ASN A 17 1.839 10.616 3.246 1.00 15.23 C ATOM 267 C ASN A 17 3.347 10.887 3.114 1.00 53.22 C ATOM 268 O ASN A 17 4.165 10.155 3.678 1.00 2.12 O ATOM 269 CB ASN A 17 1.417 10.594 4.741 1.00 21.11 C ATOM 270 CG ASN A 17 1.693 11.921 5.478 1.00 71.44 C ATOM 271 OD1 ASN A 17 2.059 11.925 6.656 1.00 33.50 O ATOM 272 ND2 ASN A 17 1.490 13.057 4.814 1.00 41.30 N ATOM 0 H ASN A 17 1.831 8.523 3.138 1.00 74.33 H new ATOM 0 HA ASN A 17 1.273 11.412 2.762 1.00 15.23 H new ATOM 0 HB2 ASN A 17 0.353 10.366 4.807 1.00 21.11 H new ATOM 0 HB3 ASN A 17 1.948 9.789 5.248 1.00 21.11 H new ATOM 0 HD21 ASN A 17 1.637 13.953 5.279 1.00 41.30 H new ATOM 0 HD22 ASN A 17 1.187 13.031 3.840 1.00 41.30 H new ATOM 279 N ASN A 18 3.688 11.929 2.335 1.00 73.22 N ATOM 280 CA ASN A 18 5.079 12.264 1.978 1.00 32.02 C ATOM 281 C ASN A 18 5.521 13.549 2.700 1.00 13.23 C ATOM 282 O ASN A 18 4.853 14.584 2.593 1.00 0.23 O ATOM 283 CB ASN A 18 5.201 12.450 0.438 1.00 70.34 C ATOM 284 CG ASN A 18 4.647 11.253 -0.332 1.00 23.40 C ATOM 285 OD1 ASN A 18 3.481 11.239 -0.734 1.00 13.22 O ATOM 286 ND2 ASN A 18 5.454 10.220 -0.504 1.00 72.35 N ATOM 0 H ASN A 18 3.002 12.567 1.932 1.00 73.22 H new ATOM 0 HA ASN A 18 5.728 11.446 2.291 1.00 32.02 H new ATOM 0 HB2 ASN A 18 4.666 13.352 0.139 1.00 70.34 H new ATOM 0 HB3 ASN A 18 6.248 12.598 0.173 1.00 70.34 H new ATOM 0 HD21 ASN A 18 5.117 9.383 -0.980 1.00 72.35 H new ATOM 0 HD22 ASN A 18 6.414 10.260 -0.161 1.00 72.35 H new ATOM 293 N THR A 19 6.644 13.461 3.436 1.00 34.43 N ATOM 294 CA THR A 19 7.289 14.625 4.058 1.00 64.41 C ATOM 295 C THR A 19 8.404 15.119 3.108 1.00 43.52 C ATOM 296 O THR A 19 9.420 14.439 2.930 1.00 4.12 O ATOM 297 CB THR A 19 7.888 14.250 5.456 1.00 54.51 C ATOM 298 OG1 THR A 19 6.860 13.635 6.253 1.00 10.01 O ATOM 299 CG2 THR A 19 8.450 15.487 6.200 1.00 11.11 C ATOM 0 H THR A 19 7.127 12.581 3.614 1.00 34.43 H new ATOM 0 HA THR A 19 6.554 15.413 4.219 1.00 64.41 H new ATOM 0 HB THR A 19 8.717 13.561 5.296 1.00 54.51 H new ATOM 0 HG1 THR A 19 7.226 13.395 7.130 1.00 10.01 H new ATOM 0 HG21 THR A 19 8.855 15.179 7.164 1.00 11.11 H new ATOM 0 HG22 THR A 19 9.240 15.942 5.603 1.00 11.11 H new ATOM 0 HG23 THR A 19 7.651 16.211 6.357 1.00 11.11 H new ATOM 407 N TYR A 27 -1.018 12.049 -4.003 1.00 21.12 N ATOM 408 CA TYR A 27 -1.389 11.008 -4.984 1.00 72.30 C ATOM 409 C TYR A 27 -2.110 9.838 -4.275 1.00 22.21 C ATOM 410 O TYR A 27 -1.554 8.766 -4.018 1.00 64.24 O ATOM 411 CB TYR A 27 -0.150 10.558 -5.839 1.00 51.34 C ATOM 412 CG TYR A 27 1.142 10.225 -5.064 1.00 75.21 C ATOM 413 CD1 TYR A 27 2.097 11.215 -4.800 1.00 41.12 C ATOM 414 CD2 TYR A 27 1.436 8.921 -4.635 1.00 61.13 C ATOM 415 CE1 TYR A 27 3.272 10.921 -4.135 1.00 14.04 C ATOM 416 CE2 TYR A 27 2.616 8.631 -3.974 1.00 65.12 C ATOM 417 CZ TYR A 27 3.522 9.630 -3.730 1.00 2.41 C ATOM 418 OH TYR A 27 4.708 9.334 -3.098 1.00 12.45 O ATOM 0 HA TYR A 27 -2.098 11.426 -5.699 1.00 72.30 H new ATOM 0 HB2 TYR A 27 -0.436 9.679 -6.417 1.00 51.34 H new ATOM 0 HB3 TYR A 27 0.076 11.350 -6.553 1.00 51.34 H new ATOM 0 HD1 TYR A 27 1.911 12.229 -5.123 1.00 41.12 H new ATOM 0 HD2 TYR A 27 0.727 8.129 -4.825 1.00 61.13 H new ATOM 0 HE1 TYR A 27 3.991 11.701 -3.934 1.00 14.04 H new ATOM 0 HE2 TYR A 27 2.823 7.621 -3.651 1.00 65.12 H new ATOM 0 HH TYR A 27 5.341 10.070 -3.230 1.00 12.45 H new ATOM 428 N THR A 28 -3.362 10.123 -3.890 1.00 15.43 N ATOM 429 CA THR A 28 -4.268 9.157 -3.289 1.00 44.14 C ATOM 430 C THR A 28 -5.052 8.480 -4.417 1.00 74.42 C ATOM 431 O THR A 28 -5.734 9.149 -5.200 1.00 41.24 O ATOM 432 CB THR A 28 -5.229 9.866 -2.282 1.00 62.03 C ATOM 433 OG1 THR A 28 -4.435 10.586 -1.314 1.00 0.44 O ATOM 434 CG2 THR A 28 -6.149 8.864 -1.554 1.00 53.33 C ATOM 0 H THR A 28 -3.773 11.051 -3.993 1.00 15.43 H new ATOM 0 HA THR A 28 -3.709 8.407 -2.729 1.00 44.14 H new ATOM 0 HB THR A 28 -5.869 10.547 -2.842 1.00 62.03 H new ATOM 0 HG1 THR A 28 -4.931 11.372 -1.004 1.00 0.44 H new ATOM 0 HG21 THR A 28 -6.799 9.402 -0.864 1.00 53.33 H new ATOM 0 HG22 THR A 28 -6.757 8.331 -2.285 1.00 53.33 H new ATOM 0 HG23 THR A 28 -5.541 8.150 -0.998 1.00 53.33 H new ATOM 442 N TYR A 29 -4.920 7.162 -4.503 1.00 41.42 N ATOM 443 CA TYR A 29 -5.545 6.350 -5.543 1.00 21.43 C ATOM 444 C TYR A 29 -6.655 5.528 -4.892 1.00 11.03 C ATOM 445 O TYR A 29 -6.523 5.112 -3.742 1.00 53.43 O ATOM 446 CB TYR A 29 -4.485 5.407 -6.169 1.00 21.20 C ATOM 447 CG TYR A 29 -3.231 6.125 -6.709 1.00 31.15 C ATOM 448 CD1 TYR A 29 -3.315 7.010 -7.788 1.00 73.33 C ATOM 449 CD2 TYR A 29 -1.965 5.902 -6.151 1.00 72.35 C ATOM 450 CE1 TYR A 29 -2.187 7.641 -8.288 1.00 5.12 C ATOM 451 CE2 TYR A 29 -0.839 6.533 -6.650 1.00 72.53 C ATOM 452 CZ TYR A 29 -0.954 7.396 -7.715 1.00 53.33 C ATOM 453 OH TYR A 29 0.174 8.012 -8.211 1.00 63.33 O ATOM 0 H TYR A 29 -4.367 6.617 -3.842 1.00 41.42 H new ATOM 0 HA TYR A 29 -5.957 6.982 -6.330 1.00 21.43 H new ATOM 0 HB2 TYR A 29 -4.177 4.679 -5.419 1.00 21.20 H new ATOM 0 HB3 TYR A 29 -4.948 4.850 -6.983 1.00 21.20 H new ATOM 0 HD1 TYR A 29 -4.276 7.205 -8.240 1.00 73.33 H new ATOM 0 HD2 TYR A 29 -1.866 5.225 -5.316 1.00 72.35 H new ATOM 0 HE1 TYR A 29 -2.271 8.322 -9.122 1.00 5.12 H new ATOM 0 HE2 TYR A 29 0.127 6.348 -6.205 1.00 72.53 H new ATOM 0 HH TYR A 29 -0.036 8.941 -8.443 1.00 63.33 H new ATOM 463 N THR A 30 -7.761 5.342 -5.610 1.00 13.15 N ATOM 464 CA THR A 30 -8.869 4.511 -5.160 1.00 62.23 C ATOM 465 C THR A 30 -9.188 3.483 -6.257 1.00 3.21 C ATOM 466 O THR A 30 -9.758 3.823 -7.303 1.00 24.41 O ATOM 467 CB THR A 30 -10.112 5.399 -4.835 1.00 72.43 C ATOM 468 OG1 THR A 30 -9.735 6.424 -3.894 1.00 51.23 O ATOM 469 CG2 THR A 30 -11.260 4.570 -4.252 1.00 54.51 C ATOM 0 H THR A 30 -7.912 5.767 -6.525 1.00 13.15 H new ATOM 0 HA THR A 30 -8.597 3.983 -4.246 1.00 62.23 H new ATOM 0 HB THR A 30 -10.459 5.849 -5.765 1.00 72.43 H new ATOM 0 HG1 THR A 30 -10.513 6.983 -3.690 1.00 51.23 H new ATOM 0 HG21 THR A 30 -12.107 5.222 -4.038 1.00 54.51 H new ATOM 0 HG22 THR A 30 -11.560 3.808 -4.971 1.00 54.51 H new ATOM 0 HG23 THR A 30 -10.931 4.089 -3.331 1.00 54.51 H new ATOM 477 N VAL A 31 -8.764 2.230 -6.016 1.00 44.42 N ATOM 478 CA VAL A 31 -9.013 1.086 -6.909 1.00 32.33 C ATOM 479 C VAL A 31 -10.114 0.209 -6.286 1.00 0.41 C ATOM 480 O VAL A 31 -10.052 -0.125 -5.106 1.00 63.35 O ATOM 481 CB VAL A 31 -7.686 0.261 -7.177 1.00 72.25 C ATOM 482 CG1 VAL A 31 -6.655 1.117 -7.959 1.00 53.11 C ATOM 483 CG2 VAL A 31 -7.049 -0.300 -5.876 1.00 1.34 C ATOM 0 H VAL A 31 -8.231 1.981 -5.183 1.00 44.42 H new ATOM 0 HA VAL A 31 -9.349 1.447 -7.881 1.00 32.33 H new ATOM 0 HB VAL A 31 -7.973 -0.598 -7.784 1.00 72.25 H new ATOM 0 HG11 VAL A 31 -5.752 0.531 -8.132 1.00 53.11 H new ATOM 0 HG12 VAL A 31 -7.082 1.417 -8.916 1.00 53.11 H new ATOM 0 HG13 VAL A 31 -6.405 2.006 -7.379 1.00 53.11 H new ATOM 0 HG21 VAL A 31 -6.144 -0.855 -6.124 1.00 1.34 H new ATOM 0 HG22 VAL A 31 -6.798 0.525 -5.209 1.00 1.34 H new ATOM 0 HG23 VAL A 31 -7.758 -0.964 -5.381 1.00 1.34 H new ATOM 493 N THR A 32 -11.140 -0.140 -7.071 1.00 44.51 N ATOM 494 CA THR A 32 -12.328 -0.847 -6.544 1.00 31.31 C ATOM 495 C THR A 32 -12.141 -2.387 -6.588 1.00 71.02 C ATOM 496 O THR A 32 -13.023 -3.143 -6.175 1.00 0.25 O ATOM 497 CB THR A 32 -13.625 -0.394 -7.309 1.00 0.22 C ATOM 498 OG1 THR A 32 -14.796 -0.849 -6.610 1.00 1.04 O ATOM 499 CG2 THR A 32 -13.671 -0.889 -8.772 1.00 53.15 C ATOM 0 H THR A 32 -11.178 0.052 -8.072 1.00 44.51 H new ATOM 0 HA THR A 32 -12.447 -0.574 -5.495 1.00 31.31 H new ATOM 0 HB THR A 32 -13.602 0.695 -7.339 1.00 0.22 H new ATOM 0 HG1 THR A 32 -14.676 -1.785 -6.345 1.00 1.04 H new ATOM 0 HG21 THR A 32 -14.590 -0.543 -9.244 1.00 53.15 H new ATOM 0 HG22 THR A 32 -12.813 -0.495 -9.317 1.00 53.15 H new ATOM 0 HG23 THR A 32 -13.642 -1.978 -8.789 1.00 53.15 H new ATOM 507 N THR A 33 -10.960 -2.843 -7.060 1.00 31.12 N ATOM 508 CA THR A 33 -10.650 -4.278 -7.231 1.00 30.34 C ATOM 509 C THR A 33 -9.227 -4.593 -6.717 1.00 71.23 C ATOM 510 O THR A 33 -8.311 -3.775 -6.881 1.00 44.04 O ATOM 511 CB THR A 33 -10.804 -4.681 -8.740 1.00 24.53 C ATOM 512 OG1 THR A 33 -12.122 -4.327 -9.194 1.00 73.35 O ATOM 513 CG2 THR A 33 -10.569 -6.184 -8.987 1.00 64.44 C ATOM 0 H THR A 33 -10.195 -2.226 -7.333 1.00 31.12 H new ATOM 0 HA THR A 33 -11.354 -4.864 -6.641 1.00 30.34 H new ATOM 0 HB