USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 761 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 606 LYS NZ :NH3+ 140:sc=-0.00886 (180deg=-0.109) USER MOD Set 1.2: A 608 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.24) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 596 SER OG : rot -102:sc= 1.91 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 610 SER OG : rot -140:sc= -0.0153 USER MOD Single : A 622 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.04) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc=-0.00398 X(o=-0.004,f=-0.0016) USER MOD Single : A 631 SER OG : rot 171:sc= 1.24 USER MOD Single : A 632 LYS NZ :NH3+ 170:sc=-0.00612 (180deg=-0.146) USER MOD Single : A 639 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.37) USER MOD Single : A 641 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.14) USER MOD Single : A 646 ASN : amide:sc= -2.62! C(o=-2.6!,f=-12!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -171:sc= -0.443 (180deg=-0.861) USER MOD Single : A 655 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.5) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -155:sc= -2.56 (180deg=-3.57!) USER MOD Single : A 661 THR OG1 : rot 79:sc= 0.973 USER MOD Single : A 665 SER OG : rot -166:sc= 1.02 USER MOD Single : A 666 MET CE :methyl -114:sc= -2.59 (180deg=-5.49!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 87:sc= 0.0858 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl -135:sc= -1.5 (180deg=-1.81) USER MOD Single : A 677 GLN : amide:sc= -0.433 K(o=-0.43,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.693 -5.402 0.668 1.00 63.44 N ATOM 79 CA GLU A 585 -13.877 -4.649 -0.573 1.00 52.23 C ATOM 80 C GLU A 585 -12.951 -3.445 -0.590 1.00 12.12 C ATOM 81 O GLU A 585 -12.532 -2.971 0.462 1.00 22.12 O ATOM 82 CB GLU A 585 -15.339 -4.223 -0.768 1.00 11.21 C ATOM 83 CG GLU A 585 -15.925 -3.449 0.388 1.00 32.12 C ATOM 84 CD GLU A 585 -17.337 -2.977 0.127 1.00 30.52 C ATOM 85 OE1 GLU A 585 -18.204 -3.797 -0.224 1.00 60.10 O ATOM 86 OE2 GLU A 585 -17.616 -1.779 0.329 1.00 12.41 O ATOM 0 HA GLU A 585 -13.622 -5.302 -1.408 1.00 52.23 H new ATOM 0 HB2 GLU A 585 -15.410 -3.614 -1.669 1.00 11.21 H new ATOM 0 HB3 GLU A 585 -15.944 -5.114 -0.937 1.00 11.21 H new ATOM 0 HG2 GLU A 585 -15.916 -4.076 1.280 1.00 32.12 H new ATOM 0 HG3 GLU A 585 -15.293 -2.587 0.599 1.00 32.12 H new ATOM 93 N PHE A 586 -12.644 -2.955 -1.765 1.00 43.44 N ATOM 94 CA PHE A 586 -11.676 -1.883 -1.923 1.00 52.31 C ATOM 95 C PHE A 586 -12.301 -0.526 -2.033 1.00 71.32 C ATOM 96 O PHE A 586 -13.308 -0.341 -2.712 1.00 4.53 O ATOM 97 CB PHE A 586 -10.782 -2.138 -3.123 1.00 33.43 C ATOM 98 CG PHE A 586 -9.888 -3.289 -2.899 1.00 10.13 C ATOM 99 CD1 PHE A 586 -10.341 -4.585 -3.080 1.00 20.43 C ATOM 100 CD2 PHE A 586 -8.603 -3.089 -2.458 1.00 21.12 C ATOM 101 CE1 PHE A 586 -9.523 -5.656 -2.835 1.00 33.40 C ATOM 102 CE2 PHE A 586 -7.790 -4.156 -2.209 1.00 41.33 C ATOM 103 CZ PHE A 586 -8.243 -5.443 -2.395 1.00 55.44 C ATOM 0 H PHE A 586 -13.053 -3.282 -2.640 1.00 43.44 H new ATOM 0 HA PHE A 586 -11.079 -1.883 -1.011 1.00 52.31 H new ATOM 0 HB2 PHE A 586 -11.398 -2.321 -4.004 1.00 33.43 H new ATOM 0 HB3 PHE A 586 -10.186 -1.249 -3.329 1.00 33.43 H new ATOM 0 HD1 PHE A 586 -11.353 -4.754 -3.419 1.00 20.43 H new ATOM 0 HD2 PHE A 586 -8.235 -2.085 -2.308 1.00 21.12 H new ATOM 0 HE1 PHE A 586 -9.885 -6.662 -2.988 1.00 33.40 H new ATOM 0 HE2 PHE A 586 -6.781 -3.990 -1.862 1.00 41.33 H new ATOM 0 HZ PHE A 586 -7.592 -6.281 -2.195 1.00 55.44 H new ATOM 113 N LEU A 587 -11.700 0.415 -1.358 1.00 70.02 N ATOM 114 CA LEU A 587 -12.105 1.790 -1.390 1.00 60.10 C ATOM 115 C LEU A 587 -10.891 2.651 -1.573 1.00 13.51 C ATOM 116 O LEU A 587 -9.869 2.456 -0.914 1.00 73.32 O ATOM 117 CB LEU A 587 -12.839 2.181 -0.109 1.00 24.23 C ATOM 118 CG LEU A 587 -14.168 1.483 0.134 1.00 4.15 C ATOM 119 CD1 LEU A 587 -14.708 1.818 1.505 1.00 35.10 C ATOM 120 CD2 LEU A 587 -15.184 1.873 -0.926 1.00 11.21 C ATOM 0 H LEU A 587 -10.895 0.241 -0.756 1.00 70.02 H new ATOM 0 HA LEU A 587 -12.794 1.935 -2.222 1.00 60.10 H new ATOM 0 HB2 LEU A 587 -12.184 1.979 0.738 1.00 24.23 H new ATOM 0 HB3 LEU A 587 -13.014 3.257 -0.127 1.00 24.23 H new ATOM 0 HG LEU A 587 -13.994 0.409 0.077 1.00 4.15 H new ATOM 0 HD11 LEU A 587 -15.659 1.307 1.656 1.00 35.10 H new ATOM 0 HD12 LEU A 587 -13.997 1.494 2.265 1.00 35.10 H new ATOM 0 HD13 LEU A 587 -14.858 2.895 1.584 1.00 35.10 H new ATOM 0 HD21 LEU A 587 -16.127 1.362 -0.732 1.00 11.21 H new ATOM 0 HD22 LEU A 587 -15.343 2.951 -0.898 1.00 11.21 H new ATOM 0 HD23 LEU A 587 -14.812 1.587 -1.910 1.00 11.21 H new ATOM 132 N THR A 588 -10.985 3.563 -2.463 1.00 72.20 N ATOM 133 CA THR A 588 -9.898 4.460 -2.737 1.00 34.20 C ATOM 134 C THR A 588 -10.252 5.857 -2.237 1.00 71.00 C ATOM 135 O THR A 588 -11.281 6.418 -2.611 1.00 72.44 O ATOM 136 CB THR A 588 -9.592 4.493 -4.250 1.00 14.45 C ATOM 137 OG1 THR A 588 -9.317 3.151 -4.698 1.00 4.24 O ATOM 138 CG2 THR A 588 -8.388 5.377 -4.549 1.00 52.54 C ATOM 0 H THR A 588 -11.816 3.721 -3.032 1.00 72.20 H new ATOM 0 HA THR A 588 -9.007 4.108 -2.217 1.00 34.20 H new ATOM 0 HB THR A 588 -10.456 4.904 -4.772 1.00 14.45 H new ATOM 0 HG1 THR A 588 -9.123 3.160 -5.659 1.00 4.24 H new ATOM 0 HG21 THR A 588 -8.197 5.381 -5.622 1.00 52.54 H new ATOM 0 HG22 THR A 588 -8.591 6.394 -4.213 1.00 52.54 H new ATOM 0 HG23 THR A 588 -7.514 4.990 -4.026 1.00 52.54 H new ATOM 146 N PHE A 589 -9.432 6.385 -1.370 1.00 23.11 N ATOM 147 CA PHE A 589 -9.630 7.703 -0.839 1.00 23.32 C ATOM 148 C PHE A 589 -8.483 8.582 -1.223 1.00 54.11 C ATOM 149 O PHE A 589 -7.368 8.109 -1.356 1.00 1.10 O ATOM 150 CB PHE A 589 -9.721 7.659 0.680 1.00 24.04 C ATOM 151 CG PHE A 589 -10.872 6.870 1.142 1.00 41.21 C ATOM 152 CD1 PHE A 589 -12.136 7.259 0.804 1.00 31.11 C ATOM 153 CD2 PHE A 589 -10.701 5.742 1.903 1.00 62.14 C ATOM 154 CE1 PHE A 589 -13.215 6.552 1.205 1.00 44.23 C ATOM 155 CE2 PHE A 589 -11.783 5.015 2.323 1.00 62.51 C ATOM 156 CZ PHE A 589 -13.051 5.419 1.975 1.00 24.31 C ATOM 0 H PHE A 589 -8.604 5.910 -1.011 1.00 23.11 H new ATOM 0 HA PHE A 589 -10.560 8.099 -1.247 1.00 23.32 H new ATOM 0 HB2 PHE A 589 -8.803 7.233 1.086 1.00 24.04 H new ATOM 0 HB3 PHE A 589 -9.799 8.675 1.068 1.00 24.04 H new ATOM 0 HD1 PHE A 589 -12.276 8.147 0.206 1.00 31.11 H new ATOM 0 HD2 PHE A 589 -9.705 5.424 2.173 1.00 62.14 H new ATOM 0 HE1 PHE A 589 -14.207 6.874 0.923 1.00 44.23 H new ATOM 0 HE2 PHE A 589 -11.641 4.129 2.924 1.00 62.51 H new ATOM 0 HZ PHE A 589 -13.911 4.854 2.302 1.00 24.31 H new ATOM 166 N GLU A 590 -8.739 9.828 -1.432 1.00 61.51 N ATOM 167 CA GLU A 590 -7.694 10.768 -1.701 1.00 32.51 C ATOM 168 C GLU A 590 -7.737 11.893 -0.719 1.00 72.55 C ATOM 169 O GLU A 590 -8.786 12.462 -0.456 1.00 52.14 O ATOM 170 CB GLU A 590 -7.682 11.254 -3.134 1.00 75.11 C ATOM 171 CG GLU A 590 -7.366 10.160 -4.132 1.00 44.03 C ATOM 172 CD GLU A 590 -7.226 10.673 -5.521 1.00 61.32 C ATOM 173 OE1 GLU A 590 -8.249 10.799 -6.216 1.00 2.25 O ATOM 174 OE2 GLU A 590 -6.085 10.951 -5.949 1.00 55.40 O ATOM 0 H GLU A 590 -9.677 10.228 -1.422 1.00 61.51 H new ATOM 0 HA GLU A 590 -6.748 10.242 -1.573 1.00 32.51 H new ATOM 0 HB2 GLU A 590 -8.654 11.685 -3.373 1.00 75.11 H new ATOM 0 HB3 GLU A 590 -6.946 12.052 -3.234 1.00 75.11 H new ATOM 0 HG2 GLU A 590 -6.442 9.662 -3.838 1.00 44.03 H new ATOM 0 HG3 GLU A 590 -8.156 9.409 -4.104 1.00 44.03 H new ATOM 181 N VAL A 591 -6.611 12.211 -0.194 1.00 65.24 N ATOM 182 CA VAL A 591 -6.499 13.166 0.863 1.00 23.33 C ATOM 183 C VAL A 591 -5.526 14.234 0.455 1.00 15.04 C ATOM 184 O VAL A 591 -4.379 13.944 0.189 1.00 61.15 O ATOM 185 CB VAL A 591 -5.958 12.476 2.156 1.00 4.24 C ATOM 186 CG1 VAL A 591 -5.855 13.447 3.316 1.00 0.45 C ATOM 187 CG2 VAL A 591 -6.807 11.286 2.534 1.00 54.53 C ATOM 0 H VAL A 591 -5.720 11.811 -0.488 1.00 65.24 H new ATOM 0 HA VAL A 591 -7.482 13.594 1.060 1.00 23.33 H new ATOM 0 HB VAL A 591 -4.951 12.124 1.931 1.00 4.24 H new ATOM 0 HG11 VAL A 591 -5.475 12.925 4.194 1.00 0.45 H new ATOM 0 HG12 VAL A 591 -5.175 14.258 3.053 1.00 0.45 H new ATOM 0 HG13 VAL A 591 -6.841 13.857 3.536 1.00 0.45 H new ATOM 0 HG21 VAL A 591 -6.407 10.826 3.437 1.00 54.53 H new ATOM 0 HG22 VAL A 591 -7.831 11.613 2.716 1.00 54.53 H new ATOM 0 HG23 VAL A 591 -6.797 10.559 1.722 1.00 54.53 H new ATOM 197 N PRO A 592 -5.946 15.465 0.346 1.00 11.43 N ATOM 198 CA PRO A 592 -5.024 16.535 0.092 1.00 63.31 C ATOM 199 C PRO A 592 -4.286 16.878 1.389 1.00 55.20 C ATOM 200 O PRO A 592 -4.850 16.741 2.492 1.00 42.12 O ATOM 201 CB PRO A 592 -5.923 17.675 -0.368 1.00 33.22 C ATOM 202 CG PRO A 592 -7.218 17.425 0.313 1.00 13.30 C ATOM 203 CD PRO A 592 -7.345 15.930 0.443 1.00 33.22 C ATOM 0 HA PRO A 592 -4.256 16.303 -0.646 1.00 63.31 H new ATOM 0 HB2 PRO A 592 -5.509 18.644 -0.090 1.00 33.22 H new ATOM 0 HB3 PRO A 592 -6.038 17.677 -1.452 1.00 33.22 H new ATOM 0 HG2 PRO A 592 -7.241 17.904 1.292 1.00 13.30 H new ATOM 0 HG3 PRO A 592 -8.046 17.837 -0.263 1.00 13.30 H new ATOM 0 HD2 PRO A 592 -7.800 15.645 1.392 1.00 33.22 H new ATOM 0 HD3 PRO A 592 -7.966 15.508 -0.347 1.00 33.22 H new ATOM 211 N LEU A 593 -3.039 17.278 1.287 1.00 54.41 N ATOM 212 CA LEU A 593 -2.275 17.614 2.478 1.00 3.55 C ATOM 213 C LEU A 593 -2.645 18.985 2.979 1.00 43.32 C ATOM 214 O LEU A 593 -1.931 