USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 439 GLN :FLIP amide:sc= 0.0965 F(o=-1.2,f=0.19) USER MOD Set 1.2: A 443 TYR OH : rot 127:sc= 0.095 USER MOD Single : A 404 SER OG : rot -33:sc= 0.195 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.85) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl -111:sc= -0.481 (180deg=-2.81!) USER MOD Single : A 442 HIS : no HD1:sc=-0.00259 X(o=-0.0026,f=-0.0061) USER MOD Single : A 445 GLN : amide:sc= -0.0094 K(o=-0.0094,f=-0.99) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot -25:sc= 0.101 USER MOD Single : A 463 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.086) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 7.737 20.047 8.945 1.00 71.12 N ATOM 11 CA SER A 404 7.287 21.090 9.851 1.00 33.02 C ATOM 12 C SER A 404 6.473 22.187 9.146 1.00 20.40 C ATOM 13 O SER A 404 6.026 23.136 9.780 1.00 31.54 O ATOM 14 CB SER A 404 8.486 21.676 10.587 1.00 30.11 C ATOM 15 OG SER A 404 9.489 22.088 9.667 1.00 4.41 O ATOM 0 HA SER A 404 6.607 20.634 10.570 1.00 33.02 H new ATOM 0 HB2 SER A 404 8.168 22.526 11.191 1.00 30.11 H new ATOM 0 HB3 SER A 404 8.897 20.934 11.272 1.00 30.11 H new ATOM 0 HG SER A 404 9.482 21.494 8.887 1.00 4.41 H new ATOM 21 N LYS A 405 6.279 22.045 7.850 1.00 51.24 N ATOM 22 CA LYS A 405 5.510 22.997 7.069 1.00 22.35 C ATOM 23 C LYS A 405 4.029 23.009 7.506 1.00 54.55 C ATOM 24 O LYS A 405 3.372 24.054 7.478 1.00 13.12 O ATOM 25 CB LYS A 405 5.659 22.675 5.567 1.00 13.01 C ATOM 26 CG LYS A 405 4.888 23.589 4.619 1.00 61.21 C ATOM 27 CD LYS A 405 5.272 25.053 4.796 1.00 53.31 C ATOM 28 CE LYS A 405 4.521 25.934 3.815 1.00 2.01 C ATOM 29 NZ LYS A 405 4.753 27.375 4.061 1.00 52.42 N ATOM 0 H LYS A 405 6.650 21.266 7.307 1.00 51.24 H new ATOM 0 HA LYS A 405 5.899 23.999 7.247 1.00 22.35 H new ATOM 0 HB2 LYS A 405 6.717 22.720 5.307 1.00 13.01 H new ATOM 0 HB3 LYS A 405 5.333 21.649 5.399 1.00 13.01 H new ATOM 0 HG2 LYS A 405 5.079 23.287 3.589 1.00 61.21 H new ATOM 0 HG3 LYS A 405 3.818 23.472 4.793 1.00 61.21 H new ATOM 0 HD2 LYS A 405 5.053 25.369 5.816 1.00 53.31 H new ATOM 0 HD3 LYS A 405 6.345 25.172 4.649 1.00 53.31 H new ATOM 0 HE2 LYS A 405 4.829 25.687 2.799 1.00 2.01 H new ATOM 0 HE3 LYS A 405 3.454 25.723 3.884 1.00 2.01 H new ATOM 0 HZ1 LYS A 405 4.220 27.936 3.366 1.00 52.42 H new ATOM 0 HZ2 LYS A 405 4.435 27.619 5.021 1.00 52.42 H new ATOM 0 HZ3 LYS A 405 5.768 27.584 3.969 1.00 52.42 H new ATOM 43 N ILE A 406 3.539 21.863 7.960 1.00 44.23 N ATOM 44 CA ILE A 406 2.139 21.726 8.370 1.00 10.45 C ATOM 45 C ILE A 406 1.957 22.137 9.861 1.00 35.31 C ATOM 46 O ILE A 406 0.835 22.309 10.348 1.00 71.33 O ATOM 47 CB ILE A 406 1.641 20.254 8.142 1.00 65.02 C ATOM 48 CG1 ILE A 406 0.132 20.116 8.416 1.00 3.42 C ATOM 49 CG2 ILE A 406 2.437 19.273 9.006 1.00 60.25 C ATOM 50 CD1 ILE A 406 -0.427 18.722 8.179 1.00 42.03 C ATOM 0 H ILE A 406 4.089 21.009 8.056 1.00 44.23 H new ATOM 0 HA ILE A 406 1.537 22.395 7.755 1.00 10.45 H new ATOM 0 HB ILE A 406 1.810 20.010 7.093 1.00 65.02 H new ATOM 0 HG12 ILE A 406 -0.064 20.402 9.449 1.00 3.42 H new ATOM 0 HG13 ILE A 406 -0.405 20.822 7.783 1.00 3.42 H new ATOM 0 HG21 ILE A 406 2.076 18.259 8.832 1.00 60.25 H new ATOM 0 HG22 ILE A 406 3.493 19.332 8.744 1.00 60.25 H new ATOM 0 HG23 ILE A 406 2.310 19.528 10.058 1.00 60.25 H new ATOM 0 HD11 ILE A 406 -1.495 18.717 8.396 1.00 42.03 H new ATOM 0 HD12 ILE A 406 -0.267 18.438 7.139 1.00 42.03 H new ATOM 0 HD13 ILE A 406 0.080 18.011 8.832 1.00 42.03 H new ATOM 62 N GLU A 407 3.070 22.351 10.545 1.00 1.35 N ATOM 63 CA GLU A 407 3.067 22.680 11.972 1.00 41.45 C ATOM 64 C GLU A 407 2.343 24.021 12.241 1.00 71.43 C ATOM 65 O GLU A 407 1.369 24.051 12.990 1.00 1.41 O ATOM 66 CB GLU A 407 4.524 22.591 12.545 1.00 42.13 C ATOM 67 CG GLU A 407 4.730 22.896 14.035 1.00 53.15 C ATOM 68 CD GLU A 407 4.632 24.366 14.394 1.00 13.44 C ATOM 69 OE1 GLU A 407 3.623 24.786 14.992 1.00 35.53 O ATOM 70 OE2 GLU A 407 5.583 25.120 14.095 1.00 63.00 O ATOM 0 H GLU A 407 4.002 22.303 10.133 1.00 1.35 H new ATOM 0 HA GLU A 407 2.482 21.942 12.521 1.00 41.45 H new ATOM 0 HB2 GLU A 407 4.897 21.585 12.355 1.00 42.13 H new ATOM 0 HB3 GLU A 407 5.150 23.276 11.974 1.00 42.13 H new ATOM 0 HG2 GLU A 407 3.988 22.344 14.612 1.00 53.15 H new ATOM 0 HG3 GLU A 407 5.710 22.525 14.337 1.00 53.15 H new ATOM 77 N PRO A 408 2.764 25.148 11.604 1.00 31.22 N ATOM 78 CA PRO A 408 2.086 26.442 11.780 1.00 64.45 C ATOM 79 C PRO A 408 0.705 26.482 11.103 1.00 15.44 C ATOM 80 O PRO A 408 0.001 27.490 11.174 1.00 52.14 O ATOM 81 CB PRO A 408 3.030 27.423 11.092 1.00 15.41 C ATOM 82 CG PRO A 408 3.735 26.595 10.078 1.00 5.31 C ATOM 83 CD PRO A 408 3.941 25.278 10.720 1.00 61.52 C ATOM 0 HA PRO A 408 1.897 26.661 12.831 1.00 64.45 H new ATOM 0 HB2 PRO A 408 2.483 28.243 10.627 1.00 15.41 H new ATOM 0 HB3 PRO A 408 3.729 27.867 11.800 1.00 15.41 H new ATOM 0 HG2 PRO A 408 3.143 26.500 9.168 1.00 5.31 H new ATOM 0 HG3 PRO A 408 4.686 27.047 9.794 1.00 5.31 H new ATOM 0 HD2 PRO A 408 3.984 24.474 9.985 1.00 61.52 H new ATOM 0 HD3 PRO A 408 4.874 25.246 11.283 1.00 61.52 H new ATOM 91 N VAL A 409 0.334 25.385 10.456 1.00 61.14 N ATOM 92 CA VAL A 409 -0.930 25.288 9.750 1.00 63.40 C ATOM 93 C VAL A 409 -1.994 24.664 10.648 1.00 72.15 C ATOM 94 O VAL A 409 -3.130 25.130 10.696 1.00 54.20 O ATOM 95 CB VAL A 409 -0.793 24.443 8.451 1.00 52.03 C ATOM 96 CG1 VAL A 409 -2.116 24.358 7.701 1.00 13.44 C ATOM 97 CG2 VAL A 409 0.286 25.014 7.552 1.00 45.25 C ATOM 0 H VAL A 409 0.903 24.540 10.408 1.00 61.14 H new ATOM 0 HA VAL A 409 -1.229 26.300 9.476 1.00 63.40 H new ATOM 0 HB VAL A 409 -0.507 23.433 8.744 1.00 52.03 H new ATOM 0 HG11 VAL A 409 -1.985 23.761 6.799 1.00 13.44 H new ATOM 0 HG12 VAL A 409 -2.867 23.892 8.339 1.00 13.44 H new ATOM 0 HG13 VAL A 409 -2.444 25.361 7.428 1.00 13.44 H new ATOM 0 HG21 VAL A 409 0.366 24.408 6.649 1.00 45.25 H new ATOM 0 HG22 VAL A 409 0.029 26.038 