THR A 33 -10.040 -4.139 -9.297 1.00 24.53 H new ATOM 0 HG1 THR A 33 -12.221 -4.576 -10.137 1.00 73.35 H new ATOM 0 HG21 THR A 33 -10.689 -6.401 -10.048 1.00 64.44 H new ATOM 0 HG22 THR A 33 -9.560 -6.451 -8.674 1.00 64.44 H new ATOM 0 HG23 THR A 33 -11.292 -6.764 -8.414 1.00 64.44 H new ATOM 521 N GLU A 34 -9.071 -5.800 -6.110 1.00 14.22 N ATOM 522 CA GLU A 34 -7.795 -6.284 -5.531 1.00 72.43 C ATOM 523 C GLU A 34 -6.697 -6.401 -6.602 1.00 32.52 C ATOM 524 O GLU A 34 -5.544 -6.096 -6.341 1.00 40.05 O ATOM 525 CB GLU A 34 -8.005 -7.647 -4.827 1.00 21.11 C ATOM 526 CG GLU A 34 -9.080 -7.630 -3.724 1.00 72.30 C ATOM 527 CD GLU A 34 -9.203 -8.984 -3.015 1.00 30.25 C ATOM 528 OE1 GLU A 34 -9.908 -9.878 -3.532 1.00 23.21 O ATOM 529 OE2 GLU A 34 -8.561 -9.183 -1.967 1.00 13.12 O ATOM 0 H GLU A 34 -9.836 -6.467 -6.010 1.00 14.22 H new ATOM 0 HA GLU A 34 -7.466 -5.551 -4.795 1.00 72.43 H new ATOM 0 HB2 GLU A 34 -8.280 -8.391 -5.575 1.00 21.11 H new ATOM 0 HB3 GLU A 34 -7.059 -7.968 -4.391 1.00 21.11 H new ATOM 0 HG2 GLU A 34 -8.836 -6.860 -2.993 1.00 72.30 H new ATOM 0 HG3 GLU A 34 -10.042 -7.362 -4.161 1.00 72.30 H new ATOM 536 N SER A 35 -7.091 -6.839 -7.812 1.00 32.22 N ATOM 537 CA SER A 35 -6.179 -6.979 -8.967 1.00 31.43 C ATOM 538 C SER A 35 -5.544 -5.630 -9.366 1.00 62.10 C ATOM 539 O SER A 35 -4.367 -5.569 -9.753 1.00 54.44 O ATOM 540 CB SER A 35 -6.953 -7.585 -10.156 1.00 64.33 C ATOM 541 OG SER A 35 -7.552 -8.820 -9.789 1.00 51.41 O ATOM 0 H SER A 35 -8.053 -7.107 -8.019 1.00 32.22 H new ATOM 0 HA SER A 35 -5.363 -7.643 -8.681 1.00 31.43 H new ATOM 0 HB2 SER A 35 -7.721 -6.887 -10.489 1.00 64.33 H new ATOM 0 HB3 SER A 35 -6.276 -7.739 -10.996 1.00 64.33 H new ATOM 0 HG SER A 35 -8.040 -9.188 -10.556 1.00 51.41 H new ATOM 547 N GLU A 36 -6.338 -4.552 -9.246 1.00 40.11 N ATOM 548 CA GLU A 36 -5.911 -3.182 -9.574 1.00 41.32 C ATOM 549 C GLU A 36 -4.915 -2.622 -8.536 1.00 43.34 C ATOM 550 O GLU A 36 -4.179 -1.673 -8.839 1.00 72.25 O ATOM 551 CB GLU A 36 -7.150 -2.259 -9.690 1.00 73.13 C ATOM 552 CG GLU A 36 -8.139 -2.646 -10.804 1.00 13.20 C ATOM 553 CD GLU A 36 -7.483 -2.701 -12.197 1.00 64.12 C ATOM 554 OE1 GLU A 36 -7.075 -1.641 -12.713 1.00 43.31 O ATOM 555 OE2 GLU A 36 -7.357 -3.800 -12.780 1.00 53.31 O ATOM 0 H GLU A 36 -7.302 -4.608 -8.916 1.00 40.11 H new ATOM 0 HA GLU A 36 -5.392 -3.214 -10.532 1.00 41.32 H new ATOM 0 HB2 GLU A 36 -7.679 -2.262 -8.737 1.00 73.13 H new ATOM 0 HB3 GLU A 36 -6.810 -1.238 -9.863 1.00 73.13 H new ATOM 0 HG2 GLU A 36 -8.574 -3.619 -10.574 1.00 13.20 H new ATOM 0 HG3 GLU A 36 -8.958 -1.927 -10.822 1.00 13.20 H new ATOM 562 N LEU A 37 -4.904 -3.213 -7.323 1.00 62.10 N ATOM 563 CA LEU A 37 -3.964 -2.832 -6.254 1.00 53.23 C ATOM 564 C LEU A 37 -2.512 -3.164 -6.658 1.00 31.12 C ATOM 565 O LEU A 37 -1.636 -2.296 -6.607 1.00 15.34 O ATOM 566 CB LEU A 37 -4.312 -3.556 -4.933 1.00 53.11 C ATOM 567 CG LEU A 37 -3.353 -3.260 -3.742 1.00 21.33 C ATOM 568 CD1 LEU A 37 -3.430 -1.793 -3.311 1.00 2.15 C ATOM 569 CD2 LEU A 37 -3.602 -4.193 -2.559 1.00 22.12 C ATOM 0 H LEU A 37 -5.543 -3.963 -7.060 1.00 62.10 H new ATOM 0 HA LEU A 37 -4.053 -1.756 -6.102 1.00 53.23 H new ATOM 0 HB2 LEU A 37 -5.325 -3.278 -4.641 1.00 53.11 H new ATOM 0 HB3 LEU A 37 -4.317 -4.630 -5.117 1.00 53.11 H new ATOM 0 HG LEU A 37 -2.341 -3.452 -4.098 1.00 21.33 H new ATOM 0 HD11 LEU A 37 -2.748 -1.622 -2.478 1.00 2.15 H new ATOM 0 HD12 LEU A 37 -3.149 -1.153 -4.147 1.00 2.15 H new ATOM 0 HD13 LEU A 37 -4.448 -1.558 -3.000 1.00 2.15 H new ATOM 0 HD21 LEU A 37 -2.911 -3.950 -1.752 1.00 22.12 H new ATOM 0 HD22 LEU A 37 -4.627 -4.070 -2.208 1.00 22.12 H new ATOM 0 HD23 LEU A 37 -3.447 -5.226 -2.871 1.00 22.12 H new ATOM 581 N GLN A 38 -2.297 -4.433 -7.080 1.00 1.31 N ATOM 582 CA GLN A 38 -0.969 -4.954 -7.501 1.00 63.30 C ATOM 583 C GLN A 38 -0.350 -4.090 -8.623 1.00 0.31 C ATOM 584 O GLN A 38 0.869 -3.967 -8.725 1.00 52.22 O ATOM 585 CB GLN A 38 -1.073 -6.434 -7.976 1.00 31.31 C ATOM 586 CG GLN A 38 -1.294 -7.483 -6.854 1.00 62.22 C ATOM 587 CD GLN A 38 -2.683 -7.431 -6.206 1.00 53.43 C ATOM 588 OE1 GLN A 38 -2.906 -6.740 -5.209 1.00 4.21 O ATOM 589 NE2 GLN A 38 -3.628 -8.167 -6.764 1.00 11.24 N ATOM 0 H GLN A 38 -3.041 -5.129 -7.139 1.00 1.31 H new ATOM 0 HA GLN A 38 -0.317 -4.907 -6.629 1.00 63.30 H new ATOM 0 HB2 GLN A 38 -1.894 -6.512 -8.688 1.00 31.31 H new ATOM 0 HB3 GLN A 38 -0.160 -6.690 -8.513 1.00 31.31 H new ATOM 0 HG2 GLN A 38 -1.136 -8.479 -7.268 1.00 62.22 H new ATOM 0 HG3 GLN A 38 -0.540 -7.336 -6.081 1.00 62.22 H new ATOM 0 HE21 GLN A 38 -3.416 -8.729 -7.588 1.00 11.24 H new ATOM 0 HE22 GLN A 38 -4.569 -8.173 -6.370 1.00 11.24 H new ATOM 598 N LYS A 39 -1.235 -3.507 -9.448 1.00 72.34 N ATOM 599 CA LYS A 39 -0.868 -2.605 -10.545 1.00 21.31 C ATOM 600 C LYS A 39 -0.423 -1.234 -9.998 1.00 21.20 C ATOM 601 O LYS A 39 0.697 -0.790 -10.251 1.00 61.43 O ATOM 602 CB LYS A 39 -2.077 -2.433 -11.501 1.00 61.44 C ATOM 603 CG LYS A 39 -2.587 -3.748 -12.138 1.00 74.22 C ATOM 604 CD LYS A 39 -3.887 -3.546 -12.958 1.00 50.43 C ATOM 605 CE LYS A 39 -3.749 -2.509 -14.089 1.00 5.43 C ATOM 606 NZ LYS A 39 -5.015 -2.354 -14.852 1.00 41.02 N ATOM 0 H LYS A 39 -2.241 -3.653 -9.368 1.00 72.34 H new ATOM 0 HA LYS A 39 -0.032 -3.039 -11.093 1.00 21.31 H new ATOM 0 HB2 LYS A 39 -2.896 -1.970 -10.950 1.00 61.44 H new ATOM 0 HB3 LYS A 39 -1.798 -1.743 -12.298 1.00 61.44 H new ATOM 0 HG2 LYS A 39 -1.813 -4.158 -12.786 1.00 74.22 H new ATOM 0 HG3 LYS A 39 -2.767 -4.482 -11.353 1.00 74.22 H new ATOM 0 HD2 LYS A 39 -4.188 -4.502 -13.388 1.00 50.43 H new ATOM 0 HD3 LYS A 39 -4.686 -3.233 -12.285 1.00 50.43 H new ATOM 0 HE2 LYS A 39 -3.459 -1.547 -13.667 1.00 5.43 H new ATOM 0 HE3 LYS A 39 -2.951 -2.814 -14.766 1.00 5.43 H new ATOM 0 HZ1 LYS A 39 -4.904 -1.600 -15.560 1.00 41.02 H new ATOM 0 HZ2 LYS A 39 -5.243 -3.248 -15.331 1.00 41.02 H new ATOM 0 HZ3 LYS A 39 -5.785 -2.105 -14.199 1.00 41.02 H new ATOM 620 N VAL A 40 -1.305 -0.596 -9.195 1.00 71.41 N ATOM 621 CA VAL A 40 -1.151 0.820 -8.796 1.00 20.53 C ATOM 622 C VAL A 40 0.026 1.037 -7.806 1.00 3.24 C ATOM 623 O VAL A 40 0.605 2.124 -7.758 1.00 75.22 O ATOM 624 CB VAL A 40 -2.497 1.396 -8.203 1.00 71.45 C ATOM 625 CG1 VAL A 40 -2.853 0.804 -6.817 1.00 31.33 C ATOM 626 CG2 VAL A 40 -2.471 2.937 -8.163 1.00 54.12 C ATOM 0 H VAL A 40 -2.136 -1.044 -8.809 1.00 71.41 H new ATOM 0 HA VAL A 40 -0.909 1.373 -9.703 1.00 20.53 H new ATOM 0 HB VAL A 40 -3.291 1.082 -8.881 1.00 71.45 H new ATOM 0 HG11 VAL A 40 -3.788 1.240 -6.464 1.00 31.33 H new ATOM 0 HG12 VAL A 40 -2.966 -0.277 -6.901 1.00 31.33 H new ATOM 0 HG13 VAL A 40 -2.057 1.032 -6.109 1.00 31.33 H new ATOM 0 HG21 VAL A 40 -3.410 3.306 -7.750 1.00 54.12 H new ATOM 0 HG22 VAL A 40 -1.643 3.271 -7.537 1.00 54.12 H new ATOM 0 HG23 VAL A 40 -2.341 3.325 -9.173 1.00 54.12 H new ATOM 636 N LEU A 41 0.373 -0.019 -7.044 1.00 34.34 N ATOM 637 CA LEU A 41 1.501 0.005 -6.084 1.00 21.42 C ATOM 638 C LEU A 41 2.860 0.096 -6.814 1.00 41.03 C ATOM 639 O LEU A 41 3.809 0.683 -6.283 1.00 42.42 O ATOM 640 CB LEU A 41 1.456 -1.243 -5.156 1.00 34.32 C ATOM 641 CG LEU A 41 0.315 -1.266 -4.087 1.00 24.14 C ATOM 642 CD1 LEU A 41 0.391 -2.538 -3.217 1.00 4.35 C ATOM 643 CD2 LEU A 41 0.335 0.003 -3.206 1.00 44.00 C ATOM 0 H LEU A 41 -0.118 -0.912 -7.074 1.00 34.34 H new ATOM 0 HA LEU A 41 1.396 0.898 -5.468 1.00 21.42 H new ATOM 0 HB2 LEU A 41 1.359 -2.131 -5.780 1.00 34.32 H new ATOM 0 HB3 LEU A 41 2.412 -1.320 -4.639 1.00 34.32 H new ATOM 0 HG LEU A 41 -0.632 -1.280 -4.626 1.00 24.14 H new ATOM 0 HD11 LEU A 41 -0.415 -2.526 -2.483 1.00 4.35 H new ATOM 0 HD12 LEU A 41 0.291 -3.419 -3.851 1.00 4.35 H new ATOM 0 HD13 LEU A 41 1.351 -2.569 -2.701 1.00 4.35 H new ATOM 0 HD21 LEU A 41 -0.472 -0.049 -2.475 1.00 44.00 H new ATOM 0 HD22 LEU A 41 1.291 0.070 -2.687 1.00 44.00 H new ATOM 0 HD23 LEU A 41 0.200 0.884 -3.834 1.00 44.00 H new ATOM 655 N ASN A 42 2.920 -0.486 -8.034 1.00 60.13 N ATOM 656 CA ASN A 42 4.105 -0.408 -8.924 1.00 70.22 C ATOM 657 C ASN A 42 4.368 1.051 -9.341 1.00 41.20 C ATOM 658 O ASN A 42 5.513 1.475 -9.439 1.00 11.15 O ATOM 659 CB ASN A 42 3.907 -1.285 -10.197 1.00 63.53 C ATOM 660 CG ASN A 42 3.694 -2.774 -9.896 1.00 2.14 C ATOM 661 OD1 ASN A 42 4.214 -3.316 -8.917 1.00 33.13 O ATOM 662 ND2 ASN A 42 2.931 -3.448 -10.736 1.00 41.22 N ATOM 0 H ASN A 42 2.149 -1.023 -8.430 1.00 60.13 H new ATOM 0 HA ASN A 42 4.964 -0.786 -8.369 1.00 70.22 H new ATOM 0 HB2 ASN A 42 3.049 -0.910 -10.755 1.00 63.53 H new ATOM 0 HB3 ASN A 42 4.779 -1.175 -10.842 1.00 63.53 H new ATOM 0 HD21 ASN A 42 2.759 -4.442 -10.584 1.00 41.22 H new ATOM 0 HD22 ASN A 42 2.513 -2.975 -11.537 1.00 41.22 H new ATOM 669 N GLU A 43 3.270 1.800 -9.564 1.00 24.12 N ATOM 670 CA GLU A 43 3.308 3.215 -9.965 1.00 74.21 C ATOM 671 C GLU A 43 3.683 4.106 -8.765 1.00 63.12 C ATOM 672 O GLU A 43 4.623 4.900 -8.845 1.00 13.24 O ATOM 673 CB GLU A 43 1.931 3.634 -10.535 1.00 20.24 C ATOM 674 CG GLU A 43 1.874 5.091 -11.001 1.00 2.25 C ATOM 675 CD GLU A 43 0.481 5.550 -11.435 1.00 71.13 C ATOM 676 OE1 GLU A 43 -0.351 5.833 -10.556 1.00 2.01 O ATOM 677 OE2 GLU A 43 0.215 5.648 -12.655 1.00 74.22 O ATOM 0 H GLU A 43 2.323 1.433 -9.469 1.00 24.12 H new ATOM 0 HA GLU A 43 4.067 3.343 -10.737 1.00 74.21 H new ATOM 0 HB2 GLU A 43 1.682 2.984 -11.374 1.00 20.24 H new ATOM 0 HB3 GLU A 43 1.169 3.476 -9.772 1.00 20.24 H new ATOM 0 HG2 GLU A 43 2.222 5.734 -10.193 1.00 2.25 H new ATOM 0 HG3 GLU A 43 2.565 5.223 -11.834 1.00 2.25 H new ATOM 684 N LEU A 44 2.935 3.926 -7.652 1.00 22.21 N ATOM 685 CA LEU A 44 3.067 4.722 -6.403 1.00 42.24 C ATOM 686 C LEU A 44 4.515 4.657 -5.859 1.00 41.54 C ATOM 687 O LEU A 44 5.039 5.643 -5.320 1.00 74.01 O ATOM 688 CB LEU A 44 2.020 4.192 -5.364 1.00 4.21 C ATOM 689 CG LEU A 44 1.899 4.942 -3.972 1.00 61.52 C ATOM 690 CD1 LEU A 44 0.458 4.886 -3.416 1.00 23.15 C ATOM 691 CD2 LEU A 44 2.884 4.382 -2.910 1.00 23.23 C ATOM 0 H LEU A 44 2.209 3.212 -7.593 1.00 22.21 H new ATOM 0 HA LEU A 44 2.862 5.774 -6.603 1.00 42.24 H new ATOM 0 HB2 LEU A 44 1.039 4.213 -5.840 1.00 4.21 H new ATOM 0 HB3 LEU A 44 2.253 3.147 -5.160 1.00 4.21 H new ATOM 0 HG LEU A 44 2.164 5.981 -4.170 1.00 61.52 H new ATOM 0 HD11 LEU A 44 0.416 5.411 -2.461 1.00 23.15 H new ATOM 0 HD12 LEU A 44 -0.223 5.361 -4.122 1.00 23.15 H new ATOM 0 HD13 LEU A 44 0.164 3.846 -3.272 1.00 23.15 H new ATOM 0 HD21 LEU A 44 2.761 4.929 -1.975 1.00 23.23 H new ATOM 0 HD22 LEU A 44 2.676 3.325 -2.742 1.00 23.23 H new ATOM 0 HD23 LEU A 44 3.908 4.498 -3.266 1.00 23.23 H new ATOM 703 N LYS A 45 5.128 3.478 -6.036 1.00 50.54 N ATOM 704 CA LYS A 45 6.533 3.193 -5.707 1.00 72.10 C ATOM 705 C LYS A 45 7.498 4.200 -6.373 1.00 42.12 C ATOM 706 O LYS A 45 8.351 4.795 -5.702 1.00 41.33 O ATOM 707 CB LYS A 45 6.847 1.755 -6.185 1.00 52.21 C ATOM 708 CG LYS A 45 8.300 1.299 -6.000 1.00 1.54 C ATOM 709 CD LYS A 45 8.554 -0.110 -6.573 1.00 52.35 C ATOM 710 CE LYS A 45 8.297 -0.231 -8.085 1.00 72.10 C ATOM 711 NZ LYS A 45 8.546 -1.618 -8.569 1.00 0.02 N ATOM 0 H LYS A 45 4.644 2.669 -6.425 1.00 50.54 H new ATOM 0 HA LYS A 45 6.676 3.287 -4.630 1.00 72.10 H new ATOM 0 HB2 LYS A 45 6.197 1.063 -5.650 1.00 52.21 H new ATOM 0 HB3 LYS A 45 6.593 1.679 -7.242 1.00 52.21 H new ATOM 0 HG2 LYS A 45 8.966 2.011 -6.487 1.00 1.54 H new ATOM 0 HG3 LYS A 45 8.547 1.306 -4.938 1.00 1.54 H new ATOM 0 HD2 LYS A 45 9.586 -0.393 -6.367 1.00 52.35 H new ATOM 0 HD3 LYS A 45 7.918 -0.823 -6.049 1.00 52.35 H new ATOM 0 HE2 LYS A 45 7.268 0.053 -8.305 1.00 72.10 H new ATOM 0 HE3 LYS A 45 8.942 0.465 -8.622 1.00 72.10 H new ATOM 0 HZ1 LYS A 45 9.037 -1.583 -9.485 1.00 0.02 H new ATOM 0 HZ2 LYS A 45 9.136 -2.126 -7.879 1.00 0.02 H new ATOM 0 HZ3 LYS A 45 7.639 -2.115 -8.681 1.00 0.02 H new ATOM 725 N ASP A 46 7.333 4.380 -7.696 1.00 2.13 N ATOM 726 CA ASP A 46 8.180 5.277 -8.503 1.00 74.23 C ATOM 727 C ASP A 46 7.913 6.762 -8.182 1.00 63.33 C ATOM 728 O ASP A 46 8.777 7.601 -8.415 1.00 62.53 O ATOM 729 CB ASP A 46 7.985 5.003 -10.014 1.00 45.44 C ATOM 730 CG ASP A 46 8.550 3.639 -10.450 1.00 64.54 C ATOM 731 OD1 ASP A 46 9.777 3.534 -10.689 1.00 33.20 O ATOM 732 OD2 ASP A 46 7.784 2.667 -10.549 1.00 62.51 O ATOM 0 H ASP A 46 6.608 3.907 -8.236 1.00 2.13 H new ATOM 0 HA ASP A 46 9.217 5.067 -8.241 1.00 74.23 H new ATOM 0 HB2 ASP A 46 6.922 5.044 -10.252 1.00 45.44 H new ATOM 0 HB3 ASP A 46 8.471 5.793 -10.588 1.00 45.44 H new ATOM 737 N TYR A 47 6.707 7.076 -7.660 1.00 5.14 N ATOM 738 CA TYR A 47 6.365 8.443 -7.192 1.00 13.22 C ATOM 739 C TYR A 47 7.204 8.809 -5.951 1.00 44.43 C ATOM 740 O TYR A 47 7.824 9.871 -5.921 1.00 2.33 O ATOM 741 CB TYR A 47 4.842 8.578 -6.897 1.00 44.41 C ATOM 742 CG TYR A 47 3.963 8.799 -8.135 1.00 44.10 C ATOM 743 CD1 TYR A 47 4.026 7.949 -9.235 1.00 72.11 C ATOM 744 CD2 TYR A 47 3.069 9.870 -8.202 1.00 61.31 C ATOM 745 CE1 TYR A 47 3.235 8.154 -10.346 1.00 15.35 C ATOM 746 CE2 TYR A 47 2.271 10.074 -9.313 1.00 51.55 C ATOM 747 CZ TYR A 47 2.358 9.211 -10.380 1.00 0.24 C ATOM 748 OH TYR A 47 1.559 9.401 -11.491 1.00 74.23 O ATOM 0 H TYR A 47 5.950 6.401 -7.551 1.00 5.14 H new ATOM 0 HA TYR A 47 6.605 9.145 -7.991 1.00 13.22 H new ATOM 0 HB2 TYR A 47 4.504 7.677 -6.385 1.00 44.41 H new ATOM 0 HB3 TYR A 47 4.692 9.410 -6.209 1.00 44.41 H new ATOM 0 HD1 TYR A 47 4.708 7.112 -9.218 1.00 72.11 H new ATOM 0 HD2 TYR A 47 2.999 10.553 -7.369 1.00 61.31 H new ATOM 0 HE1 TYR A 47 3.305 7.483 -11.190 1.00 15.35 H new ATOM 0 HE2 TYR A 47 1.583 10.906 -9.342 1.00 51.55 H new ATOM 0 HH TYR A 47 0.995 10.191 -11.357 1.00 74.23 H new ATOM 758 N ILE A 48 7.244 7.892 -4.963 1.00 64.30 N ATOM 759 CA ILE A 48 8.064 8.049 -3.734 1.00 10.54 C ATOM 760 C ILE A 48 9.563 8.201 -4.102 1.00 74.32 C ATOM 761 O ILE A 48 10.245 9.124 -3.639 1.00 52.21 O ATOM 762 CB ILE A 48 7.907 6.813 -2.761 1.00 72.35 C ATOM 763 CG1 ILE A 48 6.414 6.592 -2.352 1.00 24.53 C ATOM 764 CG2 ILE A 48 8.811 6.959 -1.499 1.00 22.10 C ATOM 765 CD1 ILE A 48 6.181 5.376 -1.466 1.00 35.24 C ATOM 0 H ILE A 48 6.712 7.022 -4.990 1.00 64.30 H new ATOM 0 HA ILE A 48 7.707 8.944 -3.225 1.00 10.54 H new ATOM 0 HB ILE A 48 8.238 5.931 -3.308 1.00 72.35 H new ATOM 0 HG12 ILE A 48 6.057 7.480 -1.831 1.00 24.53 H new ATOM 0 HG13 ILE A 48 5.813 6.489 -3.256 1.00 24.53 H new ATOM 0 HG21 ILE A 48 8.677 6.091 -0.853 1.00 22.10 H new ATOM 0 HG22 ILE A 48 9.855 7.026 -1.805 1.00 22.10 H new ATOM 0 HG23 ILE A 48 8.534 7.862 -0.955 1.00 22.10 H new ATOM 0 HD11 ILE A 48 5.120 5.296 -1.229 1.00 35.24 H new ATOM 0 HD12 ILE A 48 6.504 4.477 -1.990 1.00 35.24 H new ATOM 0 HD13 ILE A 48 6.752 5.483 -0.543 1.00 35.24 H new ATOM 777 N LYS A 49 10.022 7.292 -4.983 1.00 42.22 N ATOM 778 CA LYS A 49 11.442 7.135 -5.349 1.00 70.21 C ATOM 779 C LYS A 49 11.963 8.355 -6.150 1.00 42.33 C ATOM 780 O LYS A 49 13.046 8.877 -5.859 1.00 50.00 O ATOM 781 CB LYS A 49 11.614 5.811 -6.148 1.00 33.01 C ATOM 782 CG LYS A 49 13.072 5.418 -6.487 1.00 43.32 C ATOM 783 CD LYS A 49 13.186 4.020 -7.160 1.00 14.35 C ATOM 784 CE LYS A 49 12.352 3.889 -8.450 1.00 30.02 C ATOM 785 NZ LYS A 49 12.450 2.536 -9.056 1.00 53.11 N ATOM 0 H LYS A 49 9.408 6.637 -5.467 1.00 42.22 H new ATOM 0 HA LYS A 49 12.042 7.085 -4.440 1.00 70.21 H new ATOM 0 HB2 LYS A 49 11.162 5.001 -5.575 1.00 33.01 H new ATOM 0 HB3 LYS A 49 11.053 5.894 -7.079 1.00 33.01 H new ATOM 0 HG2 LYS A 49 13.500 6.170 -7.150 1.00 43.32 H new ATOM 0 HG3 LYS A 49 13.666 5.424 -5.573 1.00 43.32 H new ATOM 0 HD2 LYS A 49 14.232 3.821 -7.391 1.00 14.35 H new ATOM 0 HD3 LYS A 49 12.866 3.257 -6.451 1.00 14.35 H new ATOM 0 HE2 LYS A 49 11.308 4.109 -8.228 1.00 30.02 H new ATOM 0 HE3 LYS A 49 12.688 4.633 -9.173 1.00 30.02 H new ATOM 0 HZ1 LYS A 49 11.872 2.500 -9.920 1.00 53.11 H new ATOM 0 HZ2 LYS A 49 13.442 2.333 -9.294 1.00 53.11 H new ATOM 0 HZ3 LYS A 49 12.105 1.826 -8.379 1.00 53.11 H new ATOM 799 N LYS A 50 11.159 8.818 -7.128 1.00 60.32 N ATOM 800 CA LYS A 50 11.545 9.926 -8.036 1.00 12.34 C ATOM 801 C LYS A 50 11.478 11.283 -7.315 1.00 14.41 C ATOM 802 O LYS A 50 12.370 12.121 -7.483 1.00 64.01 O ATOM 803 CB LYS A 50 10.643 9.949 -9.298 1.00 41.34 C ATOM 804 CG LYS A 50 11.007 11.038 -10.340 1.00 44.04 C ATOM 805 CD LYS A 50 10.052 11.051 -11.556 1.00 25.35 C ATOM 806 CE LYS A 50 8.583 11.327 -11.176 1.00 23.45 C ATOM 807 NZ LYS A 50 7.699 11.326 -12.372 1.00 71.10 N ATOM 0 H LYS A 50 10.230 8.440 -7.313 1.00 60.32 H new ATOM 0 HA LYS A 50 12.575 9.751 -8.347 1.00 12.34 H new ATOM 0 HB2 LYS A 50 10.694 8.973 -9.781 1.00 41.34 H new ATOM 0 HB3 LYS A 50 9.609 10.097 -8.985 1.00 41.34 H new ATOM 0 HG2 LYS A 50 10.987 12.016 -9.858 