19.964 2.780 1.00 4.44 O ATOM 215 CB LEU A 593 -0.738 17.448 2.321 1.00 4.24 C ATOM 216 CG LEU A 593 -0.177 16.008 2.191 1.00 70.43 C ATOM 217 CD1 LEU A 593 -0.563 15.157 3.389 1.00 23.14 C ATOM 218 CD2 LEU A 593 -0.603 15.335 0.897 1.00 31.41 C ATOM 0 H LEU A 593 -2.533 17.379 0.407 1.00 54.41 H new ATOM 0 HA LEU A 593 -2.555 16.879 3.232 1.00 3.55 H new ATOM 0 HB2 LEU A 593 -0.429 18.009 1.439 1.00 4.24 H new ATOM 0 HB3 LEU A 593 -0.261 17.917 3.181 1.00 4.24 H new ATOM 0 HG LEU A 593 0.909 16.098 2.166 1.00 70.43 H new ATOM 0 HD11 LEU A 593 -0.155 14.153 3.269 1.00 23.14 H new ATOM 0 HD12 LEU A 593 -0.162 15.605 4.298 1.00 23.14 H new ATOM 0 HD13 LEU A 593 -1.649 15.101 3.461 1.00 23.14 H new ATOM 0 HD21 LEU A 593 -0.184 14.330 0.855 1.00 31.41 H new ATOM 0 HD22 LEU A 593 -1.691 15.277 0.858 1.00 31.41 H new ATOM 0 HD23 LEU A 593 -0.240 15.915 0.049 1.00 31.41 H new ATOM 230 N ASN A 594 -3.810 19.055 3.557 1.00 50.32 N ATOM 231 CA ASN A 594 -4.347 20.323 4.061 1.00 62.32 C ATOM 232 C ASN A 594 -3.888 20.636 5.467 1.00 12.24 C ATOM 233 O ASN A 594 -2.844 21.262 5.651 1.00 74.12 O ATOM 234 CB ASN A 594 -5.882 20.415 3.923 1.00 64.14 C ATOM 235 CG ASN A 594 -6.354 20.570 2.480 1.00 3.02 C ATOM 236 OD1 ASN A 594 -5.699 20.131 1.543 1.00 51.00 O ATOM 237 ND2 ASN A 594 -7.495 21.182 2.297 1.00 33.44 N ATOM 0 H ASN A 594 -4.423 18.252 3.700 1.00 50.32 H new ATOM 0 HA ASN A 594 -3.927 21.097 3.418 1.00 62.32 H new ATOM 0 HB2 ASN A 594 -6.332 19.519 4.350 1.00 64.14 H new ATOM 0 HB3 ASN A 594 -6.242 21.262 4.508 1.00 64.14 H new ATOM 0 HD21 ASN A 594 -7.862 21.305 1.353 1.00 33.44 H new ATOM 0 HD22 ASN A 594 -8.018 21.537 3.098 1.00 33.44 H new ATOM 244 N ASP A 595 -4.629 20.182 6.463 1.00 75.53 N ATOM 245 CA ASP A 595 -4.247 20.427 7.860 1.00 53.42 C ATOM 246 C ASP A 595 -3.346 19.318 8.324 1.00 15.12 C ATOM 247 O ASP A 595 -2.748 19.385 9.407 1.00 73.21 O ATOM 248 CB ASP A 595 -5.471 20.535 8.782 1.00 4.23 C ATOM 249 CG ASP A 595 -6.243 19.243 8.918 1.00 21.11 C ATOM 250 OD1 ASP A 595 -6.870 18.809 7.918 1.00 32.42 O ATOM 251 OD2 ASP A 595 -6.231 18.645 10.019 1.00 12.11 O ATOM 0 H ASP A 595 -5.489 19.648 6.343 1.00 75.53 H new ATOM 0 HA ASP A 595 -3.724 21.382 7.908 1.00 53.42 H new ATOM 0 HB2 ASP A 595 -5.143 20.858 9.770 1.00 4.23 H new ATOM 0 HB3 ASP A 595 -6.137 21.308 8.398 1.00 4.23 H new ATOM 256 N SER A 596 -3.263 18.289 7.511 1.00 61.00 N ATOM 257 CA SER A 596 -2.387 17.198 7.753 1.00 72.30 C ATOM 258 C SER A 596 -0.958 17.650 7.511 1.00 22.23 C ATOM 259 O SER A 596 -0.471 17.716 6.378 1.00 44.52 O ATOM 260 CB SER A 596 -2.753 16.023 6.878 1.00 12.41 C ATOM 261 OG SER A 596 -4.113 15.640 7.094 1.00 21.32 O ATOM 0 H SER A 596 -3.814 18.199 6.657 1.00 61.00 H new ATOM 0 HA SER A 596 -2.480 16.870 8.788 1.00 72.30 H new ATOM 0 HB2 SER A 596 -2.605 16.283 5.830 1.00 12.41 H new ATOM 0 HB3 SER A 596 -2.094 15.182 7.094 1.00 12.41 H new ATOM 0 HG SER A 596 -4.142 14.846 7.667 1.00 21.32 H new ATOM 267 N GLY A 597 -0.373 18.061 8.575 1.00 51.15 N ATOM 268 CA GLY A 597 0.975 18.533 8.622 1.00 32.12 C ATOM 269 C GLY A 597 1.484 18.354 10.012 1.00 23.31 C ATOM 270 O GLY A 597 2.672 18.161 10.235 1.00 13.15 O ATOM 0 H GLY A 597 -0.837 18.081 9.483 1.00 51.15 H new ATOM 0 HA2 GLY A 597 1.596 17.981 7.916 1.00 32.12 H new ATOM 0 HA3 GLY A 597 1.020 19.583 8.333 1.00 32.12 H new ATOM 274 N SER A 598 0.552 18.433 10.967 1.00 25.04 N ATOM 275 CA SER A 598 0.829 18.141 12.358 1.00 23.24 C ATOM 276 C SER A 598 1.106 16.648 12.491 1.00 35.40 C ATOM 277 O SER A 598 1.809 16.188 13.382 1.00 3.12 O ATOM 278 CB SER A 598 -0.383 18.535 13.181 1.00 62.23 C ATOM 279 OG SER A 598 -0.788 19.866 12.865 1.00 12.43 O ATOM 0 H SER A 598 -0.415 18.703 10.786 1.00 25.04 H new ATOM 0 HA SER A 598 1.697 18.697 12.713 1.00 23.24 H new ATOM 0 HB2 SER A 598 -1.203 17.843 12.987 1.00 62.23 H new ATOM 0 HB3 SER A 598 -0.149 18.462 14.243 1.00 62.23 H new ATOM 0 HG SER A 598 -1.572 20.106 13.402 1.00 12.43 H new ATOM 285 N ALA A 599 0.540 15.932 11.579 1.00 20.01 N ATOM 286 CA ALA A 599 0.715 14.553 11.411 1.00 42.34 C ATOM 287 C ALA A 599 0.848 14.361 9.921 1.00 64.04 C ATOM 288 O ALA A 599 0.809 15.342 9.176 1.00 13.02 O ATOM 289 CB ALA A 599 -0.497 13.802 11.955 1.00 22.01 C ATOM 0 H ALA A 599 -0.097 16.334 10.892 1.00 20.01 H new ATOM 0 HA ALA A 599 1.584 14.171 11.946 1.00 42.34 H new ATOM 0 HB1 ALA A 599 -0.352 12.730 11.820 1.00 22.01 H new ATOM 0 HB2 ALA A 599 -0.615 14.021 13.016 1.00 22.01 H new ATOM 0 HB3 ALA A 599 -1.392 14.117 11.418 1.00 22.01 H new ATOM 295 N GLY A 600 0.972 13.169 9.488 1.00 61.20 N ATOM 296 CA GLY A 600 1.111 12.914 8.081 1.00 72.23 C ATOM 297 C GLY A 600 -0.228 13.023 7.421 1.00 23.44 C ATOM 298 O GLY A 600 -0.417 13.793 6.486 1.00 13.31 O ATOM 0 H GLY A 600 0.982 12.338 10.079 1.00 61.20 H new ATOM 0 HA2 GLY A 600 1.806 13.627 7.638 1.00 72.23 H new ATOM 0 HA3 GLY A 600 1.528 11.920 7.920 1.00 72.23 H new ATOM 302 N LEU A 601 -1.155 12.251 7.920 1.00 4.21 N ATOM 303 CA LEU A 601 -2.527 12.292 7.498 1.00 63.14 C ATOM 304 C LEU A 601 -3.376 12.566 8.707 1.00 21.23 C ATOM 305 O LEU A 601 -4.281 13.386 8.667 1.00 71.33 O ATOM 306 CB LEU A 601 -2.980 10.960 6.850 1.00 22.45 C ATOM 307 CG LEU A 601 -2.239 10.509 5.588 1.00 42.24 C ATOM 308 CD1 LEU A 601 -2.987 9.380 4.892 1.00 75.11 C ATOM 309 CD2 LEU A 601 -2.019 11.656 4.638 1.00 20.22 C ATOM 0 H LEU A 601 -0.972 11.560 8.648 1.00 4.21 H new ATOM 0 HA LEU A 601 -2.635 13.073 6.746 1.00 63.14 H new ATOM 0 HB2 LEU A 601 -2.886 10.172 7.597 1.00 22.45 H new ATOM 0 HB3 LEU A 601 -4.039 11.045 6.608 1.00 22.45 H new ATOM 0 HG LEU A 601 -1.262 10.138 5.899 1.00 42.24 H new ATOM 0 HD11 LEU A 601 -2.440 9.078 3.999 1.00 75.11 H new ATOM 0 HD12 LEU A 601 -3.075 8.530 5.569 1.00 75.11 H new ATOM 0 HD13 LEU A 601 -3.982 9.723 4.609 1.00 75.11 H new ATOM 0 HD21 LEU A 601 -1.491 11.300 3.754 1.00 20.22 H new ATOM 0 HD22 LEU A 601 -2.982 12.073 4.342 1.00 20.22 H new ATOM 0 HD23 LEU A 601 -1.425 12.427 5.129 1.00 20.22 H new ATOM 321 N GLY A 602 -3.040 11.881 9.773 1.00 23.15 N ATOM 322 CA GLY A 602 -3.696 11.952 11.007 1.00 0.54 C ATOM 323 C GLY A 602 -4.430 10.666 11.252 1.00 51.32 C ATOM 324 O GLY A 602 -5.609 10.659 11.568 1.00 11.20 O ATOM 0 H GLY A 602 -2.255 11.230 9.778 1.00 23.15 H new ATOM 0 HA2 GLY A 602 -2.976 12.131 11.805 1.00 0.54 H new ATOM 0 HA3 GLY A 602 -4.394 12.789 11.014 1.00 0.54 H new ATOM 328 N VAL A 603 -3.741 9.553 11.045 1.00 45.13 N ATOM 329 CA VAL A 603 -4.305 8.250 11.313 1.00 43.01 C ATOM 330 C VAL A 603 -3.223 7.409 11.975 1.00 22.53 C ATOM 331 O VAL A 603 -2.038 7.638 11.755 1.00 2.32 O ATOM 332 CB VAL A 603 -4.732 7.514 9.990 1.00 61.33 C ATOM 333 CG1 VAL A 603 -5.562 6.286 10.278 1.00 60.31 C ATOM 334 CG2 VAL A 603 -5.430 8.433 9.000 1.00 13.24 C ATOM 0 H VAL A 603 -2.785 9.533 10.690 1.00 45.13 H new ATOM 0 HA VAL A 603 -5.187 8.376 11.941 1.00 43.01 H new ATOM 0 HB VAL A 603 -3.807 7.189 9.513 1.00 61.33 H new ATOM 0 HG11 VAL A 603 -5.838 5.805 9.340 1.00 60.31 H new ATOM 0 HG12 VAL A 603 -4.984 5.590 10.886 1.00 60.31 H new ATOM 0 HG13 VAL A 603 -6.465 6.575 10.816 1.00 60.31 H new ATOM 0 HG21 VAL A 603 -5.700 7.868 8.108 1.00 13.24 H new ATOM 0 HG22 VAL A 603 -6.331 8.843 9.457 1.00 13.24 H new ATOM 0 HG23 VAL A 603 -4.760 9.247 8.725 1.00 13.24 H new ATOM 344 N SER A 604 -3.605 6.457 12.773 1.00 33.31 N ATOM 345 CA SER A 604 -2.666 5.562 13.340 1.00 51.42 C ATOM 346 C SER A 604 -2.872 4.222 12.705 1.00 13.21 C ATOM 347 O SER A 604 -4.024 3.748 12.577 1.00 71.23 O ATOM 348 CB SER A 604 -2.872 5.444 14.848 1.00 4.43 C ATOM 349 OG SER A 604 -2.836 6.718 15.465 1.00 71.01 O ATOM 0 H SER A 604 -4.574 6.287 13.043 1.00 33.31 H new ATOM 0 HA SER A 604 -1.655 5.929 13.164 1.00 51.42 H new ATOM 0 HB2 SER A 604 -3.829 4.964 15.052 1.00 4.43 H new ATOM 0 HB3 SER A 604 -2.098 4.806 15.276 1.00 4.43 H new ATOM 0 HG SER A 604 -2.972 6.618 16.430 1.00 71.01 H new ATOM 355 N VAL A 605 -1.814 3.622 12.298 1.00 4.52 N ATOM 356 CA VAL A 605 -1.859 2.315 11.757 1.00 40.32 C ATOM 357 C VAL A 605 -0.942 1.391 12.493 1.00 61.15 C ATOM 358 O VAL A 605 -0.066 1.812 13.241 1.00 73.00 O ATOM 359 CB VAL A 605 -1.541 2.219 10.252 1.00 0.13 C ATOM 360 CG1 VAL A 605 -2.712 2.650 9.383 1.00 1.13 C ATOM 361 CG2 VAL A 605 -0.293 3.005 9.866 1.00 24.33 C ATOM 0 H VAL A 605 -0.880 4.031 12.332 1.00 4.52 H new ATOM 0 HA VAL A 605 -2.900 2.017 11.882 1.00 40.32 H new ATOM 0 HB VAL A 605 -1.347 1.163 10.066 1.00 0.13 H new ATOM 0 HG11 VAL A 605 -2.436 2.564 8.332 1.00 1.13 H new ATOM 0 HG12 VAL A 605 -3.571 2.010 9.587 1.00 1.13 H new ATOM 0 HG13 VAL A 605 -2.969 3.685 9.607 1.00 1.13 H new ATOM 0 HG21 VAL A 605 -0.115 2.903 8.795 1.00 24.33 H new ATOM 0 HG22 VAL A 605 -0.435 4.057 10.111 1.00 24.33 H new ATOM 0 HG23 VAL A 605 0.565 2.617 10.415 1.00 24.33 H new ATOM 371 N LYS A 606 -1.170 0.148 12.300 1.00 31.13 N ATOM 372 CA LYS A 606 -0.378 -0.897 12.874 1.00 61.20 C ATOM 373 C LYS A 606 -0.391 -2.046 11.939 1.00 74.35 C ATOM 374 O LYS A 606 -1.326 -2.196 11.164 1.00 64.04 O ATOM 375 CB LYS A 606 -0.855 -1.337 14.259 1.00 45.11 C ATOM 376 CG LYS A 606 -2.237 -1.965 14.287 1.00 12.40 C ATOM 377 CD LYS A 606 -2.573 -2.451 15.677 1.00 44.51 C ATOM 378 CE LYS A 606 -3.951 -3.103 15.735 1.00 61.02 C ATOM 379 NZ LYS A 606 -4.046 -4.325 14.897 1.00 13.40 