7.281 1.00 45.25 H new ATOM 0 HG23 VAL A 409 1.240 25.007 8.079 1.00 45.25 H new ATOM 107 N VAL A 410 -1.619 23.627 11.381 1.00 33.31 N ATOM 108 CA VAL A 410 -2.573 22.934 12.248 1.00 74.30 C ATOM 109 C VAL A 410 -3.021 23.786 13.424 1.00 23.53 C ATOM 110 O VAL A 410 -4.071 23.525 14.010 1.00 62.30 O ATOM 111 CB VAL A 410 -2.070 21.554 12.741 1.00 22.31 C ATOM 112 CG1 VAL A 410 -1.869 20.620 11.570 1.00 43.25 C ATOM 113 CG2 VAL A 410 -0.787 21.688 13.546 1.00 21.24 C ATOM 0 H VAL A 410 -0.673 23.246 11.397 1.00 33.31 H new ATOM 0 HA VAL A 410 -3.440 22.752 11.613 1.00 74.30 H new ATOM 0 HB VAL A 410 -2.831 21.133 13.398 1.00 22.31 H new ATOM 0 HG11 VAL A 410 -1.515 19.654 11.931 1.00 43.25 H new ATOM 0 HG12 VAL A 410 -2.815 20.487 11.044 1.00 43.25 H new ATOM 0 HG13 VAL A 410 -1.132 21.044 10.888 1.00 43.25 H new ATOM 0 HG21 VAL A 410 -0.461 20.702 13.877 1.00 21.24 H new ATOM 0 HG22 VAL A 410 -0.012 22.137 12.924 1.00 21.24 H new ATOM 0 HG23 VAL A 410 -0.967 22.321 14.415 1.00 21.24 H new ATOM 123 N LEU A 411 -2.233 24.800 13.764 1.00 45.32 N ATOM 124 CA LEU A 411 -2.597 25.709 14.841 1.00 32.24 C ATOM 125 C LEU A 411 -3.858 26.514 14.539 1.00 20.13 C ATOM 126 O LEU A 411 -4.844 26.362 15.250 1.00 55.31 O ATOM 127 CB LEU A 411 -1.453 26.614 15.266 1.00 24.43 C ATOM 128 CG LEU A 411 -0.293 25.936 15.971 1.00 15.30 C ATOM 129 CD1 LEU A 411 0.758 26.949 16.305 1.00 33.05 C ATOM 130 CD2 LEU A 411 -0.764 25.241 17.238 1.00 41.42 C ATOM 0 H LEU A 411 -1.344 25.011 13.312 1.00 45.32 H new ATOM 0 HA LEU A 411 -2.825 25.065 15.691 1.00 32.24 H new ATOM 0 HB2 LEU A 411 -1.068 27.120 14.380 1.00 24.43 H new ATOM 0 HB3 LEU A 411 -1.852 27.385 15.925 1.00 24.43 H new ATOM 0 HG LEU A 411 0.127 25.184 15.303 1.00 15.30 H new ATOM 0 HD11 LEU A 411 1.589 26.458 16.811 1.00 33.05 H new ATOM 0 HD12 LEU A 411 1.117 27.417 15.388 1.00 33.05 H new ATOM 0 HD13 LEU A 411 0.334 27.711 16.959 1.00 33.05 H new ATOM 0 HD21 LEU A 411 0.084 24.762 17.727 1.00 41.42 H new ATOM 0 HD22 LEU A 411 -1.205 25.975 17.913 1.00 41.42 H new ATOM 0 HD23 LEU A 411 -1.510 24.487 16.984 1.00 41.42 H new ATOM 142 N PRO A 412 -3.886 27.377 13.475 1.00 25.32 N ATOM 143 CA PRO A 412 -5.082 28.135 13.151 1.00 24.44 C ATOM 144 C PRO A 412 -6.268 27.208 12.868 1.00 33.11 C ATOM 145 O PRO A 412 -7.400 27.519 13.212 1.00 71.41 O ATOM 146 CB PRO A 412 -4.706 28.947 11.902 1.00 23.15 C ATOM 147 CG PRO A 412 -3.483 28.292 11.370 1.00 61.13 C ATOM 148 CD PRO A 412 -2.783 27.701 12.551 1.00 34.04 C ATOM 0 HA PRO A 412 -5.395 28.773 13.977 1.00 24.44 H new ATOM 0 HB2 PRO A 412 -5.511 28.936 11.167 1.00 23.15 H new ATOM 0 HB3 PRO A 412 -4.517 29.991 12.152 1.00 23.15 H new ATOM 0 HG2 PRO A 412 -3.738 27.522 10.643 1.00 61.13 H new ATOM 0 HG3 PRO A 412 -2.845 29.013 10.860 1.00 61.13 H new ATOM 0 HD2 PRO A 412 -2.214 26.813 12.278 1.00 34.04 H new ATOM 0 HD3 PRO A 412 -2.080 28.406 12.996 1.00 34.04 H new ATOM 156 N LEU A 413 -5.981 26.044 12.267 1.00 40.54 N ATOM 157 CA LEU A 413 -6.999 25.046 11.980 1.00 25.22 C ATOM 158 C LEU A 413 -7.610 24.482 13.252 1.00 10.44 C ATOM 159 O LEU A 413 -8.788 24.143 13.282 1.00 61.53 O ATOM 160 CB LEU A 413 -6.444 23.920 11.125 1.00 5.21 C ATOM 161 CG LEU A 413 -6.006 24.306 9.717 1.00 61.31 C ATOM 162 CD1 LEU A 413 -5.524 23.086 8.990 1.00 55.01 C ATOM 163 CD2 LEU A 413 -7.149 24.961 8.949 1.00 33.54 C ATOM 0 H LEU A 413 -5.042 25.778 11.972 1.00 40.54 H new ATOM 0 HA LEU A 413 -7.786 25.552 11.421 1.00 25.22 H new ATOM 0 HB2 LEU A 413 -5.590 23.483 11.643 1.00 5.21 H new ATOM 0 HB3 LEU A 413 -7.202 23.141 11.048 1.00 5.21 H new ATOM 0 HG LEU A 413 -5.194 25.029 9.790 1.00 61.31 H new ATOM 0 HD11 LEU A 413 -5.211 23.362 7.983 1.00 55.01 H new ATOM 0 HD12 LEU A 413 -4.680 22.653 9.526 1.00 55.01 H new ATOM 0 HD13 LEU A 413 -6.330 22.355 8.931 1.00 55.01 H new ATOM 0 HD21 LEU A 413 -6.810 25.226 7.948 1.00 33.54 H new ATOM 0 HD22 LEU A 413 -7.984 24.265 8.876 1.00 33.54 H new ATOM 0 HD23 LEU A 413 -7.471 25.861 9.473 1.00 33.54 H new ATOM 175 N LEU A 414 -6.812 24.403 14.303 1.00 62.33 N ATOM 176 CA LEU A 414 -7.271 23.906 15.591 1.00 21.23 C ATOM 177 C LEU A 414 -8.297 24.874 16.174 1.00 70.35 C ATOM 178 O LEU A 414 -9.365 24.465 16.642 1.00 21.30 O ATOM 179 CB LEU A 414 -6.081 23.746 16.549 1.00 71.12 C ATOM 180 CG LEU A 414 -6.386 23.208 17.949 1.00 24.51 C ATOM 181 CD1 LEU A 414 -6.960 21.797 17.881 1.00 32.52 C ATOM 182 CD2 LEU A 414 -5.134 23.242 18.813 1.00 22.54 C ATOM 0 H LEU A 414 -5.831 24.680 14.289 1.00 62.33 H new ATOM 0 HA LEU A 414 -7.739 22.931 15.456 1.00 21.23 H new ATOM 0 HB2 LEU A 414 -5.356 23.081 16.081 1.00 71.12 H new ATOM 0 HB3 LEU A 414 -5.599 24.718 16.657 1.00 71.12 H new ATOM 0 HG LEU A 414 -7.139 23.851 18.405 1.00 24.51 H new ATOM 0 HD11 LEU A 414 -7.167 21.440 18.890 1.00 32.52 H new ATOM 0 HD12 LEU A 414 -7.884 21.808 17.303 1.00 32.52 H new ATOM 0 HD13 LEU A 414 -6.240 21.134 17.402 1.00 32.52 H new ATOM 0 HD21 LEU A 414 -5.366 22.856 19.806 1.00 22.54 H new ATOM 0 HD22 LEU A 414 -4.360 22.625 18.356 1.00 22.54 H new ATOM 0 HD23 LEU A 414 -4.778 24.269 18.897 1.00 22.54 H new ATOM 194 N TRP A 415 -7.985 26.156 16.113 1.00 23.22 N ATOM 195 CA TRP A 415 -8.893 27.178 16.611 1.00 4.12 C ATOM 196 C TRP A 415 -10.116 27.281 15.701 1.00 13.03 C ATOM 197 O TRP A 415 -11.217 27.558 16.139 1.00 43.22 O ATOM 198 CB TRP A 415 -8.189 28.530 16.706 1.00 52.53 C ATOM 199 CG TRP A 415 -6.963 28.510 17.570 1.00 14.34 C ATOM 200 CD1 TRP A 415 -5.673 28.586 17.149 1.00 25.12 C ATOM 201 CD2 TRP A 415 -6.913 28.388 18.998 1.00 72.44 C ATOM 202 NE1 TRP A 415 -4.822 28.529 18.220 1.00 74.22 N ATOM 203 CE2 TRP A 415 -5.553 28.409 19.366 1.00 34.25 C ATOM 204 CE3 TRP A 415 -7.880 28.268 20.000 1.00 74.22 C ATOM 205 CZ2 TRP A 415 -5.136 28.313 20.686 1.00 23.14 C ATOM 206 CZ3 TRP A 415 -7.463 28.173 21.315 1.00 4.35 C ATOM 207 CH2 TRP A 415 -6.101 28.199 21.643 1.00 21.03 C ATOM 0 H TRP A 415 -7.113 26.515 15.725 