1.00 44.04 H new ATOM 0 HG3 LYS A 50 12.027 10.875 -10.687 1.00 44.04 H new ATOM 0 HD2 LYS A 50 10.386 11.810 -12.263 1.00 25.35 H new ATOM 0 HD3 LYS A 50 10.113 10.090 -12.067 1.00 25.35 H new ATOM 0 HE2 LYS A 50 8.241 10.571 -10.469 1.00 23.45 H new ATOM 0 HE3 LYS A 50 8.512 12.290 -10.671 1.00 23.45 H new ATOM 0 HZ1 LYS A 50 6.719 11.515 -12.079 1.00 71.10 H new ATOM 0 HZ2 LYS A 50 8.011 12.064 -13.035 1.00 71.10 H new ATOM 0 HZ3 LYS A 50 7.748 10.398 -12.839 1.00 71.10 H new ATOM 821 N GLN A 51 10.416 11.487 -6.509 1.00 3.12 N ATOM 822 CA GLN A 51 10.239 12.728 -5.726 1.00 23.30 C ATOM 823 C GLN A 51 11.219 12.777 -4.535 1.00 13.15 C ATOM 824 O GLN A 51 11.454 13.851 -3.974 1.00 41.24 O ATOM 825 CB GLN A 51 8.772 12.869 -5.225 1.00 42.33 C ATOM 826 CG GLN A 51 7.707 12.974 -6.341 1.00 22.23 C ATOM 827 CD GLN A 51 7.986 14.089 -7.353 1.00 54.44 C ATOM 828 OE1 GLN A 51 7.569 15.230 -7.174 1.00 3.12 O ATOM 829 NE2 GLN A 51 8.687 13.762 -8.430 1.00 75.10 N ATOM 0 H GLN A 51 9.666 10.807 -6.383 1.00 3.12 H new ATOM 0 HA GLN A 51 10.459 13.567 -6.386 1.00 23.30 H new ATOM 0 HB2 GLN A 51 8.535 12.011 -4.597 1.00 42.33 H new ATOM 0 HB3 GLN A 51 8.703 13.755 -4.594 1.00 42.33 H new ATOM 0 HG2 GLN A 51 7.651 12.022 -6.869 1.00 22.23 H new ATOM 0 HG3 GLN A 51 6.731 13.144 -5.886 1.00 22.23 H new ATOM 0 HE21 GLN A 51 9.020 12.805 -8.551 1.00 75.10 H new ATOM 0 HE22 GLN A 51 8.893 14.467 -9.138 1.00 75.10 H new ATOM 838 N GLY A 52 11.769 11.598 -4.153 1.00 2.52 N ATOM 839 CA GLY A 52 12.744 11.495 -3.066 1.00 12.15 C ATOM 840 C GLY A 52 12.133 11.831 -1.723 1.00 21.32 C ATOM 841 O GLY A 52 12.702 12.613 -0.950 1.00 14.52 O ATOM 0 H GLY A 52 11.544 10.705 -4.592 1.00 2.52 H new ATOM 0 HA2 GLY A 52 13.149 10.484 -3.037 1.00 12.15 H new ATOM 0 HA3 GLY A 52 13.579 12.167 -3.263 1.00 12.15 H new ATOM 845 N CYS A 53 10.948 11.244 -1.470 1.00 35.22 N ATOM 846 CA CYS A 53 10.162 11.493 -0.262 1.00 50.42 C ATOM 847 C CYS A 53 10.962 11.099 0.988 1.00 54.52 C ATOM 848 O CYS A 53 11.237 9.910 1.208 1.00 32.35 O ATOM 849 CB CYS A 53 8.842 10.721 -0.363 1.00 63.41 C ATOM 850 SG CYS A 53 7.912 11.133 -1.860 1.00 4.54 S ATOM 0 H CYS A 53 10.512 10.579 -2.108 1.00 35.22 H new ATOM 0 HA CYS A 53 9.937 12.556 -0.173 1.00 50.42 H new ATOM 0 HB2 CYS A 53 9.049 9.651 -0.350 1.00 63.41 H new ATOM 0 HB3 CYS A 53 8.230 10.938 0.512 1.00 63.41 H new ATOM 0 HG CYS A 53 7.451 12.345 -1.765 1.00 4.54 H new ATOM 856 N LYS A 54 11.347 12.134 1.769 1.00 24.44 N ATOM 857 CA LYS A 54 12.270 12.021 2.916 1.00 62.32 C ATOM 858 C LYS A 54 11.683 11.067 3.972 1.00 22.31 C ATOM 859 O LYS A 54 12.405 10.303 4.620 1.00 11.14 O ATOM 860 CB LYS A 54 12.532 13.444 3.515 1.00 30.23 C ATOM 861 CG LYS A 54 13.854 13.591 4.306 1.00 53.11 C ATOM 862 CD LYS A 54 15.102 13.522 3.389 1.00 75.14 C ATOM 863 CE LYS A 54 16.424 13.650 4.165 1.00 43.10 C ATOM 864 NZ LYS A 54 16.648 12.502 5.088 1.00 64.34 N ATOM 0 H LYS A 54 11.018 13.087 1.615 1.00 24.44 H new ATOM 0 HA LYS A 54 13.222 11.606 2.585 1.00 62.32 H new ATOM 0 HB2 LYS A 54 12.531 14.169 2.701 1.00 30.23 H new ATOM 0 HB3 LYS A 54 11.702 13.702 4.173 1.00 30.23 H new ATOM 0 HG2 LYS A 54 13.851 14.541 4.840 1.00 53.11 H new ATOM 0 HG3 LYS A 54 13.914 12.803 5.057 1.00 53.11 H new ATOM 0 HD2 LYS A 54 15.096 12.577 2.846 1.00 75.14 H new ATOM 0 HD3 LYS A 54 15.045 14.317 2.646 1.00 75.14 H new ATOM 0 HE2 LYS A 54 17.253 13.714 3.460 1.00 43.10 H new ATOM 0 HE3 LYS A 54 16.419 14.578 4.737 1.00 43.10 H new ATOM 0 HZ1 LYS A 54 17.580 12.596 5.539 1.00 64.34 H new ATOM 0 HZ2 LYS A 54 15.909 12.495 5.819 1.00 64.34 H new ATOM 0 HZ3 LYS A 54 16.611 11.612 4.551 1.00 64.34 H new ATOM 878 N ARG A 55 10.354 11.128 4.112 1.00 43.42 N ATOM 879 CA ARG A 55 9.569 10.154 4.883 1.00 12.51 C ATOM 880 C ARG A 55 8.300 9.819 4.075 1.00 33.51 C ATOM 881 O ARG A 55 7.697 10.719 3.481 1.00 1.42 O ATOM 882 CB ARG A 55 9.209 10.719 6.286 1.00 13.44 C ATOM 883 CG ARG A 55 8.788 9.648 7.320 1.00 1.24 C ATOM 884 CD ARG A 55 9.965 8.741 7.746 1.00 35.45 C ATOM 885 NE ARG A 55 9.541 7.708 8.708 1.00 64.22 N ATOM 886 CZ ARG A 55 10.234 7.293 9.776 1.00 20.55 C ATOM 887 NH1 ARG A 55 11.419 7.813 10.084 1.00 12.21 N ATOM 888 NH2 ARG A 55 9.732 6.323 10.527 1.00 75.12 N ATOM 0 H ARG A 55 9.786 11.862 3.689 1.00 43.42 H new ATOM 0 HA ARG A 55 10.152 9.248 5.047 1.00 12.51 H new ATOM 0 HB2 ARG A 55 10.069 11.264 6.676 1.00 13.44 H new ATOM 0 HB3 ARG A 55 8.398 11.439 6.177 1.00 13.44 H new ATOM 0 HG2 ARG A 55 8.376 10.140 8.201 1.00 1.24 H new ATOM 0 HG3 ARG A 55 7.994 9.033 6.898 1.00 1.24 H new ATOM 0 HD2 ARG A 55 10.393 8.263 6.865 1.00 35.45 H new ATOM 0 HD3 ARG A 55 10.751 9.351 8.191 1.00 35.45 H new ATOM 0 HE ARG A 55 8.635 7.268 8.545 1.00 64.22 H new ATOM 0 HH11 ARG A 55 11.821 8.547 9.501 1.00 12.21 H new ATOM 0 HH12 ARG A 55 11.925 7.478 10.904 1.00 12.21 H new ATOM 0 HH21 ARG A 55 8.832 5.906 10.287 1.00 75.12 H new ATOM 0 HH22 ARG A 55 10.245 5.993 11.345 1.00 75.12 H new ATOM 902 N SER A 56 7.921 8.535 4.030 1.00 22.30 N ATOM 903 CA SER A 56 6.747 8.074 3.266 1.00 1.31 C ATOM 904 C SER A 56 5.951 7.042 4.081 1.00 51.55 C ATOM 905 O SER A 56 6.540 6.132 4.672 1.00 14.11 O ATOM 906 CB SER A 56 7.209 7.481 1.913 1.00 22.21 C ATOM 907 OG SER A 56 8.161 6.437 2.087 1.00 40.31 O ATOM 0 H SER A 56 8.414 7.788 4.518 1.00 22.30 H new ATOM 0 HA SER A 56 6.089 8.920 3.067 1.00 1.31 H new ATOM 0 HB2 SER A 56 6.345 7.097 1.371 1.00 22.21 H new ATOM 0 HB3 SER A 56 7.644 8.271 1.301 1.00 22.21 H new ATOM 0 HG SER A 56 8.190 5.882 1.279 1.00 40.31 H new ATOM 913 N ARG A 57 4.619 7.195 4.093 1.00 71.24 N ATOM 914 CA ARG A 57 3.699 6.284 4.796 1.00 61.12 C ATOM 915 C ARG A 57 2.636 5.793 3.818 1.00 21.22 C ATOM 916 O ARG A 57 1.770 6.566 3.435 1.00 31.13 O ATOM 917 CB ARG A 57 2.998 7.022 5.980 1.00 33.24 C ATOM 918 CG ARG A 57 1.890 6.184 6.686 1.00 73.44 C ATOM 919 CD ARG A 57 0.974 7.013 7.602 1.00 24.42 C ATOM 920 NE ARG A 57 -0.202 6.227 8.032 1.00 25.24 N ATOM 921 CZ ARG A 57 -1.367 6.722 8.468 1.00 63.24 C ATOM 922 NH1 ARG A 57 -1.584 8.034 8.552 1.00 40.23 N ATOM 923 NH2 ARG A 57 -2.317 5.886 8.851 1.00 60.34 N ATOM 0 H ARG A 57 4.145 7.959 3.612 1.00 71.24 H new ATOM 0 HA ARG A 57 4.269 5.443 5.190 1.00 61.12 H new ATOM 0 HB2 ARG A 57 3.751 7.302 6.716 1.00 33.24 H new ATOM 0 HB3 ARG A 57 2.557 7.947 5.608 1.00 33.24 H new ATOM 0 HG2 ARG A 57 1.281 5.692 5.928 1.00 73.44 H new ATOM 0 HG3 ARG A 57 2.362 5.398 7.275 1.00 73.44 H new ATOM 0 HD2 ARG A 57 1.533 7.344 8.477 1.00 24.42 H new ATOM 0 HD3 ARG A 57 0.644 7.909 7.076 1.00 24.42 H new ATOM 0 HE ARG A 57 -0.118 5.211 7.993 1.00 25.24 H new ATOM 0 HH11 ARG A 57 -0.852 8.690 8.280 1.00 40.23 H new ATOM 0 HH12 ARG A 57 -2.482 8.382 8.888 1.00 40.23 H new ATOM 0 HH21 ARG A 57 -2.157 4.879 8.812 1.00 60.34 H new ATOM 0 HH22 ARG A 57 -3.210 6.248 9.186 1.00 60.34 H new ATOM 937 N THR A 58 2.669 4.512 3.443 1.00 44.43 N ATOM 938 CA THR A 58 1.631 3.936 2.575 1.00 34.23 C ATOM 939 C THR A 58 0.601 3.217 3.460 1.00 44.51 C ATOM 940 O THR A 58 0.972 2.483 4.386 1.00 45.34 O ATOM 941 CB THR A 58 2.236 2.946 1.541 1.00 71.42 C ATOM 942 OG1 THR A 58 3.401 3.525 0.933 1.00 72.51 O ATOM 943 CG2 THR A 58 1.240 2.552 0.431 1.00 33.55 C ATOM 0 H THR A 58 3.397 3.855 3.723 1.00 44.43 H new ATOM 0 HA THR A 58 1.153 4.738 2.012 1.00 34.23 H new ATOM 0 HB THR A 58 2.494 2.041 2.092 1.00 71.42 H new ATOM 0 HG1 THR A 58 4.116 3.597 1.599 1.00 72.51 H new ATOM 0 HG21 THR A 58 1.721 1.859 -0.260 1.00 33.55 H new ATOM 0 HG22 THR A 58 0.369 2.073 0.877 1.00 33.55 H new ATOM 0 HG23 THR A 58 0.926 3.445 -0.110 1.00 33.55 H new ATOM 951 N SER A 59 -0.681 3.478 3.194 1.00 53.25 N ATOM 952 CA SER A 59 -1.802 2.923 3.957 1.00 21.54 C ATOM 953 C SER A 59 -2.891 2.461 2.966 1.00 11.40 C ATOM 954 O SER A 59 -3.396 3.260 2.171 1.00 32.24 O ATOM 955 CB SER A 59 -2.331 3.994 4.943 1.00 1.45 C ATOM 956 OG SER A 59 -1.329 4.357 5.892 1.00 54.42 O ATOM 0 H SER A 59 -0.974 4.089 2.432 1.00 53.25 H new ATOM 0 HA SER A 59 -1.487 2.061 4.545 1.00 21.54 H new ATOM 0 HB2 SER A 59 -2.649 4.877 4.389 1.00 1.45 H new ATOM 0 HB3 SER A 59 -3.209 3.611 5.464 1.00 1.45 H new ATOM 0 HG SER A 59 -1.137 5.315 5.815 1.00 54.42 H new ATOM 962 N ILE A 60 -3.225 1.155 3.014 1.00 61.42 N ATOM 963 CA ILE A 60 -4.189 