N ATOM 0 H LYS A 606 -1.937 -0.193 11.720 1.00 31.13 H new ATOM 0 HA LYS A 606 0.631 -0.512 13.020 1.00 61.20 H new ATOM 0 HB2 LYS A 606 -0.138 -2.051 14.665 1.00 45.11 H new ATOM 0 HB3 LYS A 606 -0.851 -0.471 14.921 1.00 45.11 H new ATOM 0 HG2 LYS A 606 -2.980 -1.237 13.961 1.00 12.40 H new ATOM 0 HG3 LYS A 606 -2.278 -2.798 13.585 1.00 12.40 H new ATOM 0 HD2 LYS A 606 -1.819 -3.167 16.003 1.00 44.51 H new ATOM 0 HD3 LYS A 606 -2.539 -1.613 16.373 1.00 44.51 H new ATOM 0 HE2 LYS A 606 -4.184 -3.358 16.769 1.00 61.02 H new ATOM 0 HE3 LYS A 606 -4.702 -2.384 15.407 1.00 61.02 H new ATOM 0 HZ1 LYS A 606 -4.598 -5.049 15.400 1.00 13.40 H new ATOM 0 HZ2 LYS A 606 -4.516 -4.094 13.998 1.00 13.40 H new ATOM 0 HZ3 LYS A 606 -3.091 -4.689 14.705 1.00 13.40 H new ATOM 393 N GLY A 607 0.602 -2.828 11.977 1.00 64.10 N ATOM 394 CA GLY A 607 0.659 -3.905 11.071 1.00 65.11 C ATOM 395 C GLY A 607 0.357 -5.191 11.731 1.00 14.03 C ATOM 396 O GLY A 607 0.542 -5.338 12.946 1.00 64.42 O ATOM 0 H GLY A 607 1.389 -2.750 12.621 1.00 64.10 H new ATOM 0 HA2 GLY A 607 -0.050 -3.737 10.261 1.00 65.11 H new ATOM 0 HA3 GLY A 607 1.651 -3.951 10.622 1.00 65.11 H new ATOM 400 N ASN A 608 -0.128 -6.112 10.955 1.00 30.20 N ATOM 401 CA ASN A 608 -0.406 -7.433 11.425 1.00 13.40 C ATOM 402 C ASN A 608 0.346 -8.432 10.610 1.00 64.12 C ATOM 403 O ASN A 608 0.322 -8.411 9.360 1.00 22.53 O ATOM 404 CB ASN A 608 -1.912 -7.751 11.495 1.00 62.12 C ATOM 405 CG ASN A 608 -2.628 -7.082 12.674 1.00 41.41 C ATOM 406 OD1 ASN A 608 -3.806 -6.707 12.585 1.00 41.53 O ATOM 407 ND2 ASN A 608 -1.948 -6.970 13.789 1.00 11.11 N ATOM 0 H ASN A 608 -0.344 -5.965 9.969 1.00 30.20 H new ATOM 0 HA ASN A 608 -0.059 -7.493 12.457 1.00 13.40 H new ATOM 0 HB2 ASN A 608 -2.385 -7.433 10.566 1.00 62.12 H new ATOM 0 HB3 ASN A 608 -2.044 -8.831 11.566 1.00 62.12 H new ATOM 0 HD21 ASN A 608 -2.387 -6.565 14.616 1.00 11.11 H new ATOM 0 HD22 ASN A 608 -0.980 -7.288 13.830 1.00 11.11 H new ATOM 414 N ARG A 609 1.037 -9.271 11.283 1.00 10.41 N ATOM 415 CA ARG A 609 1.853 -10.245 10.670 1.00 12.13 C ATOM 416 C ARG A 609 1.508 -11.571 11.288 1.00 54.31 C ATOM 417 O ARG A 609 1.522 -11.713 12.513 1.00 14.52 O ATOM 418 CB ARG A 609 3.316 -9.901 10.927 1.00 0.54 C ATOM 419 CG ARG A 609 4.306 -10.658 10.074 1.00 1.11 C ATOM 420 CD ARG A 609 5.734 -10.297 10.450 1.00 13.43 C ATOM 421 NE ARG A 609 6.118 -10.858 11.752 1.00 71.35 N ATOM 422 CZ ARG A 609 6.891 -10.262 12.671 1.00 71.43 C ATOM 423 NH1 ARG A 609 7.188 -8.968 12.588 1.00 41.01 N ATOM 424 NH2 ARG A 609 7.321 -10.967 13.708 1.00 31.00 N ATOM 0 H ARG A 609 1.051 -9.300 12.302 1.00 10.41 H new ATOM 0 HA ARG A 609 1.692 -10.281 9.593 1.00 12.13 H new ATOM 0 HB2 ARG A 609 3.458 -8.833 10.761 1.00 0.54 H new ATOM 0 HB3 ARG A 609 3.541 -10.093 11.976 1.00 0.54 H new ATOM 0 HG2 ARG A 609 4.153 -11.730 10.197 1.00 1.11 H new ATOM 0 HG3 ARG A 609 4.134 -10.431 9.022 1.00 1.11 H new ATOM 0 HD2 ARG A 609 6.415 -10.664 9.682 1.00 13.43 H new ATOM 0 HD3 ARG A 609 5.839 -9.212 10.477 1.00 13.43 H new ATOM 0 HE ARG A 609 5.764 -11.787 11.978 1.00 71.35 H new ATOM 0 HH11 ARG A 609 6.826 -8.410 11.815 1.00 41.01 H new ATOM 0 HH12 ARG A 609 7.778 -8.534 13.298 1.00 41.01 H new ATOM 0 HH21 ARG A 609 7.063 -11.950 13.799 1.00 31.00 H new ATOM 0 HH22 ARG A 609 7.910 -10.527 14.415 1.00 31.00 H new ATOM 438 N SER A 610 1.180 -12.513 10.475 1.00 51.32 N ATOM 439 CA SER A 610 0.822 -13.796 10.938 1.00 12.44 C ATOM 440 C SER A 610 2.079 -14.588 11.216 1.00 30.43 C ATOM 441 O SER A 610 2.760 -15.036 10.306 1.00 2.31 O ATOM 442 CB SER A 610 -0.034 -14.484 9.905 1.00 71.42 C ATOM 443 OG SER A 610 -1.142 -13.680 9.574 1.00 71.21 O ATOM 0 H SER A 610 1.154 -12.408 9.461 1.00 51.32 H new ATOM 0 HA SER A 610 0.246 -13.718 11.860 1.00 12.44 H new ATOM 0 HB2 SER A 610 0.556 -14.688 9.011 1.00 71.42 H new ATOM 0 HB3 SER A 610 -0.375 -15.446 10.288 1.00 71.42 H new ATOM 0 HG SER A 610 -1.937 -14.244 9.472 1.00 71.21 H new ATOM 518 N ALA A 615 3.420 -15.157 7.185 1.00 50.33 N ATOM 519 CA ALA A 615 3.157 -14.163 6.165 1.00 10.32 C ATOM 520 C ALA A 615 2.574 -12.936 6.827 1.00 63.50 C ATOM 521 O ALA A 615 2.152 -13.002 7.977 1.00 64.13 O ATOM 522 CB ALA A 615 2.203 -14.709 5.124 1.00 51.23 C ATOM 0 HA ALA A 615 4.086 -13.901 5.659 1.00 10.32 H new ATOM 0 HB1 ALA A 615 2.017 -13.948 4.366 1.00 51.23 H new ATOM 0 HB2 ALA A 615 2.642 -15.589 4.655 1.00 51.23 H new ATOM 0 HB3 ALA A 615 1.262 -14.983 5.601 1.00 51.23 H new ATOM 528 N ASP A 616 2.545 -11.825 6.137 1.00 42.52 N ATOM 529 CA ASP A 616 2.014 -10.619 6.708 1.00 65.34 C ATOM 530 C ASP A 616 0.608 -10.466 6.228 1.00 2.32 C ATOM 531 O ASP A 616 0.264 -10.935 5.136 1.00 31.23 O ATOM 532 CB ASP A 616 2.800 -9.372 6.256 1.00 35.12 C ATOM 533 CG ASP A 616 4.300 -9.471 6.433 1.00 2.14 C ATOM 534 OD1 ASP A 616 4.962 -10.150 5.598 1.00 5.31 O ATOM 535 OD2 ASP A 616 4.846 -8.871 7.380 1.00 45.44 O ATOM 0 H ASP A 616 2.883 -11.733 5.179 1.00 42.52 H new ATOM 0 HA ASP A 616 2.080 -10.696 7.793 1.00 65.34 H new ATOM 0 HB2 ASP A 616 2.584 -9.184 5.204 1.00 35.12 H new ATOM 0 HB3 ASP A 616 2.438 -8.509 6.815 1.00 35.12 H new ATOM 540 N LEU A 617 -0.208 -9.836 7.013 1.00 64.13 N ATOM 541 CA LEU A 617 -1.558 -9.546 6.603 1.00 31.44 C ATOM 542 C LEU A 617 -1.569 -8.194 5.929 1.00 74.22 C ATOM 543 O LEU A 617 -2.412 -7.904 5.096 1.00 63.04 O ATOM 544 CB LEU A 617 -2.503 -9.542 7.810 1.00 5.45 C ATOM 545 CG LEU A 617 -2.627 -10.855 8.584 1.00 21.33 C ATOM 546 CD1 LEU A 617 -3.613 -10.705 9.733 1.00 54.53 C ATOM 547 CD2 LEU A 617 -3.058 -11.983 7.658 1.00 71.41 C ATOM 0 H LEU A 617 0.033 -9.508 7.948 1.00 64.13 H new ATOM 0 HA LEU A 617 -1.904 -10.315 5.912 1.00 31.44 H new ATOM 0 HB2 LEU A 617 -2.170 -8.768 8.502 1.00 5.45 H new ATOM 0 HB3 LEU A 617 -3.496 -9.254 7.465 1.00 5.45 H new ATOM 0 HG LEU A 617 -1.649 -11.103 8.997 1.00 21.33 H new ATOM 0 HD11 LEU A 617 -3.689 -11.649 10.273 1.00 54.53 H new ATOM 0 HD12 LEU A 617 -3.265 -9.926 10.411 1.00 54.53 H new ATOM 0 HD13 LEU A 617 -4.592 -10.433 9.339 1.00 54.53 H new ATOM 0 HD21 LEU A 617 -3.141 -12.909 8.227 1.00 71.41 H new ATOM 0 HD22 LEU A 617 -4.024 -11.741 7.215 1.00 71.41 H new ATOM 0 HD23 LEU A 617 -2.318 -12.108 6.867 1.00 71.41 H new ATOM 559 N GLY A 618 -0.577 -7.404 6.266 1.00 12.31 N ATOM 560 CA GLY A 618 -0.487 -6.059 5.770 1.00 60.34 C ATOM 561 C GLY A 618 -0.557 -5.062 6.902 1.00 61.44 C ATOM 562 O GLY A 618 -0.315 -5.416 8.068 1.00 44.43 O ATOM 0 H GLY A 618 0.184 -7.677 6.888 1.00 12.31 H new ATOM 0 HA2 GLY A 618 0.447 -5.930 5.224 1.00 60.34 H new ATOM 0 HA3 GLY A 618 -1.297 -5.872 5.065 1.00 60.34 H new ATOM 566 N ILE A 619 -0.890 -3.834 6.584 1.00 25.02 N ATOM 567 CA ILE A 619 -0.978 -2.784 7.582 1.00 1.44 C ATOM 568 C ILE A 619 -2.453 -2.403 7.763 1.00 72.22 C ATOM 569 O ILE A 619 -3.178 -2.286 6.783 1.00 12.43 O ATOM 570 CB ILE A 619 -0.149 -1.529 7.147 1.00 14.51 C ATOM 571 CG1 ILE A 619 1.340 -1.888 6.875 1.00 3.40 C ATOM 572 CG2 ILE A 619 -0.250 -0.419 8.182 1.00 64.11 C ATOM 573 CD1 ILE A 619 2.112 -2.473 8.064 1.00 53.35 C ATOM 0 H ILE A 619 -1.107 -3.531 5.634 1.00 25.02 H new ATOM 0 HA ILE A 619 -0.565 -3.147 8.524 1.00 1.44 H new ATOM 0 HB ILE A 619 -0.580 -1.168 6.213 1.00 14.51 H new ATOM 0 HG12 ILE A 619 1.378 -2.604 6.054 1.00 3.40 H new ATOM 0 HG13 ILE A 619 1.856 -0.989 6.538 1.00 3.40 H new ATOM 0 HG21 ILE A 619 0.336 0.440 7.853 1.00 64.11 H new ATOM 0 HG22 ILE A 619 -1.293 -0.124 8.298 1.00 64.11 H new ATOM 0 HG23 ILE A 619 0.135 -0.776 9.137 1.00 64.11 H new ATOM 0 HD11 ILE A 619 3.138 -2.686 7.763 1.00 53.35 H new ATOM 0 HD12 ILE A 619 2.117 -1.755 8.884 1.00 53.35 H new ATOM 0 HD13 ILE A 619 1.631 -3.395 8.392 1.00 53.35 H new ATOM 585 N PHE A 620 -2.888 -2.229 8.992 1.00 54.50 N ATOM 586 CA PHE A 620 -4.279 -1.923 9.283 1.00 42.53 C ATOM 587 C PHE A 620 -4.413 -0.658 10.113 1.00 61.42 C ATOM 588 O PHE A 620 -3.558 -0.356 10.950 1.00 42.42 O ATOM 589 CB PHE A 620 -4.945 -3.066 10.061 1.00 1.23 C ATOM 590 CG PHE A 620 -5.033 -4.379 9.351 1.00 35.54 C ATOM 591 CD1 PHE A 620 -3.989 -5.286 9.413 1.00 22.44 C ATOM 592 CD2 PHE A 620 -6.173 -4.720 8.639 1.00 41.45 C ATOM 593 CE1 PHE A 620 -4.080 -6.505 8.772 1.00 31.45 C ATOM 594 CE2 PHE A 620 -6.267 -5.939 8.003 1.00 3.24 C ATOM 595 CZ PHE A 620 -5.219 -6.830 8.070 1.00 32.53 C ATOM 0 H PHE A 620 -2.293 -2.295 9.818 1.00 54.50 H new ATOM 0 HA PHE A 620 -4.770 -1.785 8.320 1.00 42.53 H new ATOM 0 HB2 PHE A 620 -4.396 -3.214 10.991 1.00 1.23 H new ATOM 0 HB3 PHE A 620 -5.953 -2.754 10.333 1.00 1.23 H new ATOM 0 HD1 PHE A 620 -3.096 -5.038 9.967 1.00 22.44 H new ATOM 0 HD2 PHE A 620 -6.996 -4.023 8.582 1.00 41.45 H new ATOM 0 HE1 PHE A 620 -3.258 -7.204 8.821 1.00 31.45 H new ATOM 0 HE2 PHE A 620 -7.161 -6.195 7.453 1.00 3.24 H new ATOM 0 HZ PHE A 620 -5.291 -7.785 7.571 1.00 32.53 H new ATOM 605 N VAL A 621 -5.475 0.077 9.871 1.00 41.05 N ATOM 606 CA VAL A 621 -5.823 1.230 10.684 1.00 24.14 C ATOM 607 C VAL A 621 -6.252 0.760 12.058 1.00 73.21 C ATOM 608 O VAL A 621 -6.921 -0.259 12.196 1.00 62.21 O ATOM 609 CB VAL A 621 -6.960 2.077 10.049 1.00 12.22 C ATOM 610 CG1 VAL A 621 -7.342 3.244 10.946 1.00 11.51 C ATOM 611 CG2 VAL A 621 -6.545 2.590 8.694 1.00 32.24 C ATOM 0 H VAL A 621 -6.125 -0.104 9.106 1.00 41.05 H new ATOM 0 HA VAL A 621 -4.940 1.866 10.753 1.00 24.14 H new ATOM 