1.00 23.22 H new ATOM 0 HA TRP A 415 -9.218 26.892 17.611 1.00 4.12 H new ATOM 0 HB2 TRP A 415 -7.912 28.857 15.704 1.00 52.53 H new ATOM 0 HB3 TRP A 415 -8.889 29.267 17.100 1.00 52.53 H new ATOM 0 HD1 TRP A 415 -5.364 28.678 16.118 1.00 25.12 H new ATOM 0 HE1 TRP A 415 -3.804 28.570 18.169 1.00 74.22 H new ATOM 0 HE3 TRP A 415 -8.931 28.250 19.752 1.00 74.22 H new ATOM 0 HZ2 TRP A 415 -4.088 28.328 20.946 1.00 23.14 H new ATOM 0 HZ3 TRP A 415 -8.198 28.077 22.101 1.00 4.35 H new ATOM 0 HH2 TRP A 415 -5.808 28.127 22.680 1.00 21.03 H new ATOM 218 N PHE A 416 -9.897 27.011 14.441 1.00 62.12 N ATOM 219 CA PHE A 416 -10.929 27.046 13.420 1.00 22.23 C ATOM 220 C PHE A 416 -11.913 25.888 13.630 1.00 23.44 C ATOM 221 O PHE A 416 -13.119 25.992 13.328 1.00 73.42 O ATOM 222 CB PHE A 416 -10.238 26.948 12.053 1.00 65.45 C ATOM 223 CG PHE A 416 -11.126 26.930 10.860 1.00 71.21 C ATOM 224 CD1 PHE A 416 -11.504 25.733 10.293 1.00 2.23 C ATOM 225 CD2 PHE A 416 -11.567 28.108 10.294 1.00 60.14 C ATOM 226 CE1 PHE A 416 -12.305 25.706 9.187 1.00 35.41 C ATOM 227 CE2 PHE A 416 -12.376 28.088 9.182 1.00 71.12 C ATOM 228 CZ PHE A 416 -12.745 26.886 8.627 1.00 52.04 C ATOM 0 H PHE A 416 -8.978 26.754 14.081 1.00 62.12 H new ATOM 0 HA PHE A 416 -11.500 27.973 13.476 1.00 22.23 H new ATOM 0 HB2 PHE A 416 -9.553 27.790 11.956 1.00 65.45 H new ATOM 0 HB3 PHE A 416 -9.632 26.042 12.041 1.00 65.45 H new ATOM 0 HD1 PHE A 416 -11.163 24.805 10.728 1.00 2.23 H new ATOM 0 HD2 PHE A 416 -11.275 29.053 10.727 1.00 60.14 H new ATOM 0 HE1 PHE A 416 -12.593 24.761 8.752 1.00 35.41 H new ATOM 0 HE2 PHE A 416 -12.720 29.014 8.746 1.00 71.12 H new ATOM 0 HZ PHE A 416 -13.379 26.866 7.753 1.00 52.04 H new ATOM 238 N GLU A 417 -11.395 24.814 14.183 1.00 74.20 N ATOM 239 CA GLU A 417 -12.150 23.621 14.447 1.00 11.31 C ATOM 240 C GLU A 417 -13.059 23.889 15.614 1.00 64.41 C ATOM 241 O GLU A 417 -14.268 23.689 15.528 1.00 42.21 O ATOM 242 CB GLU A 417 -11.150 22.473 14.741 1.00 1.21 C ATOM 243 CG GLU A 417 -11.725 21.051 14.913 1.00 71.42 C ATOM 244 CD GLU A 417 -12.452 20.795 16.221 1.00 5.31 C ATOM 245 OE1 GLU A 417 -13.671 20.971 16.287 1.00 14.54 O ATOM 246 OE2 GLU A 417 -11.803 20.363 17.192 1.00 44.55 O ATOM 0 H GLU A 417 -10.417 24.750 14.465 1.00 74.20 H new ATOM 0 HA GLU A 417 -12.766 23.329 13.596 1.00 11.31 H new ATOM 0 HB2 GLU A 417 -10.422 22.445 13.930 1.00 1.21 H new ATOM 0 HB3 GLU A 417 -10.605 22.727 15.650 1.00 1.21 H new ATOM 0 HG2 GLU A 417 -12.412 20.854 14.090 1.00 71.42 H new ATOM 0 HG3 GLU A 417 -10.908 20.334 14.825 1.00 71.42 H new ATOM 253 N GLN A 418 -12.484 24.428 16.673 1.00 72.41 N ATOM 254 CA GLN A 418 -13.221 24.693 17.893 1.00 45.44 C ATOM 255 C GLN A 418 -14.179 25.874 17.732 1.00 30.53 C ATOM 256 O GLN A 418 -15.108 26.060 18.525 1.00 65.02 O ATOM 257 CB GLN A 418 -12.253 24.830 19.085 1.00 53.40 C ATOM 258 CG GLN A 418 -11.276 26.012 19.061 1.00 15.22 C ATOM 259 CD GLN A 418 -11.858 27.309 19.594 1.00 72.11 C ATOM 260 OE1 GLN A 418 -12.412 28.128 18.862 1.00 3.12 O ATOM 261 NE2 GLN A 418 -11.743 27.496 20.876 1.00 24.34 N ATOM 0 H GLN A 418 -11.500 24.693 16.712 1.00 72.41 H new ATOM 0 HA GLN A 418 -13.863 23.839 18.111 1.00 45.44 H new ATOM 0 HB2 GLN A 418 -12.847 24.901 19.996 1.00 53.40 H new ATOM 0 HB3 GLN A 418 -11.670 23.911 19.155 1.00 53.40 H new ATOM 0 HG2 GLN A 418 -10.395 25.753 19.649 1.00 15.22 H new ATOM 0 HG3 GLN A 418 -10.940 26.171 18.036 1.00 15.22 H new ATOM 0 HE21 GLN A 418 -11.278 26.796 21.454 1.00 24.34 H new ATOM 0 HE22 GLN A 418 -12.118 28.343 21.304 1.00 24.34 H new ATOM 270 N SER A 419 -13.954 26.647 16.690 1.00 44.15 N ATOM 271 CA SER A 419 -14.812 27.751 16.348 1.00 22.33 C ATOM 272 C SER A 419 -16.095 27.209 15.718 1.00 40.23 C ATOM 273 O SER A 419 -17.116 27.891 15.668 1.00 14.44 O ATOM 274 CB SER A 419 -14.074 28.706 15.383 1.00 21.12 C ATOM 275 OG SER A 419 -14.817 29.887 15.125 1.00 24.11 O ATOM 0 H SER A 419 -13.165 26.522 16.056 1.00 44.15 H new ATOM 0 HA SER A 419 -15.075 28.315 17.243 1.00 22.33 H new ATOM 0 HB2 SER A 419 -13.107 28.973 15.808 1.00 21.12 H new ATOM 0 HB3 SER A 419 -13.878 28.190 14.443 1.00 21.12 H new ATOM 0 HG SER A 419 -14.314 30.463 14.512 1.00 24.11 H new ATOM 281 N GLY A 420 -16.034 25.963 15.257 1.00 12.20 N ATOM 282 CA GLY A 420 -17.171 25.346 14.629 1.00 30.44 C ATOM 283 C GLY A 420 -17.474 25.976 13.296 1.00 71.15 C ATOM 284 O GLY A 420 -18.597 25.907 12.813 1.00 44.14 O ATOM 0 H GLY A 420 -15.205 25.371 15.312 1.00 12.20 H new ATOM 0 HA2 GLY A 420 -16.980 24.281 14.495 1.00 30.44 H new ATOM 0 HA3 GLY A 420 -18.040 25.434 15.280 1.00 30.44 H new ATOM 288 N ALA A 421 -16.455 26.552 12.679 1.00 11.44 N ATOM 289 CA ALA A 421 -16.605 27.258 11.416 1.00 44.34 C ATOM 290 C ALA A 421 -17.094 26.321 10.306 1.00 72.31 C ATOM 291 O ALA A 421 -17.914 26.699 9.469 1.00 61.31 O ATOM 292 CB ALA A 421 -15.308 27.936 11.058 1.00 34.42 C ATOM 0 H ALA A 421 -15.501 26.544 13.039 1.00 11.44 H new ATOM 0 HA ALA A 421 -17.371 28.026 11.527 1.00 44.34 H new ATOM 0 HB1 ALA A 421 -15.423 28.464 10.111 1.00 34.42 H new ATOM 0 HB2 ALA A 421 -15.041 28.647 11.840 1.00 34.42 H new ATOM 0 HB3 ALA A 421 -14.521 27.188 10.963 1.00 34.42 H new ATOM 535 N MET A 437 -9.555 15.402 -6.366 1.00 70.51 N ATOM 536 CA MET A 437 -8.104 15.243 -6.410 1.00 32.25 C ATOM 537 C MET A 437 -7.718 14.341 -7.580 1.00 30.25 C ATOM 538 O MET A 437 -8.445 13.402 -7.903 1.00 74.22 O ATOM 539 CB MET A 437 -7.554 14.593 -5.119 1.00 11.13 C ATOM 540 CG MET A 437 -7.677 15.362 -3.787 1.00 3.21 C ATOM 541 SD MET A 437 -6.659 16.870 -3.648 1.00 53.15 S ATOM 542 CE MET A 437 -7.572 18.071 -4.605 1.00 14.34 C ATOM 0 HA MET A 437 -7.678 16.240 -6.519 1.00 32.25 H new ATOM 0 HB2 MET A 437 -8.056 13.634 -4.993 1.00 11.13 H new ATOM 0 HB3 MET A 437 -6.497 14.381 -5.281 1.00 11.13 H new ATOM 0 HG2 MET A 437 -8.722 15.636 -3.642 1.00 3.21 H new ATOM 0 HG3 MET A 437 -7.409 14.688 -2.973 1.00 3.21 H new