0.504 2.098 1.00 71.14 C ATOM 964 C ILE A 60 -5.469 0.114 2.877 1.00 1.02 C ATOM 965 O ILE A 60 -5.373 -0.428 3.984 1.00 4.20 O ATOM 966 CB ILE A 60 -3.542 -0.782 1.441 1.00 74.31 C ATOM 967 CG1 ILE A 60 -2.287 -0.404 0.589 1.00 72.10 C ATOM 968 CG2 ILE A 60 -4.565 -1.567 0.589 1.00 34.44 C ATOM 969 CD1 ILE A 60 -1.568 -1.591 -0.038 1.00 72.11 C ATOM 0 H ILE A 60 -2.828 0.512 3.699 1.00 61.42 H new ATOM 0 HA ILE A 60 -4.451 1.205 1.305 1.00 71.14 H new ATOM 0 HB ILE A 60 -3.222 -1.434 2.254 1.00 74.31 H new ATOM 0 HG12 ILE A 60 -2.594 0.279 -0.203 1.00 72.10 H new ATOM 0 HG13 ILE A 60 -1.584 0.138 1.222 1.00 72.10 H new ATOM 0 HG21 ILE A 60 -4.082 -2.442 0.155 1.00 34.44 H new ATOM 0 HG22 ILE A 60 -5.395 -1.886 1.219 1.00 34.44 H new ATOM 0 HG23 ILE A 60 -4.941 -0.927 -0.209 1.00 34.44 H new ATOM 0 HD11 ILE A 60 -0.711 -1.236 -0.610 1.00 72.11 H new ATOM 0 HD12 ILE A 60 -1.226 -2.265 0.747 1.00 72.11 H new ATOM 0 HD13 ILE A 60 -2.252 -2.122 -0.700 1.00 72.11 H new ATOM 981 N THR A 61 -6.651 0.426 2.305 1.00 44.10 N ATOM 982 CA THR A 61 -7.961 0.065 2.884 1.00 33.42 C ATOM 983 C THR A 61 -8.129 -1.474 2.956 1.00 35.12 C ATOM 984 O THR A 61 -8.128 -2.146 1.916 1.00 34.11 O ATOM 985 CB THR A 61 -9.110 0.688 2.028 1.00 3.10 C ATOM 986 OG1 THR A 61 -8.910 2.104 1.923 1.00 1.33 O ATOM 987 CG2 THR A 61 -10.508 0.422 2.607 1.00 73.22 C ATOM 0 H THR A 61 -6.723 0.937 1.425 1.00 44.10 H new ATOM 0 HA THR A 61 -8.010 0.462 3.898 1.00 33.42 H new ATOM 0 HB THR A 61 -9.070 0.210 1.049 1.00 3.10 H new ATOM 0 HG1 THR A 61 -8.062 2.282 1.465 1.00 1.33 H new ATOM 0 HG21 THR A 61 -11.261 0.881 1.966 1.00 73.22 H new ATOM 0 HG22 THR A 61 -10.682 -0.653 2.659 1.00 73.22 H new ATOM 0 HG23 THR A 61 -10.575 0.849 3.608 1.00 73.22 H new ATOM 995 N ALA A 62 -8.248 -2.004 4.188 1.00 64.02 N ATOM 996 CA ALA A 62 -8.392 -3.444 4.453 1.00 12.11 C ATOM 997 C ALA A 62 -8.839 -3.653 5.910 1.00 12.13 C ATOM 998 O ALA A 62 -8.022 -3.550 6.835 1.00 72.35 O ATOM 999 CB ALA A 62 -7.071 -4.183 4.178 1.00 60.22 C ATOM 0 H ALA A 62 -8.247 -1.436 5.035 1.00 64.02 H new ATOM 0 HA ALA A 62 -9.148 -3.856 3.785 1.00 12.11 H new ATOM 0 HB1 ALA A 62 -7.200 -5.246 4.380 1.00 60.22 H new ATOM 0 HB2 ALA A 62 -6.787 -4.044 3.135 1.00 60.22 H new ATOM 0 HB3 ALA A 62 -6.289 -3.783 4.824 1.00 60.22 H new ATOM 1005 N ARG A 63 -10.152 -3.870 6.107 1.00 12.41 N ATOM 1006 CA ARG A 63 -10.738 -4.187 7.433 1.00 40.24 C ATOM 1007 C ARG A 63 -11.009 -5.689 7.541 1.00 61.30 C ATOM 1008 O ARG A 63 -11.004 -6.247 8.647 1.00 42.32 O ATOM 1009 CB ARG A 63 -12.033 -3.350 7.763 1.00 41.10 C ATOM 1010 CG ARG A 63 -12.937 -2.970 6.560 1.00 72.24 C ATOM 1011 CD ARG A 63 -12.432 -1.717 5.814 1.00 63.44 C ATOM 1012 NE ARG A 63 -13.291 -1.364 4.671 1.00 50.34 N ATOM 1013 CZ ARG A 63 -13.595 -0.113 4.293 1.00 71.31 C ATOM 1014 NH1 ARG A 63 -13.137 0.947 4.962 1.00 1.03 N ATOM 1015 NH2 ARG A 63 -14.331 0.074 3.211 1.00 22.25 N ATOM 0 H ARG A 63 -10.841 -3.832 5.356 1.00 12.41 H new ATOM 0 HA ARG A 63 -10.001 -3.897 8.182 1.00 40.24 H new ATOM 0 HB2 ARG A 63 -12.633 -3.916 8.475 1.00 41.10 H new ATOM 0 HB3 ARG A 63 -11.727 -2.431 8.264 1.00 41.10 H new ATOM 0 HG2 ARG A 63 -12.983 -3.809 5.865 1.00 72.24 H new ATOM 0 HG3 ARG A 63 -13.953 -2.793 6.914 1.00 72.24 H new ATOM 0 HD2 ARG A 63 -12.389 -0.877 6.507 1.00 63.44 H new ATOM 0 HD3 ARG A 63 -11.415 -1.892 5.462 1.00 63.44 H new ATOM 0 HE ARG A 63 -13.685 -2.130 4.125 1.00 50.34 H new ATOM 0 HH11 ARG A 63 -12.542 0.816 5.780 1.00 1.03 H new ATOM 0 HH12 ARG A 63 -13.382 1.888 4.655 1.00 1.03 H new ATOM 0 HH21 ARG A 63 -14.661 -0.728 2.674 1.00 22.25 H new ATOM 0 HH22 ARG A 63 -14.569 1.020 2.913 1.00 22.25 H new ATOM 1029 N THR A 64 -11.256 -6.335 6.393 1.00 13.33 N ATOM 1030 CA THR A 64 -11.304 -7.795 6.307 1.00 34.15 C ATOM 1031 C THR A 64 -9.864 -8.326 6.455 1.00 3.42 C ATOM 1032 O THR A 64 -8.984 -7.957 5.673 1.00 2.52 O ATOM 1033 CB THR A 64 -11.969 -8.249 4.966 1.00 64.11 C ATOM 1034 OG1 THR A 64 -11.424 -7.493 3.878 1.00 34.32 O ATOM 1035 CG2 THR A 64 -13.496 -8.054 4.990 1.00 11.44 C ATOM 0 H THR A 64 -11.427 -5.861 5.506 1.00 13.33 H new ATOM 0 HA THR A 64 -11.920 -8.208 7.106 1.00 34.15 H new ATOM 0 HB THR A 64 -11.760 -9.311 4.838 1.00 64.11 H new ATOM 0 HG1 THR A 64 -11.215 -8.095 3.134 1.00 34.32 H new ATOM 0 HG21 THR A 64 -13.920 -8.381 4.040 1.00 11.44 H new ATOM 0 HG22 THR A 64 -13.925 -8.643 5.801 1.00 11.44 H new ATOM 0 HG23 THR A 64 -13.726 -7.000 5.146 1.00 11.44 H new ATOM 1043 N LYS A 65 -9.646 -9.148 7.502 1.00 31.25 N ATOM 1044 CA LYS A 65 -8.304 -9.527 7.985 1.00 14.33 C ATOM 1045 C LYS A 65 -7.456 -10.236 6.907 1.00 42.12 C ATOM 1046 O LYS A 65 -6.273 -9.957 6.798 1.00 33.02 O ATOM 1047 CB LYS A 65 -8.431 -10.409 9.253 1.00 30.22 C ATOM 1048 CG LYS A 65 -7.083 -10.852 9.873 1.00 65.24 C ATOM 1049 CD LYS A 65 -7.251 -11.825 11.067 1.00 72.31 C ATOM 1050 CE LYS A 65 -8.032 -13.103 10.699 1.00 23.33 C ATOM 1051 NZ LYS A 65 -8.120 -14.046 11.841 1.00 63.12 N ATOM 0 H LYS A 65 -10.403 -9.570 8.040 1.00 31.25 H new ATOM 0 HA LYS A 65 -7.776 -8.606 8.232 1.00 14.33 H new ATOM 0 HB2 LYS A 65 -8.998 -9.860 10.005 1.00 30.22 H new ATOM 0 HB3 LYS A 65 -9.010 -11.298 9.004 1.00 30.22 H new ATOM 0 HG2 LYS A 65 -6.477 -11.332 9.104 1.00 65.24 H new ATOM 0 HG3 LYS A 65 -6.536 -9.970 10.206 1.00 65.24 H new ATOM 0 HD2 LYS A 65 -6.266 -12.103 11.443 1.00 72.31 H new ATOM 0 HD3 LYS A 65 -7.768 -11.311 11.877 1.00 72.31 H new ATOM 0 HE2 LYS A 65 -9.036 -12.833 10.373 1.00 23.33 H new ATOM 0 HE3 LYS A 65 -7.545 -13.596 9.858 1.00 23.33 H new ATOM 0 HZ1 LYS A 65 -8.652 -14.892 11.553 1.00 63.12 H new ATOM 0 HZ2 LYS A 65 -7.162 -14.324 12.136 1.00 63.12 H new ATOM 0 HZ3 LYS A 65 -8.607 -13.585 12.636 1.00 63.12 H new ATOM 1065 N LYS A 66 -8.079 -11.137 6.112 1.00 65.34 N ATOM 1066 CA LYS A 66 -7.397 -11.847 4.992 1.00 53.02 C ATOM 1067 C LYS A 66 -6.789 -10.848 3.991 1.00 43.40 C ATOM 1068 O LYS A 66 -5.643 -11.006 3.547 1.00 23.13 O ATOM 1069 CB LYS A 66 -8.390 -12.798 4.264 1.00 61.44 C ATOM 1070 CG LYS A 66 -8.922 -13.943 5.154 1.00 2.42 C ATOM 1071 CD LYS A 66 -9.967 -14.834 4.448 1.00 51.24 C ATOM 1072 CE LYS A 66 -10.480 -15.980 5.343 1.00 73.20 C ATOM 1073 NZ LYS A 66 -11.128 -15.477 6.583 1.00 53.54 N ATOM 0 H LYS A 66 -9.060 -11.394 6.223 1.00 65.34 H new ATOM 0 HA LYS A 66 -6.587 -12.441 5.416 1.00 53.02 H new ATOM 0 HB2 LYS A 66 -9.234 -12.214 3.896 1.00 61.44 H new ATOM 0 HB3 LYS A 66 -7.895 -13.227 3.393 1.00 61.44 H new ATOM 0 HG2 LYS A 66 -8.085 -14.563 5.475 1.00 2.42 H new ATOM 0 HG3 LYS A 66 -9.367 -13.517 6.053 1.00 2.42 H new ATOM 0 HD2 LYS A 66 -10.810 -14.218 4.135 1.00 51.24 H new ATOM 0 HD3 LYS A 66 -9.527 -15.255 3.544 1.00 51.24 H new ATOM 0 HE2 LYS A 66 -11.192 -16.585 4.783 1.00 73.20 H new ATOM 0 HE3 LYS A 66 -9.648 -16.632 5.609 1.00 73.20 H new ATOM 0 HZ1 LYS A 66 -11.576 -16.269 7.087 1.00 53.54 H new ATOM 0 HZ2 LYS A 66 -10.411 -15.038 7.196 1.00 53.54 H new ATOM 0 HZ3 LYS A 66 -11.851 -14.771 6.335 1.00 53.54 H new ATOM 1087 N GLU A 67 -7.575 -9.804 3.682 1.00 34.41 N ATOM 1088 CA GLU A 67 -7.169 -8.707 2.792 1.00 43.35 C ATOM 1089 C GLU A 67 -6.059 -7.871 3.446 1.00 2.24 C ATOM 1090 O GLU A 67 -5.114 -7.478 2.778 1.00 43.32 O ATOM 1091 CB GLU A 67 -8.393 -7.833 2.394 1.00 31.15 C ATOM 1092 CG GLU A 67 -9.304 -8.479 1.316 1.00 4.04 C ATOM 1093 CD GLU A 67 -9.742 -9.931 1.626 1.00 43.13 C ATOM 1094 OE1 GLU A 67 -10.662 -10.127 2.451 1.00 72.44 O ATOM 1095 OE2 GLU A 67 -9.165 -10.883 1.050 1.00 52.50 O ATOM 0 H GLU A 67 -8.521 -9.698 4.048 1.00 34.41 H new ATOM 0 HA GLU A 67 -6.766 -9.133 1.873 1.00 43.35 H new ATOM 0 HB2 GLU A 67 -8.988 -7.631 3.285 1.00 31.15 H new ATOM 0 HB3 GLU A 67 -8.036 -6.872 2.025 1.00 31.15 H new ATOM 0 HG2 GLU A 67 -10.195 -7.863 1.196 1.00 4.04 H new ATOM 0 HG3 GLU A 67 -8.778 -8.468 0.361 1.00 4.04 H new ATOM 1102 N ALA A 68 -6.161 -7.666 4.767 1.00 73.51 N ATOM 1103 CA ALA A 68 -5.142 -6.932 5.549 1.00 63.14 C ATOM 1104 C ALA A 68 -3.765 -7.614 5.469 1.00 40.44 C ATOM 1105 O ALA A 68 -2.745 -6.935 5.383 1.00 44.43 O ATOM 1106 CB ALA A 68 -5.608 -6.785 7.001 1.00 34.30 C ATOM 0 H ALA A 68 -6.946 -8.000 5.326 1.00 73.51 H new ATOM 0 HA ALA A 68 -5.026 -5.938 5.116 1.00 63.14 H new ATOM 0 HB1 ALA A 68 -4.854 -6.244 7.572 1.00 34.30 H new