0 HB VAL A 621 -7.830 1.430 9.934 1.00 12.22 H new ATOM 0 HG11 VAL A 621 -8.140 3.819 10.475 1.00 11.51 H new ATOM 0 HG12 VAL A 621 -7.686 2.866 11.908 1.00 11.51 H new ATOM 0 HG13 VAL A 621 -6.474 3.885 11.098 1.00 11.51 H new ATOM 0 HG21 VAL A 621 -7.354 3.181 8.265 1.00 32.24 H new ATOM 0 HG22 VAL A 621 -5.656 3.213 8.797 1.00 32.24 H new ATOM 0 HG23 VAL A 621 -6.324 1.748 8.038 1.00 32.24 H new ATOM 621 N LYS A 622 -5.838 1.465 13.050 1.00 42.44 N ATOM 622 CA LYS A 622 -6.175 1.139 14.415 1.00 21.25 C ATOM 623 C LYS A 622 -6.922 2.271 15.107 1.00 1.41 C ATOM 624 O LYS A 622 -7.822 2.035 15.900 1.00 34.34 O ATOM 625 CB LYS A 622 -4.915 0.805 15.177 1.00 15.12 C ATOM 626 CG LYS A 622 -3.798 1.799 14.913 1.00 60.12 C ATOM 627 CD LYS A 622 -2.648 1.614 15.827 1.00 31.41 C ATOM 628 CE LYS A 622 -3.042 2.071 17.240 1.00 42.21 C ATOM 629 NZ LYS A 622 -2.091 1.674 18.283 1.00 5.21 N ATOM 0 H LYS A 622 -5.251 2.293 12.950 1.00 42.44 H new ATOM 0 HA LYS A 622 -6.841 0.276 14.400 1.00 21.25 H new ATOM 0 HB2 LYS A 622 -5.134 0.784 16.245 1.00 15.12 H new ATOM 0 HB3 LYS A 622 -4.581 -0.195 14.900 1.00 15.12 H new ATOM 0 HG2 LYS A 622 -3.459 1.695 13.882 1.00 60.12 H new ATOM 0 HG3 LYS A 622 -4.185 2.812 15.021 1.00 60.12 H new ATOM 0 HD2 LYS A 622 -2.346 0.567 15.842 1.00 31.41 H new ATOM 0 HD3 LYS A 622 -1.792 2.188 15.473 1.00 31.41 H new ATOM 0 HE2 LYS A 622 -3.139 3.157 17.246 1.00 42.21 H new ATOM 0 HE3 LYS A 622 -4.023 1.662 17.483 1.00 42.21 H new ATOM 0 HZ1 LYS A 622 -2.442 1.988 19.210 1.00 5.21 H new ATOM 0 HZ2 LYS A 622 -1.989 0.639 18.284 1.00 5.21 H new ATOM 0 HZ3 LYS A 622 -1.167 2.113 18.096 1.00 5.21 H new ATOM 643 N SER A 623 -6.546 3.481 14.810 1.00 13.03 N ATOM 644 CA SER A 623 -7.150 4.623 15.427 1.00 3.04 C ATOM 645 C SER A 623 -7.135 5.768 14.447 1.00 41.41 C ATOM 646 O SER A 623 -6.142 5.972 13.736 1.00 74.41 O ATOM 647 CB SER A 623 -6.396 4.994 16.721 1.00 21.33 C ATOM 648 OG SER A 623 -7.000 6.088 17.387 1.00 14.14 O ATOM 0 H SER A 623 -5.814 3.702 14.135 1.00 13.03 H new ATOM 0 HA SER A 623 -8.181 4.396 15.699 1.00 3.04 H new ATOM 0 HB2 SER A 623 -6.372 4.132 17.387 1.00 21.33 H new ATOM 0 HB3 SER A 623 -5.362 5.241 16.481 1.00 21.33 H new ATOM 0 HG SER A 623 -6.496 6.293 18.202 1.00 14.14 H new ATOM 654 N ILE A 624 -8.221 6.475 14.368 1.00 73.31 N ATOM 655 CA ILE A 624 -8.328 7.597 13.498 1.00 14.43 C ATOM 656 C ILE A 624 -8.133 8.856 14.297 1.00 32.15 C ATOM 657 O ILE A 624 -8.779 9.054 15.327 1.00 23.32 O ATOM 658 CB ILE A 624 -9.699 7.641 12.734 1.00 45.13 C ATOM 659 CG1 ILE A 624 -9.847 6.453 11.757 1.00 4.05 C ATOM 660 CG2 ILE A 624 -9.865 8.955 11.978 1.00 2.03 C ATOM 661 CD1 ILE A 624 -9.952 5.082 12.381 1.00 23.43 C ATOM 0 H ILE A 624 -9.063 6.285 14.912 1.00 73.31 H new ATOM 0 HA ILE A 624 -7.553 7.507 12.737 1.00 14.43 H new ATOM 0 HB ILE A 624 -10.484 7.565 13.487 1.00 45.13 H new ATOM 0 HG12 ILE A 624 -10.735 6.620 11.147 1.00 4.05 H new ATOM 0 HG13 ILE A 624 -8.991 6.457 11.082 1.00 4.05 H new ATOM 0 HG21 ILE A 624 -10.823 8.957 11.458 1.00 2.03 H new ATOM 0 HG22 ILE A 624 -9.832 9.786 12.682 1.00 2.03 H new ATOM 0 HG23 ILE A 624 -9.059 9.062 11.252 1.00 2.03 H new ATOM 0 HD11 ILE A 624 -10.052 4.332 11.597 1.00 23.43 H new ATOM 0 HD12 ILE A 624 -9.055 4.879 12.966 1.00 23.43 H new ATOM 0 HD13 ILE A 624 -10.825 5.044 13.032 1.00 23.43 H new ATOM 673 N ILE A 625 -7.239 9.679 13.850 1.00 51.43 N ATOM 674 CA ILE A 625 -6.970 10.930 14.520 1.00 34.21 C ATOM 675 C ILE A 625 -7.902 11.974 13.940 1.00 72.33 C ATOM 676 O ILE A 625 -7.891 12.210 12.745 1.00 32.20 O ATOM 677 CB ILE A 625 -5.471 11.370 14.366 1.00 34.01 C ATOM 678 CG1 ILE A 625 -4.548 10.304 14.983 1.00 60.04 C ATOM 679 CG2 ILE A 625 -5.230 12.730 15.019 1.00 22.15 C ATOM 680 CD1 ILE A 625 -3.071 10.605 14.828 1.00 31.34 C ATOM 0 H ILE A 625 -6.674 9.513 13.017 1.00 51.43 H new ATOM 0 HA ILE A 625 -7.144 10.813 15.590 1.00 34.21 H new ATOM 0 HB ILE A 625 -5.245 11.465 13.304 1.00 34.01 H new ATOM 0 HG12 ILE A 625 -4.779 10.207 16.044 1.00 60.04 H new ATOM 0 HG13 ILE A 625 -4.763 9.340 14.521 1.00 60.04 H new ATOM 0 HG21 ILE A 625 -4.184 13.011 14.898 1.00 22.15 H new ATOM 0 HG22 ILE A 625 -5.864 13.479 14.545 1.00 22.15 H new ATOM 0 HG23 ILE A 625 -5.470 12.671 16.081 1.00 22.15 H new ATOM 0 HD11 ILE A 625 -2.487 9.808 15.288 1.00 31.34 H new ATOM 0 HD12 ILE A 625 -2.822 10.672 13.769 1.00 31.34 H new ATOM 0 HD13 ILE A 625 -2.840 11.552 15.315 1.00 31.34 H new ATOM 692 N ASN A 626 -8.719 12.589 14.789 1.00 3.02 N ATOM 693 CA ASN A 626 -9.734 13.582 14.343 1.00 51.04 C ATOM 694 C ASN A 626 -9.111 14.760 13.598 1.00 62.03 C ATOM 695 O ASN A 626 -9.773 15.433 12.812 1.00 65.50 O ATOM 696 CB ASN A 626 -10.580 14.102 15.525 1.00 13.22 C ATOM 697 CG ASN A 626 -9.761 14.820 16.591 1.00 71.42 C ATOM 698 OD1 ASN A 626 -9.268 14.195 17.518 1.00 13.14 O ATOM 699 ND2 ASN A 626 -9.618 16.126 16.472 1.00 31.24 N ATOM 0 H ASN A 626 -8.711 12.428 15.796 1.00 3.02 H new ATOM 0 HA ASN A 626 -10.386 13.051 13.649 1.00 51.04 H new ATOM 0 HB2 ASN A 626 -11.342 14.782 15.144 1.00 13.22 H new ATOM 0 HB3 ASN A 626 -11.103 13.263 15.984 1.00 13.22 H new ATOM 0 HD21 ASN A 626 -9.082 16.646 17.167 1.00 31.24 H new ATOM 0 HD22 ASN A 626 -10.043 16.616 15.685 1.00 31.24 H new ATOM 706 N GLY A 627 -7.850 14.970 13.824 1.00 54.20 N ATOM 707 CA GLY A 627 -7.157 16.060 13.214 1.00 71.34 C ATOM 708 C GLY A 627 -6.420 15.630 11.984 1.00 31.23 C ATOM 709 O GLY A 627 -5.187 15.600 11.964 1.00 43.03 O ATOM 0 H GLY A 627 -7.275 14.391 14.436 1.00 54.20 H new ATOM 0 HA2 GLY A 627 -7.868 16.845 12.956 1.00 71.34 H new ATOM 0 HA3 GLY A 627 -6.454 16.489 13.928 1.00 71.34 H new ATOM 713 N GLY A 628 -7.158 15.259 10.976 1.00 4.23 N ATOM 714 CA GLY A 628 -6.554 14.887 9.749 1.00 62.31 C ATOM 715 C GLY A 628 -7.507 14.991 8.598 1.00 41.31 C ATOM 716 O GLY A 628 -8.699 14.684 8.741 1.00 2.23 O ATOM 0 H GLY A 628 -8.177 15.209 10.989 1.00 4.23 H new ATOM 0 HA2 GLY A 628 -5.690 15.525 9.563 1.00 62.31 H new ATOM 0 HA3 GLY A 628 -6.185 13.864 9.822 1.00 62.31 H new ATOM 720 N ALA A 629 -7.001 15.415 7.454 1.00 41.34 N ATOM 721 CA ALA A 629 -7.806 15.539 6.251 1.00 4.51 C ATOM 722 C ALA A 629 -8.285 14.176 5.786 1.00 64.12 C ATOM 723 O ALA A 629 -9.357 14.049 5.202 1.00 23.22 O ATOM 724 CB ALA A 629 -7.034 16.263 5.158 1.00 53.50 C ATOM 0 H ALA A 629 -6.024 15.682 7.332 1.00 41.34 H new ATOM 0 HA ALA A 629 -8.686 16.138 6.483 1.00 4.51 H new ATOM 0 HB1 ALA A 629 -7.656 16.345 4.266 1.00 53.50 H new ATOM 0 HB2 ALA A 629 -6.763 17.260 5.504 1.00 53.50 H new ATOM 0 HB3 ALA A 629 -6.130 15.703 4.920 1.00 53.50 H new ATOM 730 N ALA A 630 -7.492 13.150 6.074 1.00 4.22 N ATOM 731 CA ALA A 630 -7.846 11.781 5.730 1.00 34.42 C ATOM 732 C ALA A 630 -9.044 11.363 6.515 1.00 41.31 C ATOM 733 O ALA A 630 -9.978 10.760 5.991 1.00 71.12 O ATOM 734 CB ALA A 630 -6.681 10.845 6.021 1.00 1.52 C ATOM 0 H ALA A 630 -6.594 13.244 6.548 1.00 4.22 H new ATOM 0 HA ALA A 630 -8.075 11.730 4.666 1.00 34.42 H new ATOM 0 HB1 ALA A 630 -6.960 9.824 5.759 1.00 1.52 H new ATOM 0 HB2 ALA A 630 -5.815 11.147 5.432 1.00 1.52 H new ATOM 0 HB3 ALA A 630 -6.432 10.892 7.081 1.00 1.52 H new ATOM 740 N SER A 631 -9.014 11.737 7.743 1.00 30.13 N ATOM 741 CA SER A 631 -10.027 11.418 8.702 1.00 41.00 C ATOM 742 C SER A 631 -11.341 12.124 8.357 1.00 3.11 C ATOM 743 O SER A 631 -12.417 11.536 8.431 1.00 20.25 O ATOM 744 CB SER A 631 -9.511 11.853 10.064 1.00 33.01 C ATOM 745 OG SER A 631 -8.211 11.318 10.256 1.00 73.02 O ATOM 0 H SER A 631 -8.255 12.297 8.130 1.00 30.13 H new ATOM 0 HA SER A 631 -10.236 10.348 8.701 1.00 41.00 H new ATOM 0 HB2 SER A 631 -9.484 12.941 10.127 1.00 33.01 H new ATOM 0 HB3 SER A 631 -10.182 11.505 10.850 1.00 33.01 H new ATOM 0 HG SER A 631 -7.810 11.712 11.059 1.00 73.02 H new ATOM 751 N LYS A 632 -11.240 13.380 7.978 1.00 3.31 N ATOM 752 CA LYS A 632 -12.408 14.168 7.634 1.00 64.30 C ATOM 753 C LYS A 632 -12.981 13.795 6.258 1.00 62.32 C ATOM 754 O LYS A 632 -14.173 13.515 6.137 1.00 12.14 O ATOM 755 CB LYS A 632 -12.061 15.662 7.669 1.00 71.15 C ATOM 756 CG LYS A 632 -11.613 16.177 9.032 1.00 43.11 C ATOM 757 CD LYS A 632 -12.741 16.149 10.052 1.00 64.45 C ATOM 758 CE LYS A 632 -12.261 16.596 11.431 1.00 63.31 C ATOM 759 NZ LYS A 632 -11.649 17.948 11.420 1.00 3.22 N ATOM 0 H LYS A 632 -10.355 13.882 7.899 1.00 3.31 H new ATOM 0 HA LYS A 632 -13.176 13.949 8.375 1.00 64.30 H new ATOM 0 HB2 LYS A 632 -11.270 15.855 6.944 1.00 71.15 H new ATOM 0 HB3 LYS A 632 -12.933 16.232 7.348 1.00 71.15 H new ATOM 0 HG2 LYS A 632 -10.783 15.570 9.393 1.00 43.11 H new ATOM 0 HG3 LYS A 632 -11.242 17.197 8.930 1.00 43.11 H new ATOM 0 HD2 LYS A 632 -13.550 16.799 9.719 1.00 64.45 H new ATOM 0 HD3 LYS A 632 -13.149 15.140 10.117 1.00 64.45 H new ATOM 0 HE2 LYS A 632 -13.103 16.590 12.123 1.00 63.31 H new ATOM 0 HE3 LYS A 632 -11.534 15.877 11.808 1.00 63.31 H new ATOM 0 HZ1 LYS A 632 -11.497 18.268 12.398 1.00 3.22 H new ATOM 0 HZ2 LYS A 632 -10.737 17.912 10.922 1.00 3.22 H new ATOM 0 HZ3 LYS A 632 -12.284 18.612 10.933 1.00 3.22 H new ATOM 773 N ASP A 633 -12.136 13.776 5.234 1.00 51.34 N ATOM 774 CA ASP A 633 -12.623 13.554 3.864 1.00 55.10 C ATOM 775 C ASP A 633 -12.908 12.090 3.558 1.00 4.41 C ATOM 776 O ASP A 633 -14.007 11.743 3.120 1.00 1.23 O ATOM 777 CB ASP A 633 -11.655 