ATOM 0 HE1 MET A 437 -7.016 18.314 -5.510 1.00 14.34 H new ATOM 0 HE2 MET A 437 -8.544 17.658 -4.876 1.00 14.34 H new ATOM 0 HE3 MET A 437 -7.714 18.975 -4.013 1.00 14.34 H new ATOM 552 N PRO A 438 -6.580 14.618 -8.231 1.00 54.51 N ATOM 553 CA PRO A 438 -6.023 13.765 -9.300 1.00 74.14 C ATOM 554 C PRO A 438 -5.755 12.333 -8.800 1.00 42.12 C ATOM 555 O PRO A 438 -5.771 11.383 -9.564 1.00 24.05 O ATOM 556 CB PRO A 438 -4.705 14.462 -9.677 1.00 52.11 C ATOM 557 CG PRO A 438 -4.420 15.387 -8.547 1.00 50.13 C ATOM 558 CD PRO A 438 -5.750 15.816 -8.029 1.00 4.12 C ATOM 0 HA PRO A 438 -6.708 13.659 -10.141 1.00 74.14 H new ATOM 0 HB2 PRO A 438 -3.900 13.739 -9.808 1.00 52.11 H new ATOM 0 HB3 PRO A 438 -4.801 15.005 -10.617 1.00 52.11 H new ATOM 0 HG2 PRO A 438 -3.840 14.889 -7.770 1.00 50.13 H new ATOM 0 HG3 PRO A 438 -3.835 16.244 -8.881 1.00 50.13 H new ATOM 0 HD2 PRO A 438 -5.702 16.102 -6.978 1.00 4.12 H new ATOM 0 HD3 PRO A 438 -6.139 16.675 -8.576 1.00 4.12 H new ATOM 566 N GLN A 439 -5.531 12.211 -7.493 1.00 3.54 N ATOM 567 CA GLN A 439 -5.186 10.941 -6.828 1.00 42.25 C ATOM 568 C GLN A 439 -6.194 9.836 -7.142 1.00 60.42 C ATOM 569 O GLN A 439 -5.835 8.664 -7.201 1.00 71.23 O ATOM 570 CB GLN A 439 -5.169 11.150 -5.330 1.00 73.45 C ATOM 571 CG GLN A 439 -4.247 12.253 -4.873 1.00 24.11 C ATOM 572 CD GLN A 439 -4.284 12.464 -3.371 1.00 41.14 C ATOM 573 OE1 GLN A 439 -5.414 12.190 -2.758 1.00 4.25 O flip ATOM 574 NE2 GLN A 439 -3.297 12.873 -2.763 1.00 21.02 N flip ATOM 0 H GLN A 439 -5.583 13.001 -6.850 1.00 3.54 H new ATOM 0 HA GLN A 439 -4.208 10.634 -7.198 1.00 42.25 H new ATOM 0 HB2 GLN A 439 -6.181 11.374 -4.994 1.00 73.45 H new ATOM 0 HB3 GLN A 439 -4.872 10.219 -4.847 1.00 73.45 H new ATOM 0 HG2 GLN A 439 -3.227 12.018 -5.177 1.00 24.11 H new ATOM 0 HG3 GLN A 439 -4.523 13.182 -5.373 1.00 24.11 H new ATOM 0 HE21 GLN A 439 -2.435 13.076 -3.268 1.00 21.02 H new ATOM 0 HE22 GLN A 439 -3.340 13.009 -1.753 1.00 21.02 H new ATOM 583 N VAL A 440 -7.444 10.214 -7.362 1.00 44.13 N ATOM 584 CA VAL A 440 -8.499 9.235 -7.679 1.00 21.25 C ATOM 585 C VAL A 440 -8.199 8.480 -8.972 1.00 71.53 C ATOM 586 O VAL A 440 -8.578 7.312 -9.129 1.00 71.20 O ATOM 587 CB VAL A 440 -9.915 9.853 -7.740 1.00 0.54 C ATOM 588 CG1 VAL A 440 -10.298 10.448 -6.401 1.00 14.13 C ATOM 589 CG2 VAL A 440 -10.011 10.894 -8.836 1.00 45.12 C ATOM 0 H VAL A 440 -7.762 11.183 -7.330 1.00 44.13 H new ATOM 0 HA VAL A 440 -8.495 8.530 -6.848 1.00 21.25 H new ATOM 0 HB VAL A 440 -10.619 9.054 -7.975 1.00 0.54 H new ATOM 0 HG11 VAL A 440 -11.298 10.877 -6.466 1.00 14.13 H new ATOM 0 HG12 VAL A 440 -10.287 9.668 -5.640 1.00 14.13 H new ATOM 0 HG13 VAL A 440 -9.585 11.228 -6.132 1.00 14.13 H new ATOM 0 HG21 VAL A 440 -11.018 11.311 -8.855 1.00 45.12 H new ATOM 0 HG22 VAL A 440 -9.292 11.691 -8.645 1.00 45.12 H new ATOM 0 HG23 VAL A 440 -9.792 10.431 -9.798 1.00 45.12 H new ATOM 599 N LEU A 441 -7.501 9.142 -9.875 1.00 71.33 N ATOM 600 CA LEU A 441 -7.132 8.567 -11.151 1.00 23.34 C ATOM 601 C LEU A 441 -6.150 7.429 -10.910 1.00 50.34 C ATOM 602 O LEU A 441 -6.157 6.415 -11.606 1.00 41.33 O ATOM 603 CB LEU A 441 -6.504 9.651 -12.035 1.00 1.31 C ATOM 604 CG LEU A 441 -7.363 10.908 -12.264 1.00 61.40 C ATOM 605 CD1 LEU A 441 -6.585 11.973 -13.018 1.00 25.23 C ATOM 606 CD2 LEU A 441 -8.650 10.564 -13.000 1.00 62.34 C ATOM 0 H LEU A 441 -7.173 10.099 -9.742 1.00 71.33 H new ATOM 0 HA LEU A 441 -8.012 8.175 -11.661 1.00 23.34 H new ATOM 0 HB2 LEU A 441 -5.559 9.956 -11.587 1.00 1.31 H new ATOM 0 HB3 LEU A 441 -6.270 9.212 -13.005 1.00 1.31 H new ATOM 0 HG LEU A 441 -7.627 11.310 -11.286 1.00 61.40 H new ATOM 0 HD11 LEU A 441 -7.217 12.849 -13.165 1.00 25.23 H new ATOM 0 HD12 LEU A 441 -5.703 12.254 -12.443 1.00 25.23 H new ATOM 0 HD13 LEU A 441 -6.277 11.581 -13.987 1.00 25.23 H new ATOM 0 HD21 LEU A 441 -9.238 11.470 -13.148 1.00 62.34 H new ATOM 0 HD22 LEU A 441 -8.409 10.125 -13.968 1.00 62.34 H new ATOM 0 HD23 LEU A 441 -9.226 9.850 -12.411 1.00 62.34 H new ATOM 618 N HIS A 442 -5.308 7.604 -9.898 1.00 61.23 N ATOM 619 CA HIS A 442 -4.377 6.566 -9.495 1.00 12.53 C ATOM 620 C HIS A 442 -5.093 5.474 -8.722 1.00 24.50 C ATOM 621 O HIS A 442 -4.758 4.313 -8.850 1.00 35.34 O ATOM 622 CB HIS A 442 -3.197 7.107 -8.679 1.00 43.54 C ATOM 623 CG HIS A 442 -2.282 8.031 -9.423 1.00 12.33 C ATOM 624 ND1 HIS A 442 -1.730 9.154 -8.857 1.00 33.32 N ATOM 625 CD2 HIS A 442 -1.773 7.962 -10.678 1.00 53.11 C ATOM 626 CE1 HIS A 442 -0.924 9.730 -9.725 1.00 21.31 C ATOM 627 NE2 HIS A 442 -0.936 9.027 -10.831 1.00 1.42 N ATOM 0 H HIS A 442 -5.254 8.458 -9.343 1.00 61.23 H new ATOM 0 HA HIS A 442 -3.964 6.147 -10.413 1.00 12.53 H new ATOM 0 HB2 HIS A 442 -3.588 7.632 -7.807 1.00 43.54 H new ATOM 0 HB3 HIS A 442 -2.614 6.264 -8.309 1.00 43.54 H new ATOM 0 HD2 HIS A 442 -1.990 7.205 -11.417 1.00 53.11 H new ATOM 0 HE1 HIS A 442 -0.351 10.629 -9.554 1.00 21.31 H new ATOM 0 HE2 HIS A 442 -0.403 9.243 -11.673 1.00 1.42 H new ATOM 636 N TYR A 443 -6.101 5.851 -7.925 1.00 73.42 N ATOM 637 CA TYR A 443 -6.875 4.876 -7.129 1.00 44.30 C ATOM 638 C TYR A 443 -7.576 3.888 -8.031 1.00 13.15 C ATOM 639 O TYR A 443 -7.789 2.742 -7.667 1.00 24.11 O ATOM 640 CB TYR A 443 -7.892 5.559 -6.200 1.00 21.23 C ATOM 641 CG TYR A 443 -7.280 6.490 -5.167 1.00 70.22 C ATOM 642 CD1 TYR A 443 -6.016 6.246 -4.632 1.00 43.22 C ATOM 643 CD2 TYR A 443 -7.969 7.610 -4.725 1.00 71.04 C ATOM 644 CE1 TYR A 443 -5.464 7.096 -3.699 1.00 62.10 C ATOM 645 CE2 TYR A 443 -7.421 8.462 -3.789 1.00 40.14 C ATOM 646 CZ TYR A 443 -6.171 8.201 -3.282 1.00 30.13 C ATOM 647 OH TYR A 443 -5.618 9.054 -2.361 1.00 33.21 O ATOM 0 H TYR A 443 -6.403 6.819 -7.811 1.00 73.42 H new ATOM 0 HA TYR A 443 -6.162 4.343 -6.499 1.00 44.30 H new ATOM 0 HB2 TYR A 443 -8.597 6.126 -6.809 1.00 21.23 H new ATOM 0 HB3 TYR A 443 -8.465 4.790 -5.682 1.00 21.23 H new ATOM 0 HD1 TYR A 443 -5.461 5.377 -4.954 1.00 43.22 H new ATOM 0 HD2 TYR A 443 -8.952 7.818 -5.121 1.00 71.04 H new ATOM 0 HE1 TYR A 443 -4.482 6.896 -3.297 1.00 62.10 H new ATOM 0 HE2 TYR A 443 -7.971 9.330 -3.456 1.00 40.14 H new ATOM 0 HH TYR A 443 -5.649 9.971 -2.705 1.00 33.21 H new ATOM 657 N ALA A 444 -7.896 4.344 -9.220 1.00 42.31 N ATOM 658 CA ALA A 444 -8.525 3.522 -10.232 1.00 31.31 C ATOM 659 C ALA A 444 -7.578 2.407 -10.665 1.00 50.53 C ATOM 660 O ALA A 444 -7.998 1.294 -10.961 1.00 73.24 O ATOM 661 CB ALA A 444 -8.948 4.370 -11.415 1.00 34.33 C ATOM 0 H ALA A 444 -7.726 5.305 -9.516 1.00 42.31 H new ATOM 0 HA ALA A 444 -9.420 3.065 -9.811 1.00 31.31 H new ATOM 0 HB1 ALA A 444 -9.419 3.737 -12.167 1.00 34.33 H new ATOM 0 HB2 ALA A 444 -9.657 5.129 -11.084 1.00 34.33 H new ATOM 0 HB3 ALA A 444 -8.072 4.855 -11.846 1.00 34.33 H new ATOM 667 N GLN A 445 -6.297 2.717 -10.664 1.00 44.03 N ATOM 668 CA GLN A 445 -5.266 1.756 -11.004 1.00 15.13 C ATOM 669 C GLN A 445 -5.156 0.743 -9.871 1.00 63.45 C ATOM 670 O GLN A 445 -5.059 -0.454 -10.096 1.00 63.22 O ATOM 671 CB GLN A 445 -3.926 2.477 -11.167 1.00 10.13 C ATOM 672 CG GLN A 445 -3.940 3.590 -12.200 1.00 42.25 C ATOM 673 CD GLN A 445 -2.653 4.390 -12.215 1.00 63.11 C ATOM 674 OE1 GLN A 445 -1.979 4.534 -11.188 1.00 33.44 O ATOM 675 NE2 GLN A 445 -2.308 4.921 -13.354 1.00 34.31 N ATOM 0 H GLN A 445 -5.941 3.643 -10.427 1.00 44.03 H new ATOM 0 HA GLN A 445 -5.520 1.254 -11.937 1.00 15.13 H new ATOM 0 HB2 GLN A 445 -3.631 2.894 -10.204 1.00 10.13 H new ATOM 0 HB3 GLN A 445 -3.165 1.748 -11.445 1.00 10.13 H new ATOM 0 HG2 GLN A 445 -4.108 3.161 -13.188 1.00 42.25 H new ATOM 0 HG3 GLN A 445 -4.776 4.259 -11.996 1.00 42.25 H new ATOM 0 HE21 GLN A 445 -2.890 4.780 -14.180 1.00 34.31 H new ATOM 0 HE22 GLN A 445 -1.456 5.478 -13.420 1.00 34.31 H new ATOM 684 N TYR A 446 -5.221 1.242 -8.648 1.00 11.13 N ATOM 685 CA TYR A 446 -5.083 0.412 -7.465 1.00 34.42 C ATOM 686 C TYR A 446 -6.263 -0.526 -7.286 1.00 61.41 C ATOM 687 O TYR A 446 -6.092 -1.694 -6.909 1.00 71.03 O ATOM 688 CB TYR A 446 -4.870 1.263 -6.210 1.00 23.10 C ATOM 689 CG TYR A 446 -3.529 1.970 -6.158 1.00 3.52 C ATOM 690 CD1 TYR A 446 -2.370 1.272 -5.847 1.00 12.12 C ATOM 691 CD2 TYR A 446 -3.424 3.326 -6.404 1.00 15.35 C ATOM 692 CE1 TYR A 446 -1.149 1.914 -5.789 1.00 74.23 C ATOM 693 CE2 TYR A 446 -2.214 3.974 -6.350 1.00 60.24 C ATOM 694 CZ TYR A 446 -1.080 3.269 -6.042 1.00 15.02 C ATOM 695 OH TYR A 446 0.134 3.919 -5.988 1.00 23.43 O ATOM 0 H TYR A 446 -5.370 2.231 -8.448 1.00 11.13 H new ATOM 0 HA TYR A 446 -4.196 -0.204 -7.613 1.00 34.42 H new ATOM 0 HB2 TYR A 446 -5.663 2.008 -6.151 1.00 23.10 H new ATOM 0 HB3 TYR A 446 -4.966 0.625 -5.331 1.00 23.10 H new ATOM 0 HD1 TYR A 446 -2.424 0.212 -5.648 1.00 12.12 H new ATOM 0 HD2 TYR A 446 -4.314 3.889 -6.644 1.00 15.35 H new ATOM 0 HE1 TYR A 446 -0.254 1.360 -5.547 1.00 74.23 H new ATOM 0 HE2 TYR A 446 -2.157 5.034 -6.549 1.00 60.24 H new ATOM 0 HH TYR A 446 0.006 4.869 -6.193 1.00 23.43 H new ATOM 705 N VAL A 447 -7.455 -0.031 -7.560 1.00 65.14 N ATOM 706 CA VAL A 447 -8.643 -0.846 -7.443 1.00 63.23 C ATOM 707 C VAL A 447 -8.668 -1.896 -8.558 1.00 0.22 C ATOM 708 O VAL A 447 -9.176 -2.992 -8.367 1.00 4.42 O ATOM 709 CB VAL A 447 -9.960 0.002 -7.423 1.00 2.44 C ATOM 710 CG1 VAL A 447 -10.241 0.673 -8.757 1.00 64.42 C ATOM 711 CG2 VAL A 447 -11.154 -0.818 -6.949 1.00 73.41 C ATOM 0 H VAL A 447 -7.623 0.928 -7.864 1.00 65.14 H new ATOM 0 HA VAL A 447 -8.600 -1.354 -6.480 1.00 63.23 H new ATOM 0 HB VAL A 447 -9.800 0.800 -6.698 1.00 2.44 H new ATOM 0 HG11 VAL A 447 -11.165 1.248 -8.688 1.00 64.42 H new ATOM 0 HG12 VAL A 447 -9.417 1.340 -9.010 1.00 64.42 H new ATOM 0 HG13 VAL A 447 -10.343 -0.087 -9.532 1.00 64.42 H new ATOM 0 HG21 VAL A 447 -12.047 -0.194 -6.950 1.00 73.41 H new ATOM 0 HG22 VAL A 447 -11.303 -1.665 -7.619 1.00 73.41 H new ATOM 0 HG23 VAL A 447 -10.967 -1.183 -5.939 1.00 73.41 H new ATOM 721 N LEU A 448 -8.083 -1.549 -9.711 1.00 24.41 N ATOM 722 CA LEU A 448 -7.977 -2.451 -10.834 1.00 1.43 C ATOM 723 C LEU A 448 -7.116 -3.672 -10.475 1.00 52.41 C ATOM 724 O LEU A 448 -7.524 -4.810 -10.695 1.00 52.12 O ATOM 725 CB LEU A 448 -7.384 -1.709 -12.028 1.00 75.05 C ATOM 726 CG LEU A 448 -7.123 -2.542 -13.268 1.00 44.23 C ATOM 727 CD1 LEU A 448 -8.418 -3.121 -13.836 1.00 30.54 C ATOM 728 CD2 LEU A 448 -6.372 -1.737 -14.314 1.00 43.12 C ATOM 0 H LEU A 448 -7.673 -0.630 -9.879 1.00 24.41 H new ATOM 0 HA LEU A 448 -8.973 -2.811 -11.094 1.00 1.43 H new ATOM 0 HB2 LEU A 448 -8.059 -0.896 -12.296 1.00 75.05 H new ATOM 0 HB3 LEU A 448 -6.444 -1.253 -11.717 1.00 75.05 H new ATOM 0 HG LEU A 448 -6.493 -3.382 -12.977 1.00 44.23 H new ATOM 0 HD11 LEU A 448 -8.194 -3.712 -14.724 1.00 30.54 H new ATOM 0 HD12 LEU A 448 -8.892 -3.756 -13.087 1.00 30.54 H new ATOM 0 HD13 LEU A 448 -9.094 -2.308 -14.103 1.00 30.54 H new ATOM 0 HD21 LEU A 448 -6.197 -2.357 -15.193 1.00 43.12 H new ATOM 0 HD22 LEU A 448 -6.963 -0.866 -14.596 1.00 43.12 H new ATOM 0 HD23 LEU A 448 -5.416 -1.410 -13.904 1.00 43.12 H new ATOM 740 N LEU A 449 -5.938 -3.429 -9.906 1.00 45.23 N ATOM 741 CA LEU A 449 -5.052 -4.524 -9.467 1.00 31.22 C ATOM 742 C LEU A 449 -5.714 -5.366 -8.380 1.00 22.32 C ATOM 743 O LEU A 449 -5.556 -6.595 -8.338 1.00 43.21 O ATOM 744 CB LEU A 449 -3.670 -4.012 -8.998 1.00 32.32 C ATOM 745 CG LEU A 449 -2.617 -3.658 -10.083 1.00 13.42 C ATOM 746 CD1 LEU A 449 -3.106 -2.599 -11.050 1.00 52.14 C ATOM 747 CD2 LEU A 449 -1.317 -3.214 -9.428 1.00 75.40 C ATOM 0 H LEU A 449 -5.569 -2.493 -9.735 1.00 45.23 H new ATOM 0 HA LEU A 449 -4.881 -5.157 -10.338 1.00 31.22 H new ATOM 0 HB2 LEU A 449 -3.833 -3.123 -8.388 1.00 32.32 H new ATOM 0 HB3 LEU A 449 -3.236 -4.771 -8.347 1.00 32.32 H new ATOM 0 HG LEU A 449 -2.443 -4.563 -10.665 1.00 13.42 H new ATOM 0 HD11 LEU A 449 -2.329 -2.392 -11.786 1.00 52.14 H new ATOM 0 HD12 LEU A 449 -4.001 -2.956 -11.559 1.00 52.14 H new ATOM 0 HD13 LEU A 449 -3.340 -1.686 -10.502 1.00 52.14 H new ATOM 0 HD21 LEU A 449 -0.587 -2.969 -10.199 1.00 75.40 H new ATOM 0 HD22 LEU A 449 -1.502 -2.335 -8.811 1.00 75.40 H new ATOM 0 HD23 LEU A 449 -0.930 -4.020 -8.805 1.00 75.40 H new ATOM 759 N GLY A 450 -6.466 -4.706 -7.518 1.00 73.03 N ATOM 760 CA GLY A 450 -7.188 -5.403 -6.477 1.00 1.30 C ATOM 761 C GLY A 450 -8.313 -6.244 -7.044 1.00 40.42 C ATOM 762 O GLY A 450 -8.566 -7.361 -6.584 1.00 11.12 O ATOM 0 H GLY A 450 -6.590 -3.694 -7.520 1.00 73.03 H new ATOM 0 HA2 GLY A 450 -6.501 -6.041 -5.922 1.00 1.30 H new ATOM 0 HA3 GLY A 450 -7.594 -4.680 -5.769 1.00 1.30 H new ATOM 766 N LEU A 451 -8.983 -5.703 -8.046 1.00 44.11 N ATOM 767 CA LEU A 451 -10.072 -6.384 -8.716 1.00 63.12 C ATOM 768 C LEU A 451 -9.536 -7.598 -9.447 1.00 21.13 C ATOM 769 O LEU A 451 -10.138 -8.665 -9.426 1.00 72.33 O ATOM 770 CB LEU A 451 -10.765 -5.427 -9.696 1.00 52.13 C ATOM 771 CG LEU A 451 -11.976 -5.968 -10.458 1.00 72.34 C ATOM 772 CD1 LEU A 451 -13.091 -6.359 -9.497 1.00 5.41 C ATOM 773 CD2 LEU A 451 -12.469 -4.937 -11.464 1.00 72.33 C ATOM 0 H LEU A 451 -8.784 -4.774 -8.418 1.00 44.11 H new ATOM 0 HA LEU A 451 -10.805 -6.711 -7.978 1.00 63.12 H new ATOM 0 HB2 LEU A 451 -11.081 -4.544 -9.140 1.00 52.13 H new ATOM 0 HB3 LEU A 451 -10.026 -5.096 -10.426 1.00 52.13 H new ATOM 0 HG LEU A 451 -11.670 -6.863 -11.000 1.00 72.34 H new ATOM 0 HD11 LEU A 451 -13.941 -6.741 -10.062 1.00 5.41 H new ATOM 0 HD12 LEU A 451 -12.731 -7.131 -8.817 1.00 5.41 H new ATOM 0 HD13 LEU A 451 -13.400 -5.485 -8.923 1.00 5.41 H new ATOM 0 HD21 LEU A 451 -13.331 -5.335 -12.000 1.00 72.33 H new ATOM 0 HD22 LEU A 451 -12.756 -4.026 -10.940 1.00 72.33 H new ATOM 0 HD23 LEU A 451 -11.673 -4.712 -12.174 1.00 72.33 H new ATOM 785 N GLY A 452 -8.374 -7.429 -10.061 1.00 20.41 N ATOM 786 CA GLY A 452 -7.730 -8.522 -10.758 1.00 11.31 C ATOM 787 C GLY A 452 -7.377 -9.639 -9.807 1.00 25.20 C ATOM 788 O GLY A 452 -7.455 -10.825 -10.157 1.00 52.33 O ATOM 0 H GLY A 452 -7.863 -6.547 -10.088 1.00 20.41 H new ATOM 0 HA2 GLY A 452 -8.391 -8.900 -11.538 1.00 11.31 H new ATOM 0 HA3 GLY A 452 -6.828 -8.161 -11.252 1.00 11.31 H new ATOM 792 N GLY A 453 -6.988 -9.262 -8.608 1.00 71.42 N ATOM 793 CA GLY A 453 -6.689 -10.228 -7.591 1.00 71.15 C ATOM 794 C GLY A 453 -7.937 -10.935 -7.122 1.00 12.43 C ATOM 795 O GLY A 453 -7.935 -12.148 -6.942 1.00 22.25 O ATOM 0 H GLY A 453 -6.873 -8.290 -8.320 1.00 71.42 H new ATOM 0 HA2 GLY A 453 -5.978 -10.958 -7.978 1.00 71.15 H new ATOM 0 HA3 GLY A 453 -6.210 -9.733 -6.746 1.00 71.15 H new ATOM 799 N LEU A 454 -9.012 -10.177 -6.963 1.00 32.24 N ATOM 800 CA LEU A 454 -10.295 -10.707 -6.514 1.00 13.35 C ATOM 801 C LEU A 454 -10.743 -11.871 -7.389 1.00 22.34 C ATOM 802 O LEU A 454 -11.004 -12.958 -6.884 1.00 52.31 O ATOM 803 CB LEU A 454 -11.362 -9.599 -6.510 1.00 74.14 C ATOM 804 CG LEU A 454 -12.777 -10.007 -6.073 1.00 72.22 C ATOM 805 CD1 LEU A 454 -12.781 -10.523 -4.642 1.00 65.44 C ATOM 806 CD2 LEU A 454 -13.738 -8.839 -6.223 1.00 5.23 C ATOM 0 H LEU A 454 -9.021 -9.173 -7.142 1.00 32.24 H new ATOM 0 HA LEU A 454 -10.170 -11.077 -5.496 1.00 13.35 H new ATOM 0 HB2 LEU A 454 -11.020 -8.799 -5.853 1.00 74.14 H new ATOM 0 HB3 LEU A 454 -11.423 -9.182 -7.515 1.00 74.14 H new ATOM 0 HG LEU A 454 -13.110 -10.816 -6.722 1.00 72.22 H new ATOM 0 HD11 LEU A 454 -13.795 -10.804 -4.360 1.00 65.44 H new ATOM 0 HD12 LEU A 454 -12.129 -11.393 -4.567 1.00 65.44 H new ATOM 0 HD13 LEU A 454 -12.421 -9.742 -3.972 1.00 65.44 H new ATOM 0 HD21 LEU A 454 -14.736 -9.146 -5.909 1.00 5.23 H new ATOM 0 HD22 LEU A 454 -13.401 -8.009 -5.602 1.00 5.23 H new ATOM 0 HD23 LEU A 454 -13.767 -8.523 -7.266 1.00 5.23 H new ATOM 818 N LEU A 455 -10.771 -11.654 -8.697 1.00 50.04 N ATOM 819 CA LEU A 455 -11.190 -12.696 -9.642 1.00 43.44 C ATOM 820 C LEU A 455 -10.269 -13.913 -9.629 1.00 42.52 C ATOM 821 O LEU A 455 -10.707 -15.022 -9.915 1.00 40.23 O ATOM 822 CB LEU A 455 -11.393 -12.166 -11.085 1.00 10.02 C ATOM 823 CG LEU A 455 -12.656 -11.309 -11.370 1.00 43.45 C ATOM 824 CD1 LEU A 455 -13.926 -12.088 -11.079 1.00 45.22 C ATOM 825 CD2 LEU A 455 -12.652 -10.000 -10.605 1.00 42.24 C ATOM 0 H LEU A 455 -10.510 -10.770 -9.133 1.00 50.04 H new ATOM 0 HA LEU A 455 -12.166 -13.023 -9.284 1.00 43.44 H new ATOM 0 HB2 LEU A 455 -10.518 -11.572 -11.350 1.00 10.02 H new ATOM 0 HB3 LEU A 455 -11.411 -13.024 -11.757 1.00 10.02 H new ATOM 0 HG LEU A 455 -12.631 -11.065 -12.432 1.00 43.45 H new ATOM 0 HD11 LEU A 455 -14.793 -11.461 -11.288 1.00 45.22 H new ATOM 0 HD12 LEU A 455 -13.960 -12.977 -11.709 1.00 45.22 H new ATOM 0 HD13 LEU A 455 -13.938 -12.386 -10.031 1.00 45.22 H new ATOM 0 HD21 LEU A 455 -13.556 -9.439 -10.840 1.00 42.24 H new ATOM 0 HD22 LEU A 455 -12.619 -10.204 -9.535 1.00 42.24 H new ATOM 0 HD23 LEU A 455 -11.778 -9.415 -10.890 1.00 42.24 H new ATOM 837 N LEU A 456 -9.011 -13.709 -9.295 1.00 15.33 N ATOM 838 CA LEU A 456 -8.051 -14.803 -9.240 1.00 15.11 C ATOM 839 C LEU A 456 -8.321 -15.657 -7.986 1.00 41.52 C ATOM 840 O LEU A 456 -8.299 -16.892 -8.045 1.00 64.42 O ATOM 841 CB LEU A 456 -6.594 -14.231 -9.268 1.00 34.54 C ATOM 842 CG LEU A 456 -5.391 -15.219 -9.413 1.00 70.43 C ATOM 843 CD1 LEU A 456 -4.116 -14.435 -9.640 1.00 22.13 C ATOM 844 CD2 LEU A 456 -5.204 -16.103 -8.184 1.00 22.20 C ATOM 0 H LEU A 456 -8.625 -12.796 -9.056 1.00 15.33 H new ATOM 0 HA LEU A 456 -8.162 -15.449 -10.111 1.00 15.11 H new ATOM 0 HB2 LEU A 456 -6.536 -13.520 -10.092 1.00 34.54 H new ATOM 0 HB3 LEU A 456 -6.445 -13.665 -8.348 1.00 34.54 H new ATOM 0 HG LEU A 456 -5.613 -15.866 -10.262 1.00 70.43 H new ATOM 0 HD11 LEU A 456 -3.278 -15.125 -9.741 1.00 22.13 H new ATOM 0 HD12 LEU A 456 -4.210 -13.843 -10.550 1.00 22.13 H new ATOM 0 HD13 LEU A 456 -3.941 -13.772 -8.793 1.00 22.13 H new ATOM 0 HD21 LEU A 456 -4.355 -16.769 -8.340 1.00 22.20 H new ATOM 0 HD22 LEU A 456 -5.019 -15.478 -7.311 1.00 22.20 H new ATOM 0 HD23 LEU A 456 -6.104 -16.695 -8.021 1.00 22.20 H new ATOM 856 N LEU A 457 -8.595 -14.997 -6.870 