ATOM 0 HB2 ALA A 68 -6.548 -6.234 7.027 1.00 34.30 H new ATOM 0 HB3 ALA A 68 -5.754 -7.773 7.438 1.00 34.30 H new ATOM 1112 N GLU A 69 -3.777 -8.960 5.451 1.00 23.24 N ATOM 1113 CA GLU A 69 -2.557 -9.788 5.367 1.00 31.31 C ATOM 1114 C GLU A 69 -1.892 -9.693 3.978 1.00 12.41 C ATOM 1115 O GLU A 69 -0.699 -9.389 3.875 1.00 23.31 O ATOM 1116 CB GLU A 69 -2.909 -11.263 5.668 1.00 4.35 C ATOM 1117 CG GLU A 69 -3.567 -11.512 7.038 1.00 23.12 C ATOM 1118 CD GLU A 69 -2.762 -10.959 8.221 1.00 12.32 C ATOM 1119 OE1 GLU A 69 -1.757 -11.603 8.611 1.00 34.11 O ATOM 1120 OE2 GLU A 69 -3.138 -9.906 8.781 1.00 22.41 O ATOM 0 H GLU A 69 -4.637 -9.507 5.494 1.00 23.24 H new ATOM 0 HA GLU A 69 -1.849 -9.411 6.105 1.00 31.31 H new ATOM 0 HB2 GLU A 69 -3.579 -11.626 4.889 1.00 4.35 H new ATOM 0 HB3 GLU A 69 -1.997 -11.857 5.607 1.00 4.35 H new ATOM 0 HG2 GLU A 69 -4.559 -11.059 7.042 1.00 23.12 H new ATOM 0 HG3 GLU A 69 -3.706 -12.584 7.175 1.00 23.12 H new ATOM 1127 N LYS A 70 -2.678 -9.988 2.919 1.00 62.44 N ATOM 1128 CA LYS A 70 -2.166 -10.027 1.533 1.00 21.12 C ATOM 1129 C LYS A 70 -1.728 -8.623 1.058 1.00 11.12 C ATOM 1130 O LYS A 70 -0.667 -8.484 0.456 1.00 73.10 O ATOM 1131 CB LYS A 70 -3.212 -10.659 0.567 1.00 3.34 C ATOM 1132 CG LYS A 70 -4.597 -9.983 0.577 1.00 60.00 C ATOM 1133 CD LYS A 70 -5.627 -10.612 -0.395 1.00 22.43 C ATOM 1134 CE LYS A 70 -5.211 -10.531 -1.875 1.00 1.21 C ATOM 1135 NZ LYS A 70 -6.310 -10.988 -2.774 1.00 13.44 N ATOM 0 H LYS A 70 -3.672 -10.203 2.999 1.00 62.44 H new ATOM 0 HA LYS A 70 -1.282 -10.664 1.521 1.00 21.12 H new ATOM 0 HB2 LYS A 70 -2.815 -10.625 -0.447 1.00 3.34 H new ATOM 0 HB3 LYS A 70 -3.335 -11.711 0.826 1.00 3.34 H new ATOM 0 HG2 LYS A 70 -5.000 -10.024 1.589 1.00 60.00 H new ATOM 0 HG3 LYS A 70 -4.475 -8.930 0.325 1.00 60.00 H new ATOM 0 HD2 LYS A 70 -5.776 -11.658 -0.125 1.00 22.43 H new ATOM 0 HD3 LYS A 70 -6.586 -10.110 -0.268 1.00 22.43 H new ATOM 0 HE2 LYS A 70 -4.939 -9.505 -2.123 1.00 1.21 H new ATOM 0 HE3 LYS A 70 -4.325 -11.144 -2.040 1.00 1.21 H new ATOM 0 HZ1 LYS A 70 -6.052 -10.796 -3.763 1.00 13.44 H new ATOM 0 HZ2 LYS A 70 -6.460 -12.009 -2.648 1.00 13.44 H new ATOM 0 HZ3 LYS A 70 -7.185 -10.478 -2.539 1.00 13.44 H new ATOM 1149 N PHE A 71 -2.534 -7.587 1.386 1.00 50.50 N ATOM 1150 CA PHE A 71 -2.254 -6.179 1.001 1.00 22.32 C ATOM 1151 C PHE A 71 -0.987 -5.661 1.712 1.00 10.35 C ATOM 1152 O PHE A 71 -0.221 -4.881 1.135 1.00 51.30 O ATOM 1153 CB PHE A 71 -3.470 -5.248 1.313 1.00 30.52 C ATOM 1154 CG PHE A 71 -4.780 -5.543 0.540 1.00 31.33 C ATOM 1155 CD1 PHE A 71 -4.866 -6.537 -0.451 1.00 52.44 C ATOM 1156 CD2 PHE A 71 -5.935 -4.817 0.820 1.00 24.33 C ATOM 1157 CE1 PHE A 71 -6.056 -6.780 -1.119 1.00 14.23 C ATOM 1158 CE2 PHE A 71 -7.120 -5.065 0.151 1.00 34.50 C ATOM 1159 CZ PHE A 71 -7.178 -6.045 -0.815 1.00 73.01 C ATOM 0 H PHE A 71 -3.394 -7.700 1.923 1.00 50.50 H new ATOM 0 HA PHE A 71 -2.084 -6.160 -0.076 1.00 22.32 H new ATOM 0 HB2 PHE A 71 -3.682 -5.309 2.380 1.00 30.52 H new ATOM 0 HB3 PHE A 71 -3.175 -4.219 1.105 1.00 30.52 H new ATOM 0 HD1 PHE A 71 -3.991 -7.120 -0.696 1.00 52.44 H new ATOM 0 HD2 PHE A 71 -5.905 -4.045 1.575 1.00 24.33 H new ATOM 0 HE1 PHE A 71 -6.102 -7.547 -1.878 1.00 14.23 H new ATOM 0 HE2 PHE A 71 -8.002 -4.489 0.387 1.00 34.50 H new ATOM 0 HZ PHE A 71 -8.105 -6.236 -1.334 1.00 73.01 H new ATOM 1169 N ALA A 72 -0.792 -6.115 2.971 1.00 53.25 N ATOM 1170 CA ALA A 72 0.418 -5.824 3.758 1.00 2.05 C ATOM 1171 C ALA A 72 1.660 -6.472 3.124 1.00 75.32 C ATOM 1172 O ALA A 72 2.686 -5.822 3.000 1.00 13.20 O ATOM 1173 CB ALA A 72 0.255 -6.306 5.205 1.00 15.12 C ATOM 0 H ALA A 72 -1.472 -6.693 3.466 1.00 53.25 H new ATOM 0 HA ALA A 72 0.557 -4.743 3.762 1.00 2.05 H new ATOM 0 HB1 ALA A 72 1.161 -6.081 5.768 1.00 15.12 H new ATOM 0 HB2 ALA A 72 -0.593 -5.798 5.664 1.00 15.12 H new ATOM 0 HB3 ALA A 72 0.081 -7.382 5.213 1.00 15.12 H new ATOM 1179 N ALA A 73 1.533 -7.750 2.708 1.00 13.03 N ATOM 1180 CA ALA A 73 2.648 -8.534 2.121 1.00 3.14 C ATOM 1181 C ALA A 73 3.180 -7.883 0.821 1.00 15.42 C ATOM 1182 O ALA A 73 4.396 -7.744 0.622 1.00 0.34 O ATOM 1183 CB ALA A 73 2.176 -9.971 1.857 1.00 42.20 C ATOM 0 H ALA A 73 0.657 -8.269 2.768 1.00 13.03 H new ATOM 0 HA ALA A 73 3.474 -8.549 2.832 1.00 3.14 H new ATOM 0 HB1 ALA A 73 2.993 -10.549 1.426 1.00 42.20 H new ATOM 0 HB2 ALA A 73 1.863 -10.429 2.795 1.00 42.20 H new ATOM 0 HB3 ALA A 73 1.336 -9.956 1.162 1.00 42.20 H new ATOM 1189 N ILE A 74 2.230 -7.472 -0.037 1.00 34.41 N ATOM 1190 CA ILE A 74 2.503 -6.785 -1.313 1.00 44.43 C ATOM 1191 C ILE A 74 3.106 -5.380 -1.042 1.00 1.33 C ATOM 1192 O ILE A 74 3.944 -4.900 -1.805 1.00 41.34 O ATOM 1193 CB ILE A 74 1.179 -6.681 -2.172 1.00 63.42 C ATOM 1194 CG1 ILE A 74 0.547 -8.100 -2.377 1.00 10.13 C ATOM 1195 CG2 ILE A 74 1.426 -5.997 -3.543 1.00 43.35 C ATOM 1196 CD1 ILE A 74 -0.844 -8.088 -2.987 1.00 70.44 C ATOM 0 H ILE A 74 1.235 -7.610 0.139 1.00 34.41 H new ATOM 0 HA ILE A 74 3.230 -7.364 -1.883 1.00 44.43 H new ATOM 0 HB ILE A 74 0.480 -6.055 -1.617 1.00 63.42 H new ATOM 0 HG12 ILE A 74 1.205 -8.688 -3.016 1.00 10.13 H new ATOM 0 HG13 ILE A 74 0.503 -8.607 -1.413 1.00 10.13 H new ATOM 0 HG21 ILE A 74 0.490 -5.947 -4.099 1.00 43.35 H new ATOM 0 HG22 ILE A 74 1.807 -4.988 -3.383 1.00 43.35 H new ATOM 0 HG23 ILE A 74 2.155 -6.574 -4.112 1.00 43.35 H new ATOM 0 HD11 ILE A 74 -1.204 -9.111 -3.093 1.00 70.44 H new ATOM 0 HD12 ILE A 74 -1.521 -7.531 -2.339 1.00 70.44 H new ATOM 0 HD13 ILE A 74 -0.807 -7.613 -3.967 1.00 70.44 H new ATOM 1208 N LEU A 75 2.689 -4.753 0.079 1.00 62.04 N ATOM 1209 CA LEU A 75 3.185 -3.426 0.506 1.00 63.44 C ATOM 1210 C LEU A 75 4.649 -3.538 1.042 1.00 74.23 C ATOM 1211 O LEU A 75 5.471 -2.646 0.791 1.00 15.52 O ATOM 1212 CB LEU A 75 2.206 -2.796 1.564 1.00 54.12 C ATOM 1213 CG LEU A 75 1.979 -1.250 1.484 1.00 5.21 C ATOM 1214 CD1 LEU A 75 0.933 -0.775 2.521 1.00 73.20 C ATOM 1215 CD2 LEU A 75 3.301 -0.479 1.626 1.00 30.04 C ATOM 0 H LEU A 75 1.998 -5.153 0.714 1.00 62.04 H new ATOM 0 HA LEU A 75 3.210 -2.755 -0.353 1.00 63.44 H new ATOM 0 HB2 LEU A 75 1.238 -3.287 1.465 1.00 54.12 H new ATOM 0 HB3 LEU A 75 2.583 -3.033 2.559 1.00 54.12 H new ATOM 0 HG LEU A 75 1.578 -1.032 0.494 1.00 5.21 H new ATOM 0 HD11 LEU A 75 0.801 0.304 2.437 1.00 73.20 H new ATOM 0 HD12 LEU A 75 -0.018 -1.273 2.333 1.00 73.20 H new ATOM 0 HD13 LEU A 75 1.279 -1.021 3.525 1.00 73.20 H new ATOM 0 HD21 LEU A 75 3.106 0.592 1.566 1.00 30.04 H new ATOM 0 HD22 LEU A 75 3.756 -0.711 2.589 1.00 30.04 H new ATOM 0 HD23 LEU A 75 3.980 -0.770 0.824 1.00 30.04 H new ATOM 1227 N ILE A 76 4.958 -4.647 1.753 1.00 2.50 N ATOM 1228 CA ILE A 76 6.333 -4.969 2.213 1.00 20.14 C ATOM 1229 C ILE A 76 7.252 -5.138 0.991 1.00 63.32 C ATOM 1230 O ILE A 76 8.410 -4.707 1.016 1.00 24.50 O ATOM 1231 CB ILE A 76 6.369 -6.264 3.157 1.00 31.22 C ATOM 1232 CG1 ILE A 76 6.187 -5.886 4.667 1.00 12.22 C ATOM 1233 CG2 ILE A 76 7.651 -7.118 2.983 1.00 43.34 C ATOM 1234 CD1 ILE A 76 4.898 -5.176 5.012 1.00 3.04 C ATOM 0 H ILE A 76 4.264 -5.344 2.025 1.00 2.50 H new ATOM 0 HA ILE A 76 6.695 -4.140 2.822 1.00 20.14 H new ATOM 0 HB ILE A 76 5.525 -6.875 2.835 1.00 31.22 H new ATOM 0 HG12 ILE A 76 6.249 -6.798 5.261 1.00 12.22 H new ATOM 0 HG13 ILE A 76 7.021 -5.252 4.967 1.00 12.22 H new ATOM 0 HG21 ILE A 76 7.609 -7.978 3.652 1.00 43.34 H new ATOM 0 HG22 ILE A 76 7.721 -7.463 1.952 1.00 43.34 H new ATOM 0 HG23 ILE A 76 8.526 -6.514 3.223 1.00 43.34 H new ATOM 0 HD11 ILE A 76 4.875 -4.962 6.080 1.00 3.04 H new ATOM 0 HD12 ILE A 76 4.836 -4.242 4.453 1.00 3.04 H new ATOM 0 HD13 ILE A 76 4.052 -5.811 4.751 1.00 3.04 H new ATOM 1246 N LYS A 77 6.705 -5.760 -0.078 1.00 4.11 N ATOM 1247 CA LYS A 77 7.402 -5.919 -1.358 1.00 23.23 C ATOM 1248 C LYS A 77 7.780 -4.541 -1.949 1.00 23.02 C ATOM 1249 O LYS A 77 8.923 -4.342 -2.334 1.00 11.33 O ATOM 1250 CB LYS A 77 6.529 -6.732 -2.363 1.00 61.05 C ATOM 1251 CG LYS A 77 7.219 -7.112 -3.715 1.00 44.21 C ATOM 1252 CD LYS A 77 7.997 -8.462 -3.694 1.00 32.24 C ATOM 1253 CE LYS A 77 9.201 -8.482 -2.736 1.00 32.20 C ATOM 1254 NZ LYS A 77 9.894 -9.796 -2.725 1.00 11.34 N ATOM 0 H LYS A 77 5.768 -6.163 -0.069 1.00 4.11 H new ATOM 0 HA LYS A 77 8.322 -6.476 -1.179 1.00 23.23 H new ATOM 0 HB2 LYS A 77 6.204 -7.650 -1.873 1.00 61.05 