14.129 2.826 1.00 2.54 C ATOM 778 CG ASP A 633 -12.197 14.036 1.410 1.00 45.12 C ATOM 779 OD1 ASP A 633 -12.868 14.990 0.961 1.00 40.34 O ATOM 780 OD2 ASP A 633 -11.952 13.027 0.714 1.00 63.32 O ATOM 0 H ASP A 633 -11.128 13.908 5.315 1.00 51.34 H new ATOM 0 HA ASP A 633 -13.572 14.086 3.800 1.00 55.10 H new ATOM 0 HB2 ASP A 633 -11.449 15.172 3.065 1.00 2.54 H new ATOM 0 HB3 ASP A 633 -10.706 13.596 2.884 1.00 2.54 H new ATOM 785 N GLY A 634 -11.938 11.233 3.819 1.00 41.41 N ATOM 786 CA GLY A 634 -12.071 9.828 3.461 1.00 22.52 C ATOM 787 C GLY A 634 -12.678 8.992 4.562 1.00 4.12 C ATOM 788 O GLY A 634 -13.160 7.873 4.314 1.00 11.13 O ATOM 0 H GLY A 634 -11.058 11.479 4.272 1.00 41.41 H new ATOM 0 HA2 GLY A 634 -12.688 9.744 2.567 1.00 22.52 H new ATOM 0 HA3 GLY A 634 -11.089 9.429 3.209 1.00 22.52 H new ATOM 792 N ARG A 635 -12.675 9.547 5.766 1.00 72.03 N ATOM 793 CA ARG A 635 -13.180 8.936 6.979 1.00 55.45 C ATOM 794 C ARG A 635 -12.369 7.716 7.440 1.00 11.24 C ATOM 795 O ARG A 635 -11.818 7.727 8.544 1.00 53.32 O ATOM 796 CB ARG A 635 -14.642 8.609 6.831 1.00 2.35 C ATOM 797 CG ARG A 635 -15.308 8.131 8.088 1.00 45.31 C ATOM 798 CD ARG A 635 -16.767 7.941 7.834 1.00 71.13 C ATOM 799 NE ARG A 635 -17.362 9.170 7.303 1.00 35.15 N ATOM 800 CZ ARG A 635 -18.673 9.376 7.128 1.00 44.53 C ATOM 801 NH1 ARG A 635 -19.557 8.471 7.551 1.00 34.30 N ATOM 802 NH2 ARG A 635 -19.090 10.502 6.557 1.00 60.41 N ATOM 0 H ARG A 635 -12.301 10.482 5.927 1.00 72.03 H new ATOM 0 HA ARG A 635 -13.062 9.673 7.773 1.00 55.45 H new ATOM 0 HB2 ARG A 635 -15.165 9.496 6.474 1.00 2.35 H new ATOM 0 HB3 ARG A 635 -14.753 7.843 6.063 1.00 2.35 H new ATOM 0 HG2 ARG A 635 -14.860 7.193 8.416 1.00 45.31 H new ATOM 0 HG3 ARG A 635 -15.158 8.854 8.890 1.00 45.31 H new ATOM 0 HD2 ARG A 635 -16.915 7.124 7.128 1.00 71.13 H new ATOM 0 HD3 ARG A 635 -17.269 7.658 8.759 1.00 71.13 H new ATOM 0 HE ARG A 635 -16.728 9.927 7.047 1.00 35.15 H new ATOM 0 HH11 ARG A 635 -19.235 7.619 8.009 1.00 34.30 H new ATOM 0 HH12 ARG A 635 -20.555 8.631 7.416 1.00 34.30 H new ATOM 0 HH21 ARG A 635 -18.412 11.202 6.255 1.00 60.41 H new ATOM 0 HH22 ARG A 635 -20.088 10.666 6.421 1.00 60.41 H new ATOM 816 N LEU A 636 -12.304 6.676 6.593 1.00 41.41 N ATOM 817 CA LEU A 636 -11.637 5.397 6.921 1.00 11.34 C ATOM 818 C LEU A 636 -12.329 4.723 8.118 1.00 53.45 C ATOM 819 O LEU A 636 -13.407 5.171 8.570 1.00 55.20 O ATOM 820 CB LEU A 636 -10.129 5.612 7.210 1.00 4.20 C ATOM 821 CG LEU A 636 -9.278 6.132 6.044 1.00 65.31 C ATOM 822 CD1 LEU A 636 -7.873 6.455 6.522 1.00 60.03 C ATOM 823 CD2 LEU A 636 -9.210 5.095 4.939 1.00 72.32 C ATOM 0 H LEU A 636 -12.712 6.694 5.658 1.00 41.41 H new ATOM 0 HA LEU A 636 -11.721 4.739 6.056 1.00 11.34 H new ATOM 0 HB2 LEU A 636 -10.037 6.313 8.039 1.00 4.20 H new ATOM 0 HB3 LEU A 636 -9.707 4.665 7.545 1.00 4.20 H new ATOM 0 HG LEU A 636 -9.743 7.039 5.656 1.00 65.31 H new ATOM 0 HD11 LEU A 636 -7.280 6.823 5.685 1.00 60.03 H new ATOM 0 HD12 LEU A 636 -7.919 7.219 7.298 1.00 60.03 H new ATOM 0 HD13 LEU A 636 -7.410 5.555 6.927 1.00 60.03 H new ATOM 0 HD21 LEU A 636 -8.603 5.477 4.118 1.00 72.32 H new ATOM 0 HD22 LEU A 636 -8.762 4.180 5.326 1.00 72.32 H new ATOM 0 HD23 LEU A 636 -10.216 4.882 4.578 1.00 72.32 H new ATOM 835 N ARG A 637 -11.767 3.644 8.602 1.00 70.54 N ATOM 836 CA ARG A 637 -12.305 2.985 9.783 1.00 1.23 C ATOM 837 C ARG A 637 -11.215 2.206 10.466 1.00 1.13 C ATOM 838 O ARG A 637 -10.124 2.095 9.954 1.00 33.45 O ATOM 839 CB ARG A 637 -13.524 2.054 9.477 1.00 52.43 C ATOM 840 CG ARG A 637 -13.233 0.758 8.718 1.00 61.12 C ATOM 841 CD ARG A 637 -12.708 0.991 7.326 1.00 12.11 C ATOM 842 NE ARG A 637 -13.642 1.708 6.457 1.00 62.11 N ATOM 843 CZ ARG A 637 -13.298 2.284 5.290 1.00 3.42 C ATOM 844 NH1 ARG A 637 -12.052 2.165 4.817 1.00 44.21 N ATOM 845 NH2 ARG A 637 -14.209 2.961 4.592 1.00 2.45 N ATOM 0 H ARG A 637 -10.940 3.199 8.204 1.00 70.54 H new ATOM 0 HA ARG A 637 -12.679 3.770 10.440 1.00 1.23 H new ATOM 0 HB2 ARG A 637 -13.998 1.794 10.424 1.00 52.43 H new ATOM 0 HB3 ARG A 637 -14.252 2.627 8.903 1.00 52.43 H new ATOM 0 HG2 ARG A 637 -12.507 0.171 9.280 1.00 61.12 H new ATOM 0 HG3 ARG A 637 -14.146 0.165 8.661 1.00 61.12 H new ATOM 0 HD2 ARG A 637 -11.777 1.555 7.388 1.00 12.11 H new ATOM 0 HD3 ARG A 637 -12.468 0.029 6.872 1.00 12.11 H new ATOM 0 HE ARG A 637 -14.615 1.776 6.754 1.00 62.11 H new ATOM 0 HH11 ARG A 637 -11.356 1.635 5.341 1.00 44.21 H new ATOM 0 HH12 ARG A 637 -11.798 2.604 3.932 1.00 44.21 H new ATOM 0 HH21 ARG A 637 -15.164 3.042 4.942 1.00 2.45 H new ATOM 0 HH22 ARG A 637 -13.952 3.399 3.707 1.00 2.45 H new ATOM 859 N VAL A 638 -11.517 1.681 11.606 1.00 54.11 N ATOM 860 CA VAL A 638 -10.578 0.867 12.356 1.00 21.15 C ATOM 861 C VAL A 638 -10.564 -0.555 11.770 1.00 12.32 C ATOM 862 O VAL A 638 -11.601 -1.032 11.258 1.00 54.41 O ATOM 863 CB VAL A 638 -10.964 0.822 13.864 1.00 65.25 C ATOM 864 CG1 VAL A 638 -10.012 -0.046 14.679 1.00 45.03 C ATOM 865 CG2 VAL A 638 -11.037 2.226 14.448 1.00 61.30 C ATOM 0 H VAL A 638 -12.424 1.796 12.059 1.00 54.11 H new ATOM 0 HA VAL A 638 -9.584 1.308 12.277 1.00 21.15 H new ATOM 0 HB VAL A 638 -11.952 0.365 13.924 1.00 65.25 H new ATOM 0 HG11 VAL A 638 -10.323 -0.045 15.724 1.00 45.03 H new ATOM 0 HG12 VAL A 638 -10.031 -1.066 14.295 1.00 45.03 H new ATOM 0 HG13 VAL A 638 -9.000 0.352 14.602 1.00 45.03 H new ATOM 0 HG21 VAL A 638 -11.308 2.168 15.502 1.00 61.30 H new ATOM 0 HG22 VAL A 638 -10.066 2.712 14.349 1.00 61.30 H new ATOM 0 HG23 VAL A 638 -11.789 2.805 13.911 1.00 61.30 H new ATOM 875 N ASN A 639 -9.385 -1.204 11.821 1.00 52.02 N ATOM 876 CA ASN A 639 -9.152 -2.569 11.284 1.00 63.52 C ATOM 877 C ASN A 639 -9.307 -2.487 9.769 1.00 41.21 C ATOM 878 O ASN A 639 -9.797 -3.400 9.096 1.00 51.34 O ATOM 879 CB ASN A 639 -10.155 -3.570 11.896 1.00 22.13 C ATOM 880 CG ASN A 639 -9.753 -5.045 11.740 1.00 31.14 C ATOM 881 OD1 ASN A 639 -9.066 -5.440 10.799 1.00 25.44 O ATOM 882 ND2 ASN A 639 -10.176 -5.860 12.671 1.00 24.44 N ATOM 0 H ASN A 639 -8.552 -0.793 12.242 1.00 52.02 H new ATOM 0 HA ASN A 639 -8.155 -2.925 11.542 1.00 63.52 H new ATOM 0 HB2 ASN A 639 -10.271 -3.348 12.957 1.00 22.13 H new ATOM 0 HB3 ASN A 639 -11.129 -3.420 11.431 1.00 22.13 H new ATOM 0 HD21 ASN A 639 -9.938 -6.851 12.628 1.00 24.44 H new ATOM 0 HD22 ASN A 639 -10.744 -5.505 13.440 1.00 24.44 H new ATOM 889 N ASP A 640 -8.880 -1.374 9.248 1.00 75.24 N ATOM 890 CA ASP A 640 -8.967 -1.101 7.842 1.00 32.11 C ATOM 891 C ASP A 640 -7.670 -1.493 7.188 1.00 73.11 C ATOM 892 O ASP A 640 -6.606 -1.116 7.654 1.00 2.12 O ATOM 893 CB ASP A 640 -9.250 0.359 7.633 1.00 72.20 C ATOM 894 CG ASP A 640 -9.677 0.671 6.241 1.00 72.52 C ATOM 895 OD1 ASP A 640 -10.383 -0.160 5.644 1.00 33.11 O ATOM 896 OD2 ASP A 640 -9.441 1.778 5.785 1.00 62.45 O ATOM 0 H ASP A 640 -8.457 -0.622 9.792 1.00 75.24 H new ATOM 0 HA ASP A 640 -9.777 -1.676 7.394 1.00 32.11 H new ATOM 0 HB2 ASP A 640 -10.029 0.676 8.327 1.00 72.20 H new ATOM 0 HB3 ASP A 640 -8.356 0.935 7.872 1.00 72.20 H new ATOM 901 N GLN A 641 -7.762 -2.235 6.137 1.00 11.42 N ATOM 902 CA GLN A 641 -6.610 -2.814 5.487 1.00 63.12 C ATOM 903 C GLN A 641 -5.985 -1.861 4.481 1.00 40.33 C ATOM 904 O GLN A 641 -6.561 -1.588 3.445 1.00 64.33 O ATOM 905 CB GLN A 641 -7.045 -4.114 4.799 1.00 22.14 C ATOM 906 CG GLN A 641 -6.014 -4.778 3.900 1.00 12.30 C ATOM 907 CD GLN A 641 -4.814 -5.285 4.628 1.00 55.20 C ATOM 908 OE1 GLN A 641 -4.802 -6.412 5.073 1.00 12.11 O ATOM 909 NE2 GLN A 641 -3.791 -4.483 4.715 1.00 44.42 N ATOM 0 H GLN A 641 -8.649 -2.467 5.689 1.00 11.42 H new ATOM 0 HA GLN A 641 -5.847 -3.019 6.238 1.00 63.12 H new ATOM 0 HB2 GLN A 641 -7.337 -4.828 5.569 1.00 22.14 H new ATOM 0 HB3 GLN A 641 -7.934 -3.905 4.204 1.00 22.14 H new ATOM 0 HG2 GLN A 641 -6.486 -5.608 3.374 1.00 12.30 H new ATOM 0 HG3 GLN A 641 -5.692 -4.063 3.143 1.00 12.30 H new ATOM 0 HE21 GLN A 641 -3.846 -3.542 4.326 1.00 44.42 H new ATOM 0 HE22 GLN A 641 -2.935 -4.796 5.172 1.00 44.42 H new ATOM 918 N LEU A 642 -4.812 -1.367 4.791 1.00 22.12 N ATOM 919 CA LEU A 642 -4.082 -0.529 3.861 1.00 55.22 C ATOM 920 C LEU A 642 -3.471 -1.400 2.780 1.00 43.25 C ATOM 921 O LEU A 642 -2.696 -2.316 3.067 1.00 62.32 O ATOM 922 CB LEU A 642 -3.011 0.361 4.552 1.00 12.12 C ATOM 923 CG LEU A 642 -3.487 1.544 5.397 1.00 31.03 C ATOM 924 CD1 LEU A 642 -4.296 1.082 6.579 1.00 53.21 C ATOM 925 CD2 LEU A 642 -2.297 2.365 5.862 1.00 25.42 C ATOM 0 H LEU A 642 -4.339 -1.528 5.680 1.00 22.12 H new ATOM 0 HA LEU A 642 -4.789 0.168 3.412 1.00 55.22 H new ATOM 0 HB2 LEU A 642 -2.406 -0.282 5.191 1.00 12.12 H new ATOM 0 HB3 LEU A 642 -2.351 0.750 3.776 1.00 12.12 H new ATOM 0 HG LEU A 642 -4.130 2.167 4.775 1.00 31.03 H new ATOM 0 HD11 LEU A 642 -4.619 1.946 7.159 1.00 53.21 H new ATOM 0 HD12 LEU A 642 -5.170 0.532 6.229 1.00 53.21 H new ATOM 0 HD13 LEU A 642 -3.686 0.432 7.206 1.00 53.21 H new ATOM 0 HD21 LEU A 642 -2.647 3.205 6.463 1.00 25.42 H new ATOM 0 HD22 LEU A 642 -1.636 1.740 6.462 1.00 25.42 H new ATOM 0 HD23 LEU A 642 -1.753 2.741 4.995 1.00 25.42 H new ATOM 937 N ILE A 643 -3.853 -1.133 1.560 1.00 0.34 N ATOM 938 CA ILE A 643 -3.463 -1.928 0.409 1.00 25.43 C ATOM 939 C ILE A 643 -2.358 -1.246 -0.377 1.00 72.33 C ATOM 940 O ILE A 643 -1.255 -1.788 -0.553 1.00 63.12 O ATOM 941 CB ILE A 643 -4.693 -2.103 -0.518 1.00 40.54 C ATOM 942 CG1 ILE A 643 -5.813 -2.840 0.219 1.00 72.21 C ATOM 943 CG2 ILE A 643 -4.329 -2.805 -1.821 1.00 12.14 C ATOM 944 CD1 ILE A 643 -5.495 -4.278 0.570 1.00 33.55 C ATOM 0 H ILE A 643 -4.455 -0.344 1.326 1.00 0.34 H new ATOM 0 HA ILE A 643 -3.098 -2.893 0.762 1.00 25.43 H new ATOM 0 HB ILE A 643 -5.053 -1.110 -0.787 1.00 40.54 H new ATOM 0 HG12 ILE A 643 -6.045 -2.298 1.136 1.00 72.21 H new ATOM 0 HG13 ILE A 643 -6.711 -2.820 -0.398 1.00 72.21 H new ATOM 0 HG21 ILE A 643 -5.220 -2.907 -2.441 1.00 12.14 H new ATOM 0 HG22 ILE A 643 -3.581 -2.218 -2.354 1.00 12.14 H new ATOM 0 HG23 ILE A 643 -3.925 -3.793 -1.601 1.00 12.14 H new ATOM 0 HD11 ILE A 643 -6.344 -4.722 1.090 1.00 33.55 H new ATOM 0 HD12 ILE A 643 -5.294 -4.839 -0.342 1.00 33.55 H new ATOM 0 HD13 ILE A 643 -4.618 -4.309 1.216 1.00 33.55 H new ATOM 956 N ALA A 644 -2.656 -0.076 -0.846 1.00 23.53 N ATOM 957 CA ALA A 644 -1.745 0.668 -1.648 1.00 72.24 C ATOM 958 C ALA A 644 -1.758 2.090 -1.195 1.00 52.23 C ATOM 959 O ALA A 644 -2.829 2.656 -0.920 1.00 50.23 O ATOM 960 CB ALA A 644 -2.125 0.562 -3.119 1.00 33.44 C ATOM 0 H ALA A 644 -3.547 0.392 -0.680 1.00 23.53 H new ATOM 0 HA ALA A 644 -0.739 0.264 -1.537 1.00 72.24 H new ATOM 0 HB1 ALA A 644 -1.419 1.136 -3.719 1.00 33.44 H new ATOM 0 HB2 ALA A 644 -2.098 -0.483 -3.427 1.00 33.44 H new ATOM 0 HB3 ALA A 644 -3.130 0.957 -3.264 1.00 33.44 H new ATOM 966 N VAL A 645 -0.604 2.673 -1.101 1.00 71.03 N ATOM 967 CA VAL A 645 -0.502 4.003 -0.628 1.00 21.21 C ATOM 968 C VAL A 645 0.059 4.934 -1.670 1.00 33.34 C ATOM 969 O VAL A 645 1.112 4.698 -2.266 1.00 53.41 O ATOM 970 CB VAL A 645 0.262 4.132 0.721 1.00 74.21 C ATOM 971 CG1 VAL A 645 -0.454 3.363 1.810 1.00 13.01 C ATOM 972 CG2 VAL A 645 1.697 3.667 0.601 1.00 72.23 C ATOM 0 H VAL A 645 0.284 2.237 -1.350 1.00 71.03 H new ATOM 0 HA VAL A 645 -1.527 4.312 -0.422 1.00 21.21 H new ATOM 0 HB VAL A 645 0.281 5.189 0.988 1.00 74.21 H new ATOM 0 HG11 VAL A 645 0.094 3.464 2.747 1.00 13.01 H new ATOM 0 HG12 VAL A 645 -1.461 3.761 1.934 1.00 13.01 H new ATOM 0 HG13 VAL A 645 -0.511 2.310 1.535 1.00 13.01 H new ATOM 0 HG21 VAL A 645 2.196 3.773 1.564 1.00 72.23 H new ATOM 0 HG22 VAL A 645 1.716 2.621 0.296 1.00 72.23 H new ATOM 0 HG23 VAL A 645 2.214 4.272 -0.144 1.00 72.23 H new ATOM 982 N ASN A 646 -0.702 5.952 -1.905 1.00 4.51 N ATOM 983 CA ASN A 646 -0.400 7.075 -2.764 1.00 22.32 C ATOM 984 C ASN A 646 0.025 6.655 -4.180 1.00 54.03 C ATOM 985 O ASN A 646 0.873 7.290 -4.820 1.00 51.30 O ATOM 986 CB ASN A 646 0.608 7.956 -2.052 1.00 60.25 C ATOM 987 CG ASN A 646 0.593 9.369 -2.554 1.00 1.21 C ATOM 988 OD1 ASN A 646 -0.394 9.829 -3.152 1.00 62.14 O ATOM 989 ND2 ASN A 646 1.583 10.101 -2.202 1.00 21.33 N ATOM 0 H ASN A 646 -1.623 6.037 -1.474 1.00 4.51 H new ATOM 0 HA ASN A 646 -1.306 7.655 -2.940 1.00 22.32 H new ATOM 0 HB2 ASN A 646 0.398 7.952 -0.982 1.00 60.25 H new ATOM 0 HB3 ASN A 646 1.606 7.538 -2.182 1.00 60.25 H new ATOM 0 HD21 ASN A 646 1.579 11.099 -2.411 1.00 21.33 H new ATOM 0 HD22 ASN A 646 2.376 9.686 -1.712 1.00 21.33 H new ATOM 996 N GLY A 647 -0.637 5.614 -4.679 1.00 22.13 N ATOM 997 CA GLY A 647 -0.380 5.134 -6.024 1.00 43.10 C ATOM 998 C GLY A 647 0.570 3.946 -6.091 1.00 14.33 C ATOM 999 O GLY A 647 0.809 3.407 -7.181 1.00 74.30 O ATOM 0 H GLY A 647 -1.351 5.092 -4.171 1.00 22.13 H new ATOM 0 HA2 GLY A 647 -1.327 4.854 -6.485 1.00 43.10 H new ATOM 0 HA3 GLY A 647 0.034 5.950 -6.616 1.00 43.10 H new ATOM 1003 N GLU A 648 1.103 3.528 -4.957 1.00 45.13 N ATOM 1004 CA GLU A 648 2.049 2.432 -4.921 1.00 51.01 C ATOM 1005 C GLU A 648 1.540 1.283 -4.032 1.00 30.35 C ATOM 1006 O GLU A 648 1.043 1.515 -2.938 1.00 42.54 O ATOM 1007 CB GLU A 648 3.403 2.974 -4.466 1.00 31.01 C ATOM 1008 CG GLU A 648 4.494 1.953 -4.343 1.00 33.13 C ATOM 1009 CD GLU A 648 5.836 2.598 -4.146 1.00 61.53 C ATOM 1010 OE1 GLU A 648 6.064 3.234 -3.104 1.00 55.02 O ATOM 1011 OE2 GLU A 648 6.701 2.470 -5.042 1.00 42.44 O ATOM 0 H GLU A 648 0.894 3.935 -4.045 1.00 45.13 H new ATOM 0 HA GLU A 648 2.163 2.004 -5.917 1.00 51.01 H new ATOM 0 HB2 GLU A 648 3.724 3.741 -5.171 1.00 31.01 H new ATOM 0 HB3 GLU A 648 3.274 3.462 -3.500 1.00 31.01 H new ATOM 0 HG2 GLU A 648 4.281 1.292 -3.503 1.00 33.13 H new ATOM 0 HG3 GLU A 648 4.516 1.333 -5.239 1.00 33.13 H new ATOM 1018 N SER A 649 1.661 0.055 -4.525 1.00 1.32 N ATOM 1019 CA SER A 649 1.139 -1.133 -3.840 1.00 33.33 C ATOM 1020 C SER A 649 2.090 -1.685 -2.754 1.00 31.21 C ATOM 1021 O SER A 649 3.325 -1.631 -2.877 1.00 2.02 O ATOM 1022 CB SER A 649 0.842 -2.219 -4.864 1.00 52.33 C ATOM 1023 OG SER A 649 -0.089 -1.765 -5.836 1.00 13.12 O ATOM 0 H SER A 649 2.123 -0.150 -5.411 1.00 1.32 H new ATOM 0 HA SER A 649 0.228 -0.826 -3.327 1.00 33.33 H new ATOM 0 HB2 SER A 649 1.766 -2.522 -5.355 1.00 52.33 H new ATOM 0 HB3 SER A 649 0.445 -3.100 -4.360 1.00 52.33 H new ATOM 0 HG SER A 649 -0.262 -2.481 -6.483 1.00 13.12 H new ATOM 1029 N LEU A 650 1.499 -2.200 -1.674 1.00 24.34 N ATOM 1030 CA LEU A 650 2.254 -2.797 -0.568 1.00 73.54 C ATOM 1031 C LEU A 650 1.778 -4.219 -0.300 1.00 25.21 C ATOM 1032 O LEU A 650 2.053 -4.789 0.753 1.00 54.02 O ATOM 1033 CB LEU A 650 2.139 -1.954 0.734 1.00 32.41 C ATOM 1034 CG LEU A 650 2.872 -0.582 0.785 1.00 24.35 C ATOM 1035 CD1 LEU A 650 2.364 0.384 -0.246 1.00 3.21 C ATOM 1036 CD2 LEU A 650 2.756 0.033 2.161 1.00 3.03 C ATOM 0 H LEU A 650 0.488 -2.216 -1.541 1.00 24.34 H new ATOM 0 HA LEU A 650 3.302 -2.815 -0.869 1.00 73.54 H new ATOM 0 HB2 LEU A 650 1.081 -1.774 0.922 1.00 32.41 H new ATOM 0 HB3 LEU A 650 2.511 -2.562 1.559 1.00 32.41 H new ATOM 0 HG LEU A 650 3.920 -0.781 0.559 1.00 24.35 H new ATOM 0 HD11 LEU A 650 2.910 1.324 -0.165 1.00 3.21 H new ATOM 0 HD12 LEU A 650 2.510 -0.036 -1.241 1.00 3.21 H new ATOM 0 HD13 LEU A 650 1.302 0.567 -0.082 1.00 3.21 H new ATOM 0 HD21 LEU A 650 3.275 0.991 2.176 1.00 3.03 H new ATOM 0 HD22 LEU A 650 1.704 0.186 2.404 1.00 3.03 H new ATOM 0 HD23 LEU A 650 3.205 -0.634 2.897 1.00 3.03 H new ATOM 1048 N LEU A 651 1.123 -4.808 -1.274 1.00 14.11 N ATOM 1049 CA LEU A 651 0.579 -6.143 -1.117 1.00 65.43 C ATOM 1050 C LEU A 651 1.630 -7.216 -1.257 1.00 4.44 C ATOM 1051 O LEU A 651 2.005 -7.600 -2.374 1.00 25.44 O ATOM 1052 CB LEU A 651 -0.574 -6.408 -2.080 1.00 61.43 C ATOM 1053 CG LEU A 651 -1.846 -5.610 -1.851 1.00 64.44 C ATOM 1054 CD1 LEU A 651 -2.892 -5.998 -2.882 1.00 24.42 C ATOM 1055 CD2 LEU A 651 -2.368 -5.850 -0.437 1.00 61.24 C ATOM 0 H LEU A 651 0.952 -4.385 -2.186 1.00 14.11 H new ATOM 0 HA LEU A 651 0.192 -6.187 -0.099 1.00 65.43 H new ATOM 0 HB2 LEU A 651 -0.225 -6.209 -3.093 1.00 61.43 H new ATOM 0 HB3 LEU A 651 -0.823 -7.468 -2.031 1.00 61.43 H new ATOM 0 HG LEU A 651 -1.627 -4.548 -1.961 1.00 64.44 H new ATOM 0 HD11 LEU A 651 -3.802 -5.422 -2.712 1.00 24.42 H new ATOM 0 HD12 LEU A 651 -2.512 -5.789 -3.882 1.00 24.42 H new ATOM 0 HD13 LEU A 651 -3.114 -7.061 -2.793 1.00 24.42 H new ATOM 0 HD21 LEU A 651 -3.280 -5.273 -0.283 1.00 61.24 H new ATOM 0 HD22 LEU A 651 -2.582 -6.910 -0.303 1.00 61.24 H new ATOM 0 HD23 LEU A 651 -1.615 -5.538 0.287 1.00 61.24 H new ATOM 1067 N GLY A 652 2.136 -7.665 -0.144 1.00 64.04 N ATOM 1068 CA GLY A 652 3.072 -8.747 -0.162 1.00 22.40 C ATOM 1069 C GLY A 652 4.286 -8.478 0.665 1.00 60.43 C ATOM 1070 O GLY A 652 4.886 -9.409 1.216 1.00 71.03 O ATOM 0 H GLY A 652 1.916 -7.299 0.782 1.00 64.04 H new ATOM 0 HA2 GLY A 652 2.583 -9.650 0.203 1.00 22.40 H new ATOM 0 HA3 GLY A 652 3.375 -8.942 -1.191 1.00 22.40 H new ATOM 1074 N LYS A 653 4.663 -7.227 0.758 1.00 44.12 N ATOM 1075 CA LYS A 653 5.820 -6.854 1.537 1.00 54.41 C ATOM 1076 C LYS A 653 5.529 -6.943 3.034 1.00 14.44 C ATOM 1077 O LYS A 653 4.374 -6.845 3.460 1.00 74.12 O ATOM 1078 CB LYS A 653 6.353 -5.463 1.140 1.00 0.53 C ATOM 1079 CG LYS A 653 5.340 -4.330 1.234 1.00 50.11 C ATOM 1080 CD LYS A 653 5.978 -2.964 0.951 1.00 31.20 C ATOM 1081 CE LYS A 653 6.642 -2.873 -0.428 1.00 44.10 C ATOM 1082 NZ LYS A 653 5.690 -3.031 -1.557 1.00 14.21 N ATOM 0 H LYS A 653 4.186 -6.448 0.304 1.00 44.12 H new ATOM 0 HA LYS A 653 6.610 -7.570 1.313 1.00 54.41 H new ATOM 0 HB2 LYS A 653 7.204 -5.222 1.777 1.00 0.53 H new ATOM 0 HB3 LYS A 653 6.725 -5.512 0.117 1.00 0.53 H new ATOM 0 HG2 LYS A 653 4.532 -4.507 0.524 1.00 50.11 H new ATOM 0 HG3 LYS A 653 4.895 -4.323 2.229 1.00 50.11 H new ATOM 0 HD2 LYS A 653 5.213 -2.191 1.029 1.00 31.20 H new ATOM 0 HD3 LYS A 653 6.723 -2.754 1.719 1.00 31.20 H new ATOM 0 HE2 LYS A 653 7.143 -1.909 -0.518 1.00 44.10 H new ATOM 0 HE3 LYS A 653 7.412 -3.641 -0.503 1.00 44.10 H new ATOM 0 HZ1 LYS A 653 6.219 -3.112 -2.449 1.00 14.21 H new ATOM 0 HZ2 LYS A 653 5.120 -3.889 -1.413 1.00 14.21 H new ATOM 0 HZ3 LYS A 653 5.063 -2.203 -1.601 1.00 14.21 H new ATOM 1096 N ALA A 654 6.577 -7.150 3.812 1.00 61.44 N ATOM 1097 CA ALA A 654 6.467 -7.288 5.259 1.00 3.52 C ATOM 1098 C ALA A 654 6.013 -5.995 5.922 1.00 13.30 C ATOM 1099 O ALA A 654 6.128 -4.923 5.329 1.00 13.44 O ATOM 1100 CB ALA A 654 7.784 -7.766 5.857 1.00 4.43 C ATOM 0 H ALA A 654 7.531 -7.228 3.460 1.00 61.44 H new ATOM 0 HA ALA A 654 5.702 -8.039 5.455 1.00 3.52 H new ATOM 0 HB1 ALA A 654 7.679 -7.862 6.938 1.00 4.43 H new ATOM 0 HB2 ALA A 654 8.047 -8.734 5.430 1.00 4.43 H new ATOM 0 HB3 ALA A 654 8.569 -7.044 5.631 1.00 4.43 H new ATOM 1106 N ASN A 655 5.525 -6.106 