1.00 70.20 N ATOM 857 CA LEU A 457 -8.854 -15.689 -5.607 1.00 61.00 C ATOM 858 C LEU A 457 -10.208 -16.390 -5.557 1.00 61.44 C ATOM 859 O LEU A 457 -10.327 -17.412 -4.898 1.00 5.35 O ATOM 860 CB LEU A 457 -8.661 -14.787 -4.363 1.00 52.04 C ATOM 861 CG LEU A 457 -7.211 -14.516 -3.886 1.00 54.13 C ATOM 862 CD1 LEU A 457 -6.367 -13.827 -4.930 1.00 75.34 C ATOM 863 CD2 LEU A 457 -7.217 -13.718 -2.593 1.00 5.31 C ATOM 0 H LEU A 457 -8.645 -13.980 -6.809 1.00 70.20 H new ATOM 0 HA LEU A 457 -8.090 -16.466 -5.572 1.00 61.00 H new ATOM 0 HB2 LEU A 457 -9.131 -13.826 -4.570 1.00 52.04 H new ATOM 0 HB3 LEU A 457 -9.208 -15.237 -3.534 1.00 52.04 H new ATOM 0 HG LEU A 457 -6.753 -15.489 -3.707 1.00 54.13 H new ATOM 0 HD11 LEU A 457 -5.363 -13.665 -4.537 1.00 75.34 H new ATOM 0 HD12 LEU A 457 -6.311 -14.451 -5.822 1.00 75.34 H new ATOM 0 HD13 LEU A 457 -6.816 -12.867 -5.186 1.00 75.34 H new ATOM 0 HD21 LEU A 457 -6.191 -13.537 -2.273 1.00 5.31 H new ATOM 0 HD22 LEU A 457 -7.720 -12.765 -2.756 1.00 5.31 H new ATOM 0 HD23 LEU A 457 -7.744 -14.279 -1.822 1.00 5.31 H new ATOM 875 N VAL A 458 -11.217 -15.858 -6.260 1.00 62.14 N ATOM 876 CA VAL A 458 -12.582 -16.443 -6.242 1.00 61.24 C ATOM 877 C VAL A 458 -12.611 -17.996 -6.438 1.00 33.00 C ATOM 878 O VAL A 458 -13.170 -18.703 -5.588 1.00 2.32 O ATOM 879 CB VAL A 458 -13.575 -15.738 -7.228 1.00 3.22 C ATOM 880 CG1 VAL A 458 -14.929 -16.419 -7.203 1.00 73.53 C ATOM 881 CG2 VAL A 458 -13.745 -14.276 -6.865 1.00 63.55 C ATOM 0 H VAL A 458 -11.124 -15.029 -6.847 1.00 62.14 H new ATOM 0 HA VAL A 458 -12.935 -16.247 -5.229 1.00 61.24 H new ATOM 0 HB VAL A 458 -13.154 -15.812 -8.231 1.00 3.22 H new ATOM 0 HG11 VAL A 458 -15.603 -15.914 -7.895 1.00 73.53 H new ATOM 0 HG12 VAL A 458 -14.818 -17.461 -7.501 1.00 73.53 H new ATOM 0 HG13 VAL A 458 -15.341 -16.372 -6.195 1.00 73.53 H new ATOM 0 HG21 VAL A 458 -14.438 -13.806 -7.563 1.00 63.55 H new ATOM 0 HG22 VAL A 458 -14.139 -14.196 -5.852 1.00 63.55 H new ATOM 0 HG23 VAL A 458 -12.780 -13.773 -6.919 1.00 63.55 H new ATOM 891 N PRO A 459 -12.005 -18.563 -7.531 1.00 5.14 N ATOM 892 CA PRO A 459 -11.986 -20.019 -7.743 1.00 70.43 C ATOM 893 C PRO A 459 -11.279 -20.749 -6.602 1.00 13.44 C ATOM 894 O PRO A 459 -11.681 -21.848 -6.213 1.00 54.12 O ATOM 895 CB PRO A 459 -11.200 -20.192 -9.047 1.00 4.44 C ATOM 896 CG PRO A 459 -11.313 -18.881 -9.728 1.00 32.22 C ATOM 897 CD PRO A 459 -11.322 -17.860 -8.635 1.00 70.02 C ATOM 0 HA PRO A 459 -12.992 -20.436 -7.785 1.00 70.43 H new ATOM 0 HB2 PRO A 459 -10.159 -20.449 -8.851 1.00 4.44 H new ATOM 0 HB3 PRO A 459 -11.616 -20.993 -9.658 1.00 4.44 H new ATOM 0 HG2 PRO A 459 -10.477 -18.719 -10.409 1.00 32.22 H new ATOM 0 HG3 PRO A 459 -12.224 -18.826 -10.324 1.00 32.22 H new ATOM 0 HD2 PRO A 459 -10.312 -17.557 -8.357 1.00 70.02 H new ATOM 0 HD3 PRO A 459 -11.856 -16.957 -8.930 1.00 70.02 H new ATOM 905 N ILE A 460 -10.253 -20.112 -6.048 1.00 21.55 N ATOM 906 CA ILE A 460 -9.470 -20.691 -4.964 1.00 71.34 C ATOM 907 C ILE A 460 -10.314 -20.736 -3.691 1.00 33.14 C ATOM 908 O ILE A 460 -10.346 -21.741 -2.992 1.00 41.11 O ATOM 909 CB ILE A 460 -8.169 -19.882 -4.696 1.00 42.41 C ATOM 910 CG1 ILE A 460 -7.308 -19.775 -5.975 1.00 73.43 C ATOM 911 CG2 ILE A 460 -7.366 -20.517 -3.558 1.00 40.24 C ATOM 912 CD1 ILE A 460 -6.848 -21.107 -6.543 1.00 10.12 C ATOM 0 H ILE A 460 -9.942 -19.184 -6.336 1.00 21.55 H new ATOM 0 HA ILE A 460 -9.182 -21.700 -5.261 1.00 71.34 H new ATOM 0 HB ILE A 460 -8.455 -18.873 -4.397 1.00 42.41 H new ATOM 0 HG12 ILE A 460 -7.880 -19.248 -6.739 1.00 73.43 H new ATOM 0 HG13 ILE A 460 -6.431 -19.166 -5.756 1.00 73.43 H new ATOM 0 HG21 ILE A 460 -6.459 -19.937 -3.385 1.00 40.24 H new ATOM 0 HG22 ILE A 460 -7.968 -20.528 -2.650 1.00 40.24 H new ATOM 0 HG23 ILE A 460 -7.098 -21.538 -3.828 1.00 40.24 H new ATOM 0 HD11 ILE A 460 -6.251 -20.934 -7.438 1.00 10.12 H new ATOM 0 HD12 ILE A 460 -6.246 -21.631 -5.801 1.00 10.12 H new ATOM 0 HD13 ILE A 460 -7.717 -21.713 -6.798 1.00 10.12 H new ATOM 924 N ILE A 461 -11.020 -19.652 -3.422 1.00 43.35 N ATOM 925 CA ILE A 461 -11.892 -19.558 -2.258 1.00 34.14 C ATOM 926 C ILE A 461 -13.061 -20.551 -2.399 1.00 71.10 C ATOM 927 O ILE A 461 -13.568 -21.091 -1.418 1.00 52.21 O ATOM 928 CB ILE A 461 -12.431 -18.103 -2.072 1.00 4.15 C ATOM 929 CG1 ILE A 461 -11.254 -17.127 -1.913 1.00 43.41 C ATOM 930 CG2 ILE A 461 -13.352 -18.017 -0.851 1.00 32.13 C ATOM 931 CD1 ILE A 461 -11.660 -15.672 -1.785 1.00 63.12 C ATOM 0 H ILE A 461 -11.007 -18.812 -4.001 1.00 43.35 H new ATOM 0 HA ILE A 461 -11.311 -19.813 -1.372 1.00 34.14 H new ATOM 0 HB ILE A 461 -13.007 -17.831 -2.956 1.00 4.15 H new ATOM 0 HG12 ILE A 461 -10.680 -17.410 -1.031 1.00 43.41 H new ATOM 0 HG13 ILE A 461 -10.592 -17.233 -2.772 1.00 43.41 H new ATOM 0 HG21 ILE A 461 -13.716 -16.995 -0.741 1.00 32.13 H new ATOM 0 HG22 ILE A 461 -14.198 -18.691 -0.985 1.00 32.13 H new ATOM 0 HG23 ILE A 461 -12.798 -18.304 0.043 1.00 32.13 H new ATOM 0 HD11 ILE A 461 -10.769 -15.054 -1.677 1.00 63.12 H new ATOM 0 HD12 ILE A 461 -12.207 -15.367 -2.677 1.00 63.12 H new ATOM 0 HD13 ILE A 461 -12.296 -15.548 -0.909 1.00 63.12 H new ATOM 943 N CYS A 462 -13.428 -20.835 -3.630 1.00 31.34 N ATOM 944 CA CYS A 462 -14.513 -21.745 -3.913 1.00 4.23 C ATOM 945 C CYS A 462 -14.084 -23.188 -3.629 1.00 31.02 C ATOM 946 O CYS A 462 -14.919 -24.077 -3.456 1.00 3.41 O ATOM 947 CB CYS A 462 -14.984 -21.588 -5.365 1.00 70.32 C ATOM 948 SG CYS A 462 -16.396 -22.620 -5.799 1.00 10.12 S ATOM 0 H CYS A 462 -12.983 -20.442 -4.460 1.00 31.34 H new ATOM 0 HA CYS A 462 -15.351 -21.503 -3.260 1.00 4.23 H new ATOM 0 HB2 CYS A 462 -15.244 -20.544 -5.540 1.00 70.32 H new ATOM 0 HB3 CYS A 462 -14.155 -21.826 -6.032 1.00 70.32 H new ATOM 0 HG CYS A 462 -16.428 -23.661 -5.021 1.00 10.12 H new ATOM 954 N GLN A 463 -12.775 -23.401 -3.540 1.00 14.13 N ATOM 955 CA GLN A 463 -12.228 -24.711 -3.272 1.00 4.33 C ATOM 956 C GLN A 463 -12.434 -25.070 -1.810 