H new ATOM 0 HB3 LYS A 77 5.632 -6.154 -2.585 1.00 61.05 H new ATOM 0 HG2 LYS A 77 6.458 -7.159 -4.494 1.00 44.21 H new ATOM 0 HG3 LYS A 77 7.909 -6.315 -3.991 1.00 44.21 H new ATOM 0 HD2 LYS A 77 7.310 -9.260 -3.413 1.00 32.24 H new ATOM 0 HD3 LYS A 77 8.346 -8.683 -4.703 1.00 32.24 H new ATOM 0 HE2 LYS A 77 9.907 -7.704 -3.028 1.00 32.20 H new ATOM 0 HE3 LYS A 77 8.863 -8.244 -1.727 1.00 32.20 H new ATOM 0 HZ1 LYS A 77 10.697 -9.759 -2.065 1.00 11.34 H new ATOM 0 HZ2 LYS A 77 9.230 -10.536 -2.421 1.00 11.34 H new ATOM 0 HZ3 LYS A 77 10.241 -10.013 -3.681 1.00 11.34 H new ATOM 1268 N VAL A 78 6.811 -3.594 -1.953 1.00 15.15 N ATOM 1269 CA VAL A 78 7.004 -2.204 -2.451 1.00 74.40 C ATOM 1270 C VAL A 78 8.108 -1.467 -1.644 1.00 43.22 C ATOM 1271 O VAL A 78 8.955 -0.776 -2.213 1.00 61.03 O ATOM 1272 CB VAL A 78 5.649 -1.384 -2.391 1.00 33.12 C ATOM 1273 CG1 VAL A 78 5.825 0.087 -2.852 1.00 74.10 C ATOM 1274 CG2 VAL A 78 4.549 -2.084 -3.225 1.00 10.14 C ATOM 0 H VAL A 78 5.867 -3.771 -1.610 1.00 15.15 H new ATOM 0 HA VAL A 78 7.323 -2.272 -3.491 1.00 74.40 H new ATOM 0 HB VAL A 78 5.341 -1.358 -1.346 1.00 33.12 H new ATOM 0 HG11 VAL A 78 4.867 0.604 -2.792 1.00 74.10 H new ATOM 0 HG12 VAL A 78 6.548 0.586 -2.207 1.00 74.10 H new ATOM 0 HG13 VAL A 78 6.183 0.105 -3.881 1.00 74.10 H new ATOM 0 HG21 VAL A 78 3.627 -1.505 -3.170 1.00 10.14 H new ATOM 0 HG22 VAL A 78 4.871 -2.157 -4.264 1.00 10.14 H new ATOM 0 HG23 VAL A 78 4.373 -3.084 -2.829 1.00 10.14 H new ATOM 1284 N TYR A 79 8.089 -1.659 -0.314 1.00 24.13 N ATOM 1285 CA TYR A 79 9.076 -1.055 0.621 1.00 1.53 C ATOM 1286 C TYR A 79 10.446 -1.766 0.556 1.00 60.01 C ATOM 1287 O TYR A 79 11.473 -1.182 0.931 1.00 4.43 O ATOM 1288 CB TYR A 79 8.495 -1.037 2.072 1.00 41.31 C ATOM 1289 CG TYR A 79 7.676 0.226 2.416 1.00 12.21 C ATOM 1290 CD1 TYR A 79 6.756 0.772 1.514 1.00 63.00 C ATOM 1291 CD2 TYR A 79 7.843 0.883 3.644 1.00 13.20 C ATOM 1292 CE1 TYR A 79 6.038 1.912 1.827 1.00 23.01 C ATOM 1293 CE2 TYR A 79 7.123 2.022 3.955 1.00 72.21 C ATOM 1294 CZ TYR A 79 6.222 2.531 3.044 1.00 44.10 C ATOM 1295 OH TYR A 79 5.500 3.667 3.350 1.00 30.10 O ATOM 0 H TYR A 79 7.390 -2.238 0.152 1.00 24.13 H new ATOM 0 HA TYR A 79 9.255 -0.026 0.311 1.00 1.53 H new ATOM 0 HB2 TYR A 79 7.862 -1.914 2.208 1.00 41.31 H new ATOM 0 HB3 TYR A 79 9.318 -1.126 2.781 1.00 41.31 H new ATOM 0 HD1 TYR A 79 6.604 0.295 0.557 1.00 63.00 H new ATOM 0 HD2 TYR A 79 8.549 0.491 4.362 1.00 13.20 H new ATOM 0 HE1 TYR A 79 5.333 2.317 1.117 1.00 23.01 H new ATOM 0 HE2 TYR A 79 7.266 2.511 4.907 1.00 72.21 H new ATOM 0 HH TYR A 79 6.088 4.322 3.781 1.00 30.10 H new ATOM 1305 N ALA A 80 10.456 -3.007 0.053 1.00 42.33 N ATOM 1306 CA ALA A 80 11.697 -3.764 -0.186 1.00 42.33 C ATOM 1307 C ALA A 80 12.347 -3.300 -1.495 1.00 1.12 C ATOM 1308 O ALA A 80 13.571 -3.245 -1.600 1.00 21.22 O ATOM 1309 CB ALA A 80 11.409 -5.274 -0.179 1.00 2.11 C ATOM 0 H ALA A 80 9.609 -3.515 -0.200 1.00 42.33 H new ATOM 0 HA ALA A 80 12.406 -3.570 0.618 1.00 42.33 H new ATOM 0 HB1 ALA A 80 12.334 -5.822 -0.357 1.00 2.11 H new ATOM 0 HB2 ALA A 80 10.997 -5.561 0.788 1.00 2.11 H new ATOM 0 HB3 ALA A 80 10.691 -5.511 -0.964 1.00 2.11 H new ATOM 1315 N GLU A 81 11.498 -2.924 -2.474 1.00 25.13 N ATOM 1316 CA GLU A 81 11.927 -2.309 -3.749 1.00 11.31 C ATOM 1317 C GLU A 81 12.623 -0.952 -3.501 1.00 55.15 C ATOM 1318 O GLU A 81 13.492 -0.534 -4.272 1.00 4.43 O ATOM 1319 CB GLU A 81 10.689 -2.076 -4.650 1.00 52.53 C ATOM 1320 CG GLU A 81 9.893 -3.335 -5.069 1.00 72.02 C ATOM 1321 CD GLU A 81 10.502 -4.089 -6.259 1.00 63.32 C ATOM 1322 OE1 GLU A 81 11.403 -4.929 -6.057 1.00 50.42 O ATOM 1323 OE2 GLU A 81 10.083 -3.838 -7.415 1.00 24.55 O ATOM 0 H GLU A 81 10.487 -3.039 -2.402 1.00 25.13 H new ATOM 0 HA GLU A 81 12.631 -2.985 -4.235 1.00 11.31 H new ATOM 0 HB2 GLU A 81 10.010 -1.401 -4.129 1.00 52.53 H new ATOM 0 HB3 GLU A 81 11.017 -1.563 -5.554 1.00 52.53 H new ATOM 0 HG2 GLU A 81 9.828 -4.012 -4.217 1.00 72.02 H new ATOM 0 HG3 GLU A 81 8.874 -3.041 -5.321 1.00 72.02 H new ATOM 1330 N LEU A 82 12.189 -0.256 -2.434 1.00 24.10 N ATOM 1331 CA LEU A 82 12.705 1.073 -2.061 1.00 34.12 C ATOM 1332 C LEU A 82 13.808 0.971 -0.986 1.00 74.25 C ATOM 1333 O LEU A 82 14.621 1.892 -0.847 1.00 60.32 O ATOM 1334 CB LEU A 82 11.532 1.970 -1.568 1.00 22.31 C ATOM 1335 CG LEU A 82 10.396 2.228 -2.612 1.00 42.43 C ATOM 1336 CD1 LEU A 82 9.253 3.082 -2.024 1.00 64.12 C ATOM 1337 CD2 LEU A 82 10.962 2.862 -3.904 1.00 0.14 C ATOM 0 H LEU A 82 11.466 -0.602 -1.803 1.00 24.10 H new ATOM 0 HA LEU A 82 13.156 1.528 -2.943 1.00 34.12 H new ATOM 0 HB2 LEU A 82 11.091 1.508 -0.684 1.00 22.31 H new ATOM 0 HB3 LEU A 82 11.940 2.931 -1.256 1.00 22.31 H new ATOM 0 HG LEU A 82 9.969 1.259 -2.871 1.00 42.43 H new ATOM 0 HD11 LEU A 82 8.486 3.236 -2.783 1.00 64.12 H new ATOM 0 HD12 LEU A 82 8.817 2.567 -1.168 1.00 64.12 H new ATOM 0 HD13 LEU A 82 9.647 4.047 -1.705 1.00 64.12 H new ATOM 0 HD21 LEU A 82 10.151 3.031 -4.612 1.00 0.14 H new ATOM 0 HD22 LEU A 82 11.438 3.813 -3.664 1.00 0.14 H new ATOM 0 HD23 LEU A 82 11.697 2.190 -4.347 1.00 0.14 H new ATOM 1349 N GLY A 83 13.831 -0.155 -0.232 1.00 41.50 N ATOM 1350 CA GLY A 83 14.765 -0.319 0.887 1.00 15.02 C ATOM 1351 C GLY A 83 15.058 -1.782 1.220 1.00 61.14 C ATOM 1352 O GLY A 83 15.846 -2.438 0.528 1.00 60.14 O ATOM 0 H GLY A 83 13.214 -0.953 -0.384 1.00 41.50 H new ATOM 0 HA2 GLY A 83 15.701 0.186 0.647 1.00 15.02 H new ATOM 0 HA3 GLY A 83 14.354 0.172 1.769 1.00 15.02 H new ATOM 1403 N ILE A 87 10.479 -4.558 7.480 1.00 12.34 N ATOM 1404 CA ILE A 87 9.603 -3.363 7.457 1.00 2.32 C ATOM 1405 C ILE A 87 8.604 -3.432 8.628 1.00 13.41 C ATOM 1406 O ILE A 87 8.121 -4.519 8.976 1.00 53.44 O ATOM 1407 CB ILE A 87 8.832 -3.246 6.079 1.00 41.20 C ATOM 1408 CG1 ILE A 87 9.821 -3.221 4.866 1.00 53.12 C ATOM 1409 CG2 ILE A 87 7.929 -1.996 6.046 1.00 34.31 C ATOM 1410 CD1 ILE A 87 10.797 -2.048 4.861 1.00 54.15 C ATOM 0 HA ILE A 87 10.225 -2.474 7.565 1.00 2.32 H new ATOM 0 HB ILE A 87 8.204 -4.132 5.992 1.00 41.20 H new ATOM 0 HG12 ILE A 87 10.391 -4.150 4.861 1.00 53.12 H new ATOM 0 HG13 ILE A 87 9.242 -3.197 3.943 1.00 53.12 H new ATOM 0 HG21 ILE A 87 7.414 -1.945 5.087 1.00 34.31 H new ATOM 0 HG22 ILE A 87 7.195 -2.056 6.850 1.00 34.31 H new ATOM 0 HG23 ILE A 87 8.539 -1.103 6.178 1.00 34.31 H new ATOM 0 HD11 ILE A 87 11.441 -2.115 3.984 1.00 54.15 H new ATOM 0 HD12 ILE A 87 10.240 -1.111 4.832 1.00 54.15 H new ATOM 0 HD13 ILE A 87 11.408 -2.079 5.763 1.00 54.15 H new ATOM 1422 N ASN A 88 8.288 -2.265 9.217 1.00 35.20 N ATOM 1423 CA ASN A 88 7.374 -2.162 10.360 1.00 44.21 C ATOM 1424 C ASN A 88 5.930 -2.067 9.846 1.00 62.10 C ATOM 1425 O ASN A 88 5.600 -1.181 9.050 1.00 35.22 O ATOM 1426 CB ASN A 88 7.735 -0.923 11.217 1.00 72.12 C ATOM 1427 CG ASN A 88 6.714 -0.635 12.333 1.00 61.03 C ATOM 1428 OD1 ASN A 88 6.814 -1.175 13.431 1.00 45.22 O ATOM 1429 ND2 ASN A 88 5.721 0.204 12.054 1.00 3.32 N ATOM 0 H ASN A 88 8.662 -1.367 8.910 1.00 35.20 H new ATOM 0 HA ASN A 88 7.468 -3.048 10.988 1.00 44.21 H new ATOM 0 HB2 ASN A 88 8.718 -1.073 11.663 1.00 72.12 H new ATOM 0 HB3 ASN A 88 7.809 -0.050 10.568 1.00 72.12 H new ATOM 0 HD21 ASN A 88 5.017 0.414 12.761 1.00 3.32 H new ATOM 0 HD22 ASN A 88 5.664 0.638 11.133 1.00 3.32 H new ATOM 1436 N VAL A 89 5.091 -3.019 10.290 1.00 11.01 N ATOM 1437 CA VAL A 89 3.649 -3.064 9.982 1.00 51.04 C ATOM 1438 C VAL A 89 2.862 -2.633 11.231 1.00 4.44 C ATOM 1439 O VAL A 89 3.251 -2.959 12.358 1.00 4.24 O ATOM 1440 CB VAL A 89 3.182 -4.512 9.548 1.00 35.23 C ATOM 1441 CG1 VAL A 89 1.732 -4.505 8.991 1.00 0.34 C ATOM 1442 CG2 VAL A 89 4.163 -5.125 8.529 1.00 44.14 C ATOM 0 H VAL A 89 5.399 -3.791 10.882 1.00 11.01 H new ATOM 0 HA VAL A 89 3.458 -2.389 9.148 1.00 51.04 H new ATOM 0 HB VAL A 89 3.184 -5.137 10.441 1.00 35.23 H new ATOM 0 HG11 VAL A 89 1.448 -5.517 8.704 1.00 0.34 H new ATOM 0 HG12 VAL A 89 1.049 -4.140 9.758 1.00 0.34 H new ATOM 0 HG13 VAL A 89 1.680 -3.853 8.119 1.00 0.34 H new ATOM 0 HG21 VAL A 89 3.820 -6.120 8.247 1.00 44.14 H new ATOM 0 HG22 VAL A 89 4.210 -4.492 7.643 1.00 44.14 H new ATOM 0 HG23 VAL A 89 5.154 -5.197 8.976 1.00 44.14 H new ATOM 1452 N THR A 90 1.786 -1.878 11.013 1.00 40.34 N ATOM 1453 CA THR A 90 0.814 -1.507 12.042 1.00 33.12 C ATOM 