7.166 1.00 30.52 N ATOM 1107 CA ASN A 655 5.003 -4.941 7.944 1.00 31.40 C ATOM 1108 C ASN A 655 5.976 -3.765 7.948 1.00 32.31 C ATOM 1109 O ASN A 655 5.601 -2.626 7.662 1.00 14.10 O ATOM 1110 CB ASN A 655 4.728 -5.330 9.410 1.00 54.42 C ATOM 1111 CG ASN A 655 3.524 -6.234 9.654 1.00 23.35 C ATOM 1112 OD1 ASN A 655 2.921 -6.170 10.702 1.00 71.22 O ATOM 1113 ND2 ASN A 655 3.175 -7.078 8.728 1.00 14.33 N ATOM 0 H ASN A 655 5.475 -6.992 7.670 1.00 30.52 H new ATOM 0 HA ASN A 655 4.079 -4.642 7.449 1.00 31.40 H new ATOM 0 HB2 ASN A 655 5.614 -5.827 9.804 1.00 54.42 H new ATOM 0 HB3 ASN A 655 4.592 -4.415 9.987 1.00 54.42 H new ATOM 0 HD21 ASN A 655 2.381 -7.701 8.878 1.00 14.33 H new ATOM 0 HD22 ASN A 655 3.695 -7.117 7.851 1.00 14.33 H new ATOM 1120 N GLN A 656 7.218 -4.053 8.237 1.00 11.02 N ATOM 1121 CA GLN A 656 8.259 -3.045 8.273 1.00 14.41 C ATOM 1122 C GLN A 656 8.580 -2.485 6.892 1.00 43.11 C ATOM 1123 O GLN A 656 8.814 -1.293 6.747 1.00 71.30 O ATOM 1124 CB GLN A 656 9.498 -3.591 8.944 1.00 62.13 C ATOM 1125 CG GLN A 656 9.951 -4.914 8.386 1.00 33.01 C ATOM 1126 CD GLN A 656 11.236 -5.392 9.015 1.00 52.10 C ATOM 1127 OE1 GLN A 656 12.323 -5.105 8.524 1.00 34.23 O ATOM 1128 NE2 GLN A 656 11.130 -6.103 10.107 1.00 54.13 N ATOM 0 H GLN A 656 7.543 -4.995 8.456 1.00 11.02 H new ATOM 0 HA GLN A 656 7.881 -2.210 8.863 1.00 14.41 H new ATOM 0 HB2 GLN A 656 10.306 -2.867 8.841 1.00 62.13 H new ATOM 0 HB3 GLN A 656 9.304 -3.703 10.011 1.00 62.13 H new ATOM 0 HG2 GLN A 656 9.172 -5.659 8.546 1.00 33.01 H new ATOM 0 HG3 GLN A 656 10.089 -4.823 7.309 1.00 33.01 H new ATOM 0 HE21 GLN A 656 10.209 -6.322 10.486 1.00 54.13 H new ATOM 0 HE22 GLN A 656 11.969 -6.439 10.580 1.00 54.13 H new ATOM 1137 N GLU A 657 8.580 -3.343 5.874 1.00 15.12 N ATOM 1138 CA GLU A 657 8.844 -2.902 4.496 1.00 45.22 C ATOM 1139 C GLU A 657 7.739 -1.973 4.079 1.00 0.11 C ATOM 1140 O GLU A 657 7.964 -0.958 3.398 1.00 32.35 O ATOM 1141 CB GLU A 657 8.842 -4.078 3.534 1.00 4.22 C ATOM 1142 CG GLU A 657 9.813 -5.186 3.871 1.00 14.32 C ATOM 1143 CD GLU A 657 11.250 -4.737 3.913 1.00 75.45 C ATOM 1144 OE1 GLU A 657 11.892 -4.638 2.850 1.00 53.43 O ATOM 1145 OE2 GLU A 657 11.763 -4.493 5.024 1.00 52.43 O ATOM 0 H GLU A 657 8.402 -4.343 5.971 1.00 15.12 H new ATOM 0 HA GLU A 657 9.820 -2.417 4.468 1.00 45.22 H new ATOM 0 HB2 GLU A 657 7.836 -4.496 3.499 1.00 4.22 H new ATOM 0 HB3 GLU A 657 9.069 -3.709 2.534 1.00 4.22 H new ATOM 0 HG2 GLU A 657 9.545 -5.610 4.839 1.00 14.32 H new ATOM 0 HG3 GLU A 657 9.712 -5.983 3.134 1.00 14.32 H new ATOM 1152 N ALA A 658 6.543 -2.336 4.493 1.00 32.13 N ATOM 1153 CA ALA A 658 5.371 -1.581 4.228 1.00 3.12 C ATOM 1154 C ALA A 658 5.479 -0.224 4.857 1.00 73.31 C ATOM 1155 O ALA A 658 5.258 0.754 4.202 1.00 64.22 O ATOM 1156 CB ALA A 658 4.151 -2.312 4.732 1.00 13.02 C ATOM 0 H ALA A 658 6.372 -3.184 5.033 1.00 32.13 H new ATOM 0 HA ALA A 658 5.269 -1.453 3.150 1.00 3.12 H new ATOM 0 HB1 ALA A 658 3.260 -1.721 4.522 1.00 13.02 H new ATOM 0 HB2 ALA A 658 4.073 -3.277 4.232 1.00 13.02 H new ATOM 0 HB3 ALA A 658 4.238 -2.467 5.807 1.00 13.02 H new ATOM 1162 N MET A 659 5.860 -0.173 6.126 1.00 75.35 N ATOM 1163 CA MET A 659 6.004 1.102 6.831 1.00 43.41 C ATOM 1164 C MET A 659 7.033 2.001 6.185 1.00 73.00 C ATOM 1165 O MET A 659 6.812 3.203 6.072 1.00 45.44 O ATOM 1166 CB MET A 659 6.315 0.911 8.304 1.00 71.24 C ATOM 1167 CG MET A 659 5.207 0.244 9.057 1.00 52.43 C ATOM 1168 SD MET A 659 5.597 0.003 10.781 1.00 61.11 S ATOM 1169 CE MET A 659 4.036 -0.628 11.333 1.00 60.22 C ATOM 0 H MET A 659 6.075 -0.995 6.691 1.00 75.35 H new ATOM 0 HA MET A 659 5.036 1.596 6.755 1.00 43.41 H new ATOM 0 HB2 MET A 659 7.223 0.316 8.403 1.00 71.24 H new ATOM 0 HB3 MET A 659 6.519 1.882 8.755 1.00 71.24 H new ATOM 0 HG2 MET A 659 4.302 0.846 8.974 1.00 52.43 H new ATOM 0 HG3 MET A 659 4.991 -0.721 8.599 1.00 52.43 H new ATOM 0 HE1 MET A 659 3.919 -0.428 12.398 1.00 60.22 H new ATOM 0 HE2 MET A 659 3.231 -0.141 10.782 1.00 60.22 H new ATOM 0 HE3 MET A 659 3.996 -1.703 11.159 1.00 60.22 H new ATOM 1179 N GLU A 660 8.144 1.422 5.746 1.00 11.25 N ATOM 1180 CA GLU A 660 9.181 2.191 5.062 1.00 42.34 C ATOM 1181 C GLU A 660 8.644 2.773 3.771 1.00 53.44 C ATOM 1182 O GLU A 660 8.845 3.950 3.477 1.00 40.21 O ATOM 1183 CB GLU A 660 10.412 1.335 4.772 1.00 71.05 C ATOM 1184 CG GLU A 660 11.062 0.769 6.009 1.00 23.45 C ATOM 1185 CD GLU A 660 11.424 1.837 6.996 1.00 12.43 C ATOM 1186 OE1 GLU A 660 12.465 2.491 6.816 1.00 1.45 O ATOM 1187 OE2 GLU A 660 10.681 2.027 7.974 1.00 21.40 O ATOM 0 H GLU A 660 8.351 0.429 5.850 1.00 11.25 H new ATOM 0 HA GLU A 660 9.479 3.003 5.725 1.00 42.34 H new ATOM 0 HB2 GLU A 660 10.126 0.514 4.115 1.00 71.05 H new ATOM 0 HB3 GLU A 660 11.143 1.937 4.231 1.00 71.05 H new ATOM 0 HG2 GLU A 660 10.385 0.056 6.479 1.00 23.45 H new ATOM 0 HG3 GLU A 660 11.959 0.218 5.727 1.00 23.45 H new ATOM 1194 N THR A 661 7.933 1.948 3.024 1.00 2.03 N ATOM 1195 CA THR A 661 7.345 2.368 1.775 1.00 2.33 C ATOM 1196 C THR A 661 6.264 3.408 2.059 1.00 11.12 C ATOM 1197 O THR A 661 6.192 4.443 1.417 1.00 4.21 O ATOM 1198 CB THR A 661 6.739 1.147 1.051 1.00 73.32 C ATOM 1199 OG1 THR A 661 7.776 0.168 0.827 1.00 25.24 O ATOM 1200 CG2 THR A 661 6.109 1.542 -0.280 1.00 31.54 C ATOM 0 H THR A 661 7.750 0.975 3.268 1.00 2.03 H new ATOM 0 HA THR A 661 8.108 2.809 1.134 1.00 2.33 H new ATOM 0 HB THR A 661 5.954 0.728 1.680 1.00 73.32 H new ATOM 0 HG1 THR A 661 7.944 -0.326 1.656 1.00 25.24 H new ATOM 0 HG21 THR A 661 5.692 0.658 -0.762 1.00 31.54 H new ATOM 0 HG22 THR A 661 5.315 2.268 -0.105 1.00 31.54 H new ATOM 0 HG23 THR A 661 6.869 1.983 -0.925 1.00 31.54 H new ATOM 1208 N LEU A 662 5.477 3.128 3.063 1.00 23.23 N ATOM 1209 CA LEU A 662 4.405 3.974 3.487 1.00 1.04 C ATOM 1210 C LEU A 662 4.882 5.354 3.881 1.00 44.54 C ATOM 1211 O LEU A 662 4.443 6.312 3.285 1.00 74.44 O ATOM 1212 CB LEU A 662 3.535 3.221 4.566 1.00 52.11 C ATOM 1213 CG LEU A 662 2.528 3.977 5.473 1.00 62.43 C ATOM 1214 CD1 LEU A 662 3.244 4.726 6.578 1.00 12.35 C ATOM 1215 CD2 LEU A 662 1.644 4.921 4.674 1.00 2.22 C ATOM 0 H LEU A 662 5.571 2.280 3.621 1.00 23.23 H new ATOM 0 HA LEU A 662 3.740 4.177 2.648 1.00 1.04 H new ATOM 0 HB2 LEU A 662 2.969 2.454 4.037 1.00 52.11 H new ATOM 0 HB3 LEU A 662 4.230 2.704 5.228 1.00 52.11 H new ATOM 0 HG LEU A 662 1.882 3.226 5.928 1.00 62.43 H new ATOM 0 HD11 LEU A 662 2.513 5.246 7.198 1.00 12.35 H new ATOM 0 HD12 LEU A 662 3.804 4.021 7.192 1.00 12.35 H new ATOM 0 HD13 LEU A 662 3.931 5.451 6.141 1.00 12.35 H new ATOM 0 HD21 LEU A 662 0.954 5.430 5.347 1.00 2.22 H new ATOM 0 HD22 LEU A 662 2.265 5.658 4.165 1.00 2.22 H new ATOM 0 HD23 LEU A 662 1.078 4.352 3.936 1.00 2.22 H new ATOM 1227 N ARG A 663 5.818 5.453 4.819 1.00 51.34 N ATOM 1228 CA ARG A 663 6.299 6.766 5.275 1.00 70.40 C ATOM 1229 C ARG A 663 6.874 7.551 4.129 1.00 74.53 C ATOM 1230 O ARG A 663 6.600 8.741 3.968 1.00 44.34 O ATOM 1231 CB ARG A 663 7.356 6.634 6.363 1.00 51.35 C ATOM 1232 CG ARG A 663 6.883 5.959 7.628 1.00 3.31 C ATOM 1233 CD ARG A 663 7.987 5.927 8.663 1.00 52.24 C ATOM 1234 NE ARG A 663 8.408 7.278 9.049 1.00 14.54 N ATOM 1235 CZ ARG A 663 9.460 7.560 9.828 1.00 53.21 C ATOM 1236 NH1 ARG A 663 10.221 6.579 10.315 1.00 50.02 N ATOM 1237 NH2 ARG A 663 9.756 8.825 10.109 1.00 50.45 N ATOM 0 H ARG A 663 6.258 4.655 5.277 1.00 51.34 H new ATOM 0 HA ARG A 663 5.437 7.292 5.686 1.00 70.40 H new ATOM 0 HB2 ARG A 663 8.201 6.073 5.963 1.00 51.35 H new ATOM 0 HB3 ARG A 663 7.724 7.629 6.615 1.00 51.35 H new ATOM 0 HG2 ARG A 663 6.019 6.489 8.028 1.00 3.31 H new ATOM 0 HG3 ARG A 663 6.558 4.943 7.404 1.00 3.31 H new ATOM 0 HD2 ARG A 663 7.643 5.387 9.545 1.00 52.24 H new ATOM 0 HD3 ARG A 663 8.842 5.379 8.267 1.00 52.24 H new ATOM 0 HE ARG A 663 7.858 8.062 8.698 1.00 14.54 H new ATOM 0 HH11 ARG A 663 10.003 5.607 10.095 1.00 50.02 H new ATOM 0 HH12 ARG A 663 11.021 6.801 10.908 1.00 50.02 H new ATOM 0 HH21 ARG A 663 9.182 9.579 9.731 1.00 50.45 H new ATOM 0 HH22 ARG A 663 10.557 9.042 10.702 1.00 50.45 H new ATOM 1251 N ARG A 664 7.621 6.868 3.312 1.00 45.44 N ATOM 1252 CA ARG A 664 8.292 7.474 2.213 1.00 4.44 C ATOM 1253 C ARG A 664 7.312 7.958 1.149 1.00 14.13 C ATOM 1254 O ARG A 664 7.349 9.095 0.758 1.00 63.32 O ATOM 1255 CB ARG A 664 9.279 6.489 1.628 1.00 23.32 C ATOM 1256 CG ARG A 664 10.149 7.042 0.532 1.00 15.11 C ATOM 1257 CD ARG A 664 11.135 5.991 0.078 1.00 13.53 C ATOM 1258 NE ARG A 664 11.937 5.484 1.210 1.00 3.32 N ATOM 1259 CZ ARG A 664 12.779 4.451 1.157 1.00 11.11 C ATOM 1260 NH1 ARG A 664 13.054 3.869 -0.004 1.00 73.25 N ATOM 1261 NH2 ARG A 664 13.362 4.014 2.269 1.00 11.12 N ATOM 0 H ARG A 664 7.780 5.864 3.396 1.00 45.44 H new ATOM 0 HA ARG A 664 8.826 8.353 2.574 1.00 4.44 H new ATOM 0 HB2 ARG A 664 9.919 6.119 2.429 1.00 23.32 H new ATOM 0 HB3 ARG A 664 8.729 5.633 1.238 1.00 23.32 H new ATOM 0 HG2 ARG A 664 9.532 7.361 -0.308 1.00 15.11 H new ATOM 0 HG3 ARG A 664 10.682 7.923 0.889 1.00 15.11 H new ATOM 0 HD2 ARG A 664 10.600 5.165 -0.390 1.00 13.53 H new ATOM 0 HD3 ARG A 664 11.796 6.412 -0.679 1.00 13.53 H new ATOM 0 HE ARG A 664 11.839 5.963 2.105 1.00 3.32 H new ATOM 0 HH11 ARG A 664 12.621 4.211 -0.861 1.00 73.25 H new ATOM 0 HH12 ARG A 664 13.699 3.079 -0.039 1.00 73.25 H new ATOM 0 HH21 ARG A 664 13.165 4.469 3.161 1.00 11.12 H new ATOM 0 HH22 ARG A 664 14.006 3.224 2.231 1.00 11.12 H new ATOM 1275 N SER A 665 6.414 7.120 0.728 1.00 2.14 N ATOM 1276 CA SER A 665 5.523 7.475 -0.355 1.00 21.14 C ATOM 1277 C SER A 665 4.412 8.408 0.116 1.00 71.11 C ATOM 1278 O SER A 665 3.922 9.239 -0.651 1.00 34.11 O ATOM 1279 CB SER A 665 4.956 6.219 -1.012 1.00 63.33 C ATOM 1280 OG SER A 665 6.023 5.375 -1.438 1.00 64.43 O ATOM 0 H SER A 665 6.272 6.185 1.111 1.00 2.14 H new ATOM 0 HA SER A 665 6.100 8.019 -1.103 1.00 21.14 H new ATOM 0 HB2 SER A 665 4.317 5.686 -0.308 1.00 63.33 H new ATOM 0 HB3 SER A 665 4.333 6.492 -1.864 1.00 63.33 H new ATOM 0 HG SER A 665 5.676 4.691 -2.048 1.00 64.43 H new ATOM 1286 N MET A 666 4.031 8.304 1.373 1.00 20.30 N ATOM 1287 CA MET A 666 2.978 9.161 1.879 1.00 54.04 C ATOM 1288 C MET A 666 3.504 10.580 2.113 1.00 62.10 C ATOM 1289 O MET A 666 2.755 11.555 2.030 1.00 0.33 O ATOM 1290 CB MET A 666 2.283 8.549 3.137 1.00 50.34 C ATOM 1291 CG MET A 666 3.056 8.574 4.464 1.00 3.10 C ATOM 1292 SD MET A 666 3.085 10.185 5.253 1.00 23.21 S ATOM 1293 CE MET A 666 1.327 10.447 5.447 1.00 43.13 C ATOM 0 H MET A 666 4.424 7.650 2.050 1.00 20.30 H new ATOM 0 HA MET A 666 2.199 9.232 1.120 1.00 54.04 H new ATOM 0 HB2 MET A 666 1.340 9.075 3.288 1.00 50.34 H new ATOM 0 HB3 MET A 666 2.037 7.511 2.912 1.00 50.34 H new ATOM 0 HG2 MET A 666 2.609 7.853 5.148 1.00 3.10 H new ATOM 0 HG3 MET A 666 4.081 8.249 4.283 1.00 3.10 H new ATOM 0 HE1 MET A 666 1.013 11.284 4.823 1.00 43.13 H new ATOM 0 HE2 MET A 666 0.790 9.548 5.146 1.00 43.13 H new ATOM 0 HE3 MET A 666 1.105 10.670 6.491 1.00 43.13 H new ATOM 1303 N SER A 667 4.793 10.692 2.392 1.00 74.43 N ATOM 1304 CA SER A 667 5.402 11.983 2.595 1.00 44.03 C ATOM 1305 C SER A 667 5.993 12.511 1.278 1.00 4.14 C ATOM 1306 O SER A 667 5.605 13.588 0.800 1.00 21.45 O ATOM 1307 CB SER A 667 6.488 11.895 3.671 1.00 31.35 C ATOM 1308 OG SER A 667 6.991 13.183 4.015 1.00 32.45 O ATOM 0 H SER A 667 5.431 9.901 2.482 1.00 74.43 H new ATOM 0 HA SER A 667 4.635 12.680 2.932 1.00 44.03 H new ATOM 0 HB2 SER A 667 6.082 11.413 4.560 1.00 31.35 H new ATOM 0 HB3 SER A 667 7.305 11.268 3.314 1.00 31.35 H new ATOM 0 HG SER A 667 7.681 13.091 4.705 1.00 32.45 H new ATOM 1314 N THR A 668 6.884 11.723 0.666 1.00 5.23 N ATOM 1315 CA THR A 668 7.601 12.136 -0.530 1.00 40.23 C ATOM 1316 C THR A 668 6.652 12.335 -1.705 1.00 25.11 C ATOM 1317 O THR A 668 6.586 13.429 -2.280 1.00 53.34 O ATOM 1318 CB THR A 668 8.697 11.115 -0.874 1.00 4.10 C ATOM 1319 OG1 THR A 668 9.583 10.988 0.264 1.00 54.24 O ATOM 1320 CG2 THR A 668 9.498 11.531 -2.102 1.00 64.14 C ATOM 0 H THR A 668 7.123 10.786 0.990 1.00 5.23 H new ATOM 0 HA THR A 668 8.074 13.097 -0.327 1.00 40.23 H new ATOM 0 HB THR A 668 8.221 10.162 -1.103 1.00 4.10 H new ATOM 0 HG1 THR A 668 9.229 10.314 0.881 1.00 54.24 H new ATOM 0 HG21 THR A 668 10.262 10.781 -2.309 1.00 64.14 H new ATOM 0 HG22 THR A 668 8.831 11.616 -2.960 1.00 64.14 H new ATOM 0 HG23 THR A 668 9.975 12.493 -1.916 1.00 64.14 H new ATOM 1328 N GLU A 669 5.891 11.304 -2.032 1.00 44.33 N ATOM 1329 CA GLU A 669 4.925 11.387 -3.123 1.00 44.34 C ATOM 1330 C GLU A 669 3.719 12.213 -2.697 1.00 5.44 C ATOM 1331 O GLU A 669 2.994 12.763 -3.531 1.00 54.24 O ATOM 1332 CB GLU A 669 4.478 9.997 -3.582 1.00 44.22 C ATOM 1333 CG GLU A 669 5.540 9.179 -4.278 1.00 12.32 C ATOM 1334 CD GLU A 669 5.948 9.781 -5.599 1.00 30.41 C ATOM 1335 OE1 GLU A 669 5.159 9.686 -6.573 1.00 42.30 O ATOM 1336 OE2 GLU A 669 7.063 10.333 -5.698 1.00 21.02 O ATOM 0 H GLU A 669 5.921 10.400 -1.561 1.00 44.33 H new ATOM 0 HA GLU A 669 5.414 11.876 -3.965 1.00 44.34 H new ATOM 0 HB2 GLU A 669 4.124 9.441 -2.714 1.00 44.22 H new ATOM 0 HB3 GLU A 669 3.629 10.110 -4.256 1.00 44.22 H new ATOM 0 HG2 GLU A 669 6.414 9.097 -3.632 1.00 12.32 H new ATOM 0 HG3 GLU A 669 5.168 8.167 -4.441 1.00 12.32 H new ATOM 1343 N GLY A 670 3.508 12.286 -1.386 1.00 12.43 N ATOM 1344 CA GLY A 670 2.404 13.047 -0.841 1.00 42.34 C ATOM 1345 C GLY A 670 2.547 14.505 -1.154 1.00 51.50 C ATOM 1346 O GLY A 670 1.668 15.102 -1.766 1.00 64.34 O ATOM 0 H GLY A 670 4.091 11.825 -0.687 1.00 12.43 H new ATOM 0 HA2 GLY A 670 1.465 12.675 -1.250 1.00 42.34 H new ATOM 0 HA3 GLY A 670 2.360 12.906 0.239 1.00 42.34 H new ATOM 1350 N ASN A 671 3.673 15.069 -0.775 1.00 61.21 N ATOM 1351 CA ASN A 671 3.953 16.473 -1.039 1.00 23.45 C ATOM 1352 C ASN A 671 4.238 16.693 -2.527 1.00 41.55 C ATOM 1353 O ASN A 671 3.998 17.767 -3.058 1.00 70.42 O ATOM 1354 CB ASN A 671 5.116 16.963 -0.157 1.00 2.45 C ATOM 1355 CG ASN A 671 5.485 18.420 -0.393 1.00 1.51 C ATOM 1356 OD1 ASN A 671 6.358 18.732 -1.207 1.00 60.24 O ATOM 1357 ND2 ASN A 671 4.835 19.317 0.310 1.00 11.21 N ATOM 0 H ASN A 671 4.417 14.577 -0.280 1.00 61.21 H new ATOM 0 HA ASN A 671 3.073 17.063 -0.783 1.00 23.45 H new ATOM 0 HB2 ASN A 671 4.848 16.830 0.891 1.00 2.45 H new ATOM 0 HB3 ASN A 671 5.991 16.340 -0.344 1.00 2.45 H new ATOM 0 HD21 ASN A 671 5.046 20.308 0.192 1.00 11.21 H new ATOM 0 HD22 ASN A 671 4.119 19.023 0.974 1.00 11.21 H new ATOM 1364 N LYS A 672 4.730 15.644 -3.187 1.00 34.15 N ATOM 1365 CA LYS A 672 5.006 15.651 -4.629 1.00 24.23 C ATOM 1366 C LYS A 672 3.732 16.003 -5.405 1.00 44.24 C ATOM 1367 O LYS A 672 3.708 16.947 -6.190 1.00 24.41 O ATOM 1368 CB LYS A 672 5.493 14.260 -5.047 1.00 12.21 C ATOM 1369 CG LYS A 672 5.827 14.082 -6.515 1.00 60.41 C ATOM 1370 CD LYS A 672 7.018 14.923 -6.944 1.00 72.23 C ATOM 1371 CE LYS A 672 7.376 14.650 -8.396 1.00 72.03 C ATOM 1372 NZ LYS A 672 8.532 15.450 -8.848 1.00 64.42 N ATOM 0 H LYS A 672 4.951 14.757 -2.735 1.00 34.15 H new ATOM 0 HA LYS A 672 5.771 16.396 -4.850 1.00 24.23 H new ATOM 0 HB2 LYS A 672 6.380 14.017 -4.462 1.00 12.21 H new ATOM 0 HB3 LYS A 672 4.726 13.533 -4.779 1.00 12.21 H new ATOM 0 HG2 LYS A 672 6.038 13.031 -6.712 1.00 60.41 H new ATOM 0 HG3 LYS A 672 4.960 14.351 -7.118 1.00 60.41 H new ATOM 0 HD2 LYS A 672 6.788 15.980 -6.814 1.00 72.23 H new ATOM 0 HD3 LYS A 672 7.874 14.702 -6.306 1.00 72.23 H new ATOM 0 HE2 LYS A 672 7.600 13.590 -8.520 1.00 72.03 H new ATOM 0 HE3 LYS A 672 6.515 14.870 -9.028 1.00 72.03 H new ATOM 0 HZ1 LYS A 672 8.739 15.230 -9.843 1.00 64.42 H new ATOM 0 HZ2 LYS A 672 8.311 16.462 -8.756 1.00 64.42 H new ATOM 0 HZ3 LYS A 672 9.362 15.222 -8.264 1.00 64.42 H new ATOM 1386 N ARG A 673 2.682 15.233 -5.178 1.00 2.12 N ATOM 1387 CA ARG A 673 1.401 15.468 -5.836 1.00 44.53 C ATOM 1388 C ARG A 673 0.697 16.645 -5.186 1.00 70.24 C ATOM 1389 O ARG A 673 0.094 17.483 -5.856 1.00 15.14 O ATOM 1390 CB ARG A 673 0.498 14.236 -5.710 1.00 12.14 C ATOM 1391 CG ARG A 673 1.021 12.968 -6.363 1.00 14.24 C ATOM 1392 CD ARG A 673 0.080 11.794 -6.093 1.00 14.31 C ATOM 1393 NE ARG A 673 -1.288 12.033 -6.608 1.00 65.11 N ATOM 1394 CZ ARG A 673 -2.420 11.523 -6.077 1.00 73.04 C ATOM 1395 NH1 ARG A 673 -2.374 10.807 -4.961 1.00 1.02 N ATOM 1396 NH2 ARG A 673 -3.597 11.763 -6.659 1.00 50.33 N ATOM 0 H ARG A 673 2.688 14.436 -4.541 1.00 2.12 H new ATOM 0 HA ARG A 673 1.593 15.675 -6.889 1.00 44.53 H new ATOM 0 HB2 ARG A 673 0.332 14.036 -4.651 1.00 12.14 H new ATOM 0 HB3 ARG A 673 -0.473 14.473 -6.145 1.00 12.14 H new ATOM 0 HG2 ARG A 673 1.121 13.121 -7.438 1.00 14.24 H new ATOM 0 HG3 ARG A 673 2.015 12.739 -5.980 1.00 14.24 H new ATOM 0 HD2 ARG A 673 0.486 10.894 -6.554 1.00 14.31 H new ATOM 0 HD3 ARG A 673 0.034 11.609 -5.020 1.00 14.31 H new ATOM 0 HE ARG A 673 -1.383 12.630 -7.429 1.00 65.11 H new ATOM 0 HH11 ARG A 673 -1.480 10.639 -4.499 1.00 1.02 H new ATOM 0 HH12 ARG A 673 -3.233 10.424 -4.565 1.00 1.02 H new ATOM 0 HH21 ARG A 673 -3.641 12.332 -7.505 1.00 50.33 H new ATOM 0 HH22 ARG A 673 -4.452 11.378 -6.258 1.00 50.33 H new ATOM 1410 N GLY A 674 0.796 16.703 -3.882 1.00 35.42 N ATOM 1411 CA GLY A 674 0.092 17.705 -3.105 1.00 64.10 C ATOM 1412 C GLY A 674 -1.063 17.060 -2.379 1.00 71.51 C ATOM 1413 O GLY A 674 -1.652 17.631 -1.449 1.00 10.51 O ATOM 0 H GLY A 674 1.363 16.062 -3.326 1.00 35.42 H new ATOM 0 HA2 GLY A 674 0.771 18.169 -2.390 1.00 64.10 H new ATOM 0 HA3 GLY A 674 -0.273 18.497 -3.759 1.00 64.10 H new ATOM 1417 N MET A 675 -1.369 15.855 -2.804 1.00 40.13 N ATOM 1418 CA MET A 675 -2.411 15.052 -2.233 1.00 4.03 C ATOM 1419 C MET A 675 -1.989 13.610 -2.273 1.00 62.30 C ATOM 1420 O MET A 675 -1.187 13.206 -3.118 1.00 21.04 O ATOM 1421 CB MET A 675 -3.757 15.254 -2.948 1.00 62.32 C ATOM 1422 CG MET A 675 -3.739 14.950 -4.436 1.00 51.43 C ATOM 1423 SD MET A 675 -5.284 15.398 -5.262 1.00 20.23 S ATOM 1424 CE MET A 675 -6.465 14.402 -4.367 1.00 1.32 C ATOM 0 H MET A 675 -0.883 15.400 -3.577 1.00 40.13 H new ATOM 0 HA MET A 675 -2.564 15.363 -1.200 1.00 4.03 H new ATOM 0 HB2 MET A 675 -4.505 14.620 -2.471 1.00 62.32 H new ATOM 0 HB3 MET A 675 -4.077 16.286 -2.806 1.00 62.32 H new ATOM 0 HG2 MET A 675 -2.914 15.488 -4.902 1.00 51.43 H new ATOM 0 HG3 MET A 675 -3.549 13.887 -4.583 1.00 51.43 H new ATOM 0 HE1 MET A 675 -7.145 13.923 -5.071 1.00 1.32 H new ATOM 0 HE2 MET A 675 -5.938 13.638 -3.795 1.00 1.32 H new ATOM 0 HE3 MET A 675 -7.034 15.036 -3.687 1.00 1.32 H new ATOM 1434 N ILE A 676 -2.509 12.861 -1.377 1.00 13.23 N ATOM 1435 CA ILE A 676 -2.179 11.491 -1.224 1.00 43.12 C ATOM 1436 C ILE A 676 -3.388 10.600 -1.514 1.00 12.11 C ATOM 1437 O ILE A 676 -4.514 10.975 -1.255 1.00 31.11 O ATOM 1438 CB ILE A 676 -1.