1.00 32.12 C ATOM 957 O GLN A 463 -12.437 -26.237 -1.437 1.00 60.11 O ATOM 958 CB GLN A 463 -10.740 -24.757 -3.621 1.00 52.31 C ATOM 959 CG GLN A 463 -10.418 -24.490 -5.086 1.00 54.55 C ATOM 960 CD GLN A 463 -11.083 -25.466 -6.031 1.00 14.41 C ATOM 961 OE1 GLN A 463 -10.527 -26.512 -6.349 1.00 52.41 O ATOM 962 NE2 GLN A 463 -12.250 -25.123 -6.513 1.00 34.34 N ATOM 0 H GLN A 463 -12.073 -22.669 -3.652 1.00 14.13 H new ATOM 0 HA GLN A 463 -12.749 -25.438 -3.895 1.00 4.33 H new ATOM 0 HB2 GLN A 463 -10.215 -24.024 -3.009 1.00 52.31 H new ATOM 0 HB3 GLN A 463 -10.348 -25.737 -3.350 1.00 52.31 H new ATOM 0 HG2 GLN A 463 -10.731 -23.477 -5.341 1.00 54.55 H new ATOM 0 HG3 GLN A 463 -9.338 -24.536 -5.228 1.00 54.55 H new ATOM 0 HE21 GLN A 463 -12.682 -24.245 -6.226 1.00 34.34 H new ATOM 0 HE22 GLN A 463 -12.727 -25.734 -7.176 1.00 34.34 H new ATOM 971 N LEU A 464 -12.625 -24.051 -0.987 1.00 21.44 N ATOM 972 CA LEU A 464 -12.842 -24.238 0.439 1.00 11.14 C ATOM 973 C LEU A 464 -14.133 -24.966 0.736 1.00 13.03 C ATOM 974 O LEU A 464 -14.167 -25.816 1.607 1.00 10.04 O ATOM 975 CB LEU A 464 -12.745 -22.925 1.226 1.00 62.12 C ATOM 976 CG LEU A 464 -11.335 -22.362 1.500 1.00 5.44 C ATOM 977 CD1 LEU A 464 -10.546 -22.154 0.227 1.00 54.45 C ATOM 978 CD2 LEU A 464 -11.436 -21.066 2.283 1.00 60.35 C ATOM 0 H LEU A 464 -12.634 -23.076 -1.286 1.00 21.44 H new ATOM 0 HA LEU A 464 -12.028 -24.876 0.783 1.00 11.14 H new ATOM 0 HB2 LEU A 464 -13.311 -22.166 0.686 1.00 62.12 H new ATOM 0 HB3 LEU A 464 -13.242 -23.070 2.185 1.00 62.12 H new ATOM 0 HG LEU A 464 -10.795 -23.100 2.093 1.00 5.44 H new ATOM 0 HD11 LEU A 464 -9.561 -21.757 0.470 1.00 54.45 H new ATOM 0 HD12 LEU A 464 -10.435 -23.106 -0.292 1.00 54.45 H new ATOM 0 HD13 LEU A 464 -11.073 -21.449 -0.416 1.00 54.45 H new ATOM 0 HD21 LEU A 464 -10.436 -20.676 2.472 1.00 60.35 H new ATOM 0 HD22 LEU A 464 -12.007 -20.337 1.708 1.00 60.35 H new ATOM 0 HD23 LEU A 464 -11.938 -21.253 3.232 1.00 60.35 H new ATOM 990 N ARG A 465 -15.197 -24.675 -0.008 1.00 70.44 N ATOM 991 CA ARG A 465 -16.455 -25.394 0.225 1.00 60.05 C ATOM 992 C ARG A 465 -16.366 -26.820 -0.271 1.00 0.31 C ATOM 993 O ARG A 465 -17.104 -27.692 0.169 1.00 13.22 O ATOM 994 CB ARG A 465 -17.710 -24.701 -0.346 1.00 23.53 C ATOM 995 CG ARG A 465 -18.100 -23.394 0.336 1.00 50.34 C ATOM 996 CD ARG A 465 -17.219 -22.229 -0.058 1.00 14.10 C ATOM 997 NE ARG A 465 -17.453 -21.819 -1.448 1.00 63.05 N ATOM 998 CZ ARG A 465 -17.124 -20.625 -1.951 1.00 74.04 C ATOM 999 NH1 ARG A 465 -16.382 -19.780 -1.237 1.00 14.30 N ATOM 1000 NH2 ARG A 465 -17.519 -20.293 -3.176 1.00 61.14 N ATOM 0 H ARG A 465 -15.221 -23.976 -0.750 1.00 70.44 H new ATOM 0 HA ARG A 465 -16.585 -25.389 1.307 1.00 60.05 H new ATOM 0 HB2 ARG A 465 -17.546 -24.504 -1.405 1.00 23.53 H new ATOM 0 HB3 ARG A 465 -18.550 -25.392 -0.277 1.00 23.53 H new ATOM 0 HG2 ARG A 465 -19.135 -23.158 0.089 1.00 50.34 H new ATOM 0 HG3 ARG A 465 -18.053 -23.528 1.417 1.00 50.34 H new ATOM 0 HD2 ARG A 465 -17.410 -21.387 0.607 1.00 14.10 H new ATOM 0 HD3 ARG A 465 -16.172 -22.505 0.069 1.00 14.10 H new ATOM 0 HE ARG A 465 -17.897 -22.492 -2.073 1.00 63.05 H new ATOM 0 HH11 ARG A 465 -16.064 -20.044 -0.304 1.00 14.30 H new ATOM 0 HH12 ARG A 465 -16.132 -18.869 -1.623 1.00 14.30 H new ATOM 0 HH21 ARG A 465 -18.071 -20.948 -3.729 1.00 61.14 H new ATOM 0 HH22 ARG A 465 -17.270 -19.383 -3.563 1.00 61.14 H new ATOM 1014 N SER A 466 -15.462 -27.050 -1.178 1.00 73.05 N ATOM 1015 CA SER A 466 -15.223 -28.366 -1.691 1.00 12.42 C ATOM 1016 C SER A 466 -14.344 -29.150 -0.698 1.00 73.32 C ATOM 1017 O SER A 466 -14.471 -30.376 -0.554 1.00 44.42 O ATOM 1018 CB SER A 466 -14.535 -28.239 -3.046 1.00 44.25 C ATOM 1019 OG SER A 466 -15.309 -27.413 -3.913 1.00 64.14 O ATOM 0 H SER A 466 -14.868 -26.327 -1.584 1.00 73.05 H new ATOM 0 HA SER A 466 -16.161 -28.907 -1.816 1.00 12.42 H new ATOM 0 HB2 SER A 466 -13.540 -27.814 -2.919 1.00 44.25 H new ATOM 0 HB3 SER A 466 -14.406 -29.226 -3.491 1.00 44.25 H new ATOM 0 HG SER A 466 -14.858 -27.336 -4.780 1.00 64.14 H new ATOM 1025 N GLN A 467 -13.473 -28.427 0.001 1.00 21.22 N ATOM 1026 CA GLN A 467 -12.564 -29.015 0.968 1.00 62.44 C ATOM 1027 C GLN A 467 -13.249 -29.226 2.325 1.00 33.22 C ATOM 1028 O GLN A 467 -13.323 -30.351 2.830 1.00 60.43 O ATOM 1029 CB GLN A 467 -11.347 -28.091 1.156 1.00 4.45 C ATOM 1030 CG GLN A 467 -10.303 -28.606 2.138 1.00 24.35 C ATOM 1031 CD GLN A 467 -9.627 -29.873 1.667 1.00 30.03 C ATOM 1032 OE1 GLN A 467 -10.085 -30.979 1.945 1.00 42.32 O ATOM 1033 NE2 GLN A 467 -8.536 -29.725 0.962 1.00 74.53 N ATOM 0 H GLN A 467 -13.381 -27.415 -0.091 1.00 21.22 H new ATOM 0 HA GLN A 467 -12.248 -29.986 0.587 1.00 62.44 H new ATOM 0 HB2 GLN A 467 -10.871 -27.938 0.187 1.00 4.45 H new ATOM 0 HB3 GLN A 467 -11.697 -27.116 1.497 1.00 4.45 H new ATOM 0 HG2 GLN A 467 -9.549 -27.835 2.296 1.00 24.35 H new ATOM 0 HG3 GLN A 467 -10.778 -28.790 3.102 1.00 24.35 H new ATOM 0 HE21 GLN A 467 -8.187 -28.790 0.752 1.00 74.53 H new ATOM 0 HE22 GLN A 467 -8.033 -30.545 0.622 1.00 74.53 H new ATOM 1042 N GLU A 468 -13.777 -28.149 2.885 1.00 54.23 N ATOM 1043 CA GLU A 468 -14.347 -28.162 4.229 1.00 51.23 C ATOM 1044 C GLU A 468 -15.769 -28.652 4.234 1.00 4.21 C ATOM 1045 O GLU A 468 -16.298 -29.004 5.300 1.00 40.50 O ATOM 1046 CB GLU A 468 -14.334 -26.758 4.824 1.00 3.42 C ATOM 1047 CG GLU A 468 -12.974 -26.121 4.931 1.00 51.04 C ATOM 1048 CD GLU A 468 -13.045 -24.808 5.664 1.00 72.14 C ATOM 1049 OE1 GLU A 468 -12.981 -24.825 6.917 1.00 71.32 O ATOM 1050 OE2 GLU A 468 -13.162 -23.746 5.012 1.00 63.33 O ATOM 0 H GLU A 468 -13.824 -27.241 2.424 1.00 54.23 H new ATOM 0 HA GLU A 468 -13.733 -28.840 4.821 1.00 51.23 H new ATOM 0 HB2 GLU A 468 -14.971 -26.117 4.215 1.00 3.42 H new ATOM 0 HB3 GLU A 468 -14.778 -26.798 5.818 1.00 3.42 H new ATOM 0 HG2 GLU A 468 -12.294 -26.795 5.452 1.00 51.04 H new ATOM 0 HG3 GLU A 468 -12.564 -25.962 3.934 1.00 51.04 H new