1454 C THR A 90 -0.577 -1.552 11.386 1.00 23.33 C ATOM 1455 O THR A 90 -0.912 -0.689 10.566 1.00 64.41 O ATOM 1456 CB THR A 90 1.107 -0.071 12.618 1.00 2.42 C ATOM 1457 OG1 THR A 90 2.453 -0.012 13.126 1.00 40.42 O ATOM 1458 CG2 THR A 90 0.121 0.319 13.740 1.00 2.42 C ATOM 0 H THR A 90 1.560 -1.498 10.094 1.00 40.34 H new ATOM 0 HA THR A 90 0.873 -2.199 12.882 1.00 33.12 H new ATOM 0 HB THR A 90 0.981 0.638 11.800 1.00 2.42 H new ATOM 0 HG1 THR A 90 2.630 0.884 13.481 1.00 40.42 H new ATOM 0 HG21 THR A 90 0.363 1.317 14.106 1.00 2.42 H new ATOM 0 HG22 THR A 90 -0.896 0.312 13.349 1.00 2.42 H new ATOM 0 HG23 THR A 90 0.200 -0.397 14.559 1.00 2.42 H new ATOM 1466 N TRP A 91 -1.361 -2.583 11.711 1.00 25.24 N ATOM 1467 CA TRP A 91 -2.729 -2.728 11.206 1.00 2.11 C ATOM 1468 C TRP A 91 -3.680 -2.090 12.222 1.00 11.04 C ATOM 1469 O TRP A 91 -3.887 -2.638 13.307 1.00 4.25 O ATOM 1470 CB TRP A 91 -3.071 -4.225 10.958 1.00 23.10 C ATOM 1471 CG TRP A 91 -4.474 -4.466 10.418 1.00 11.23 C ATOM 1472 CD1 TRP A 91 -5.060 -3.838 9.352 1.00 54.41 C ATOM 1473 CD2 TRP A 91 -5.454 -5.407 10.906 1.00 53.02 C ATOM 1474 NE1 TRP A 91 -6.331 -4.306 9.163 1.00 42.43 N ATOM 1475 CE2 TRP A 91 -6.594 -5.276 10.091 1.00 5.12 C ATOM 1476 CE3 TRP A 91 -5.480 -6.344 11.947 1.00 72.13 C ATOM 1477 CZ2 TRP A 91 -7.744 -6.039 10.282 1.00 34.43 C ATOM 1478 CZ3 TRP A 91 -6.623 -7.105 12.135 1.00 52.21 C ATOM 1479 CH2 TRP A 91 -7.743 -6.947 11.304 1.00 32.22 C ATOM 0 H TRP A 91 -1.067 -3.339 12.330 1.00 25.24 H new ATOM 0 HA TRP A 91 -2.834 -2.223 10.246 1.00 2.11 H new ATOM 0 HB2 TRP A 91 -2.348 -4.639 10.255 1.00 23.10 H new ATOM 0 HB3 TRP A 91 -2.956 -4.772 11.894 1.00 23.10 H new ATOM 0 HD1 TRP A 91 -4.586 -3.080 8.746 1.00 54.41 H new ATOM 0 HE1 TRP A 91 -6.979 -3.983 8.445 1.00 42.43 H new ATOM 0 HE3 TRP A 91 -4.623 -6.471 12.592 1.00 72.13 H new ATOM 0 HZ2 TRP A 91 -8.607 -5.917 9.644 1.00 34.43 H new ATOM 0 HZ3 TRP A 91 -6.652 -7.831 12.934 1.00 52.21 H new ATOM 0 HH2 TRP A 91 -8.620 -7.554 11.475 1.00 32.22 H new ATOM 1490 N ASP A 92 -4.194 -0.899 11.867 1.00 31.02 N ATOM 1491 CA ASP A 92 -5.191 -0.158 12.659 1.00 74.12 C ATOM 1492 C ASP A 92 -6.433 -1.027 12.928 1.00 30.44 C ATOM 1493 O ASP A 92 -6.925 -1.114 14.058 1.00 30.14 O ATOM 1494 CB ASP A 92 -5.570 1.151 11.899 1.00 53.32 C ATOM 1495 CG ASP A 92 -6.888 1.803 12.371 1.00 2.54 C ATOM 1496 OD1 ASP A 92 -6.891 2.476 13.420 1.00 24.20 O ATOM 1497 OD2 ASP A 92 -7.925 1.649 11.672 1.00 71.24 O ATOM 0 H ASP A 92 -3.924 -0.417 11.009 1.00 31.02 H new ATOM 0 HA ASP A 92 -4.766 0.103 13.628 1.00 74.12 H new ATOM 0 HB2 ASP A 92 -4.760 1.872 12.015 1.00 53.32 H new ATOM 0 HB3 ASP A 92 -5.649 0.929 10.835 1.00 53.32 H new ATOM 1502 N GLY A 93 -6.898 -1.698 11.866 1.00 24.31 N ATOM 1503 CA GLY A 93 -8.112 -2.496 11.903 1.00 13.54 C ATOM 1504 C GLY A 93 -8.963 -2.233 10.680 1.00 3.42 C ATOM 1505 O GLY A 93 -9.545 -3.152 10.120 1.00 43.23 O ATOM 0 H GLY A 93 -6.435 -1.697 10.957 1.00 24.31 H new ATOM 0 HA2 GLY A 93 -7.856 -3.554 11.953 1.00 13.54 H new ATOM 0 HA3 GLY A 93 -8.679 -2.262 12.804 1.00 13.54 H new ATOM 1509 N ASP A 94 -9.052 -0.948 10.293 1.00 63.25 N ATOM 1510 CA ASP A 94 -9.770 -0.500 9.079 1.00 30.41 C ATOM 1511 C ASP A 94 -8.788 -0.347 7.914 1.00 45.51 C ATOM 1512 O ASP A 94 -9.123 -0.628 6.759 1.00 73.14 O ATOM 1513 CB ASP A 94 -10.508 0.844 9.351 1.00 1.33 C ATOM 1514 CG ASP A 94 -11.212 1.417 8.103 1.00 4.51 C ATOM 1515 OD1 ASP A 94 -12.369 1.040 7.827 1.00 72.42 O ATOM 1516 OD2 ASP A 94 -10.614 2.244 7.387 1.00 22.24 O ATOM 0 H ASP A 94 -8.626 -0.183 10.816 1.00 63.25 H new ATOM 0 HA ASP A 94 -10.513 -1.252 8.812 1.00 30.41 H new ATOM 0 HB2 ASP A 94 -11.246 0.692 10.139 1.00 1.33 H new ATOM 0 HB3 ASP A 94 -9.791 1.576 9.723 1.00 1.33 H new ATOM 1521 N THR A 95 -7.574 0.119 8.233 1.00 62.41 N ATOM 1522 CA THR A 95 -6.520 0.389 7.246 1.00 30.10 C ATOM 1523 C THR A 95 -5.201 -0.238 7.729 1.00 72.54 C ATOM 1524 O THR A 95 -4.889 -0.182 8.928 1.00 24.30 O ATOM 1525 CB THR A 95 -6.342 1.936 7.056 1.00 10.33 C ATOM 1526 OG1 THR A 95 -7.622 2.548 6.819 1.00 62.03 O ATOM 1527 CG2 THR A 95 -5.409 2.292 5.895 1.00 53.44 C ATOM 0 H THR A 95 -7.293 0.321 9.192 1.00 62.41 H new ATOM 0 HA THR A 95 -6.801 -0.048 6.288 1.00 30.10 H new ATOM 0 HB THR A 95 -5.891 2.312 7.974 1.00 10.33 H new ATOM 0 HG1 THR A 95 -7.506 3.514 6.703 1.00 62.03 H new ATOM 0 HG21 THR A 95 -5.326 3.376 5.814 1.00 53.44 H new ATOM 0 HG22 THR A 95 -4.423 1.865 6.077 1.00 53.44 H new ATOM 0 HG23 THR A 95 -5.813 1.889 4.967 1.00 53.44 H new ATOM 1535 N VAL A 96 -4.451 -0.863 6.802 1.00 74.12 N ATOM 1536 CA VAL A 96 -3.112 -1.399 7.091 1.00 51.24 C ATOM 1537 C VAL A 96 -2.031 -0.348 6.727 1.00 11.52 C ATOM 1538 O VAL A 96 -1.817 -0.016 5.554 1.00 64.35 O ATOM 1539 CB VAL A 96 -2.868 -2.795 6.376 1.00 43.35 C ATOM 1540 CG1 VAL A 96 -3.057 -2.738 4.836 1.00 14.42 C ATOM 1541 CG2 VAL A 96 -1.480 -3.367 6.766 1.00 34.02 C ATOM 0 H VAL A 96 -4.755 -1.009 5.839 1.00 74.12 H new ATOM 0 HA VAL A 96 -3.040 -1.596 8.161 1.00 51.24 H new ATOM 0 HB VAL A 96 -3.639 -3.476 6.737 1.00 43.35 H new ATOM 0 HG11 VAL A 96 -2.875 -3.725 4.410 1.00 14.42 H new ATOM 0 HG12 VAL A 96 -4.075 -2.425 4.606 1.00 14.42 H new ATOM 0 HG13 VAL A 96 -2.353 -2.024 4.409 1.00 14.42 H new ATOM 0 HG21 VAL A 96 -1.328 -4.324 6.268 1.00 34.02 H new ATOM 0 HG22 VAL A 96 -0.700 -2.670 6.459 1.00 34.02 H new ATOM 0 HG23 VAL A 96 -1.435 -3.509 7.846 1.00 34.02 H new ATOM 1551 N THR A 97 -1.413 0.219 7.774 1.00 65.13 N ATOM 1552 CA THR A 97 -0.306 1.183 7.669 1.00 4.40 C ATOM 1553 C THR A 97 1.031 0.428 7.733 1.00 63.21 C ATOM 1554 O THR A 97 1.350 -0.199 8.738 1.00 10.23 O ATOM 1555 CB THR A 97 -0.398 2.246 8.819 1.00 12.13 C ATOM 1556 OG1 THR A 97 -1.558 3.070 8.611 1.00 44.35 O ATOM 1557 CG2 THR A 97 0.855 3.140 8.925 1.00 73.13 C ATOM 0 H THR A 97 -1.674 0.016 8.739 1.00 65.13 H new ATOM 0 HA THR A 97 -0.373 1.710 6.717 1.00 4.40 H new ATOM 0 HB THR A 97 -0.472 1.696 9.757 1.00 12.13 H new ATOM 0 HG1 THR A 97 -1.517 3.474 7.719 1.00 44.35 H new ATOM 0 HG21 THR A 97 0.726 3.853 9.740 1.00 73.13 H new ATOM 0 HG22 THR A 97 1.729 2.519 9.121 1.00 73.13 H new ATOM 0 HG23 THR A 97 0.996 3.681 7.989 1.00 73.13 H new ATOM 1565 N VAL A 98 1.778 0.464 6.634 1.00 44.33 N ATOM 1566 CA VAL A 98 3.136 -0.083 6.552 1.00 4.31 C ATOM 1567 C VAL A 98 4.090 1.104 6.387 1.00 61.35 C ATOM 1568 O VAL A 98 4.043 1.805 5.367 1.00 23.22 O ATOM 1569 CB VAL A 98 3.241 -1.109 5.366 1.00 54.02 C ATOM 1570 CG1 VAL A 98 4.689 -1.534 5.085 1.00 34.13 C ATOM 1571 CG2 VAL A 98 2.344 -2.347 5.634 1.00 74.32 C ATOM 0 H VAL A 98 1.456 0.879 5.760 1.00 44.33 H new ATOM 0 HA VAL A 98 3.400 -0.636 7.453 1.00 4.31 H new ATOM 0 HB VAL A 98 2.882 -0.602 4.471 1.00 54.02 H new ATOM 0 HG11 VAL A 98 4.706 -2.243 4.257 1.00 34.13 H new ATOM 0 HG12 VAL A 98 5.281 -0.657 4.824 1.00 34.13 H new ATOM 0 HG13 VAL A 98 5.109 -2.004 5.974 1.00 34.13 H new ATOM 0 HG21 VAL A 98 2.430 -3.046 4.802 1.00 74.32 H new ATOM 0 HG22 VAL A 98 2.665 -2.836 6.554 1.00 74.32 H new ATOM 0 HG23 VAL A 98 1.306 -2.029 5.735 1.00 74.32 H new ATOM 1581 N GLU A 99 4.895 1.360 7.433 1.00 35.04 N ATOM 1582 CA GLU A 99 5.760 2.547 7.524 1.00 14.52 C ATOM 1583 C GLU A 99 6.979 2.197 8.397 1.00 63.25 C ATOM 1584 O GLU A 99 6.820 1.564 9.441 1.00 62.13 O ATOM 1585 CB GLU A 99 4.955 3.744 8.135 1.00 44.02 C ATOM 1586 CG GLU A 99 5.490 5.165 7.821 1.00 40.34 C ATOM 1587 CD GLU A 99 6.888 5.489 8.374 1.00 73.52 C ATOM 1588 OE1 GLU A 99 7.026 5.648 9.610 1.00 10.32 O ATOM 1589 OE2 GLU A 99 7.852 5.577 7.582 1.00 73.43 O ATOM 0 H GLU A 99 4.963 0.745 8.244 1.00 35.04 H new ATOM 0 HA GLU A 99 6.103 2.846 6.533 1.00 14.52 H new ATOM 0 HB2 GLU A 99 3.926 3.680 7.781 1.00 44.02 H new ATOM 0 HB3 GLU A 99 4.928 3.620 9.218 1.00 44.02 H new ATOM 0 HG2 GLU A 99 5.508 5.295 6.739 1.00 40.34 H new ATOM 0 HG3 GLU A 99 4.784 5.895 8.218 1.00 40.34 H new ATOM 1596 N GLY A 100 8.173 2.652 7.970 1.00 22.00 N ATOM 1597 CA GLY A 100 9.423 2.440 8.708 1.00 10.22 C ATOM 1598 C GLY A 100 10.010 1.053 8.485 1.00 25.42 C ATOM 1599 O GLY A 100 9.465 0.260 7.709 1.00 75.43 O ATOM 0 H GLY A 100 8.293 3.176 7.103 1.00 22.00 H new ATOM 0 HA2 GLY A 100 10.152 3.191 8.404 1.00 10.22 H new ATOM 0 HA3 GLY A 100 9.241 2.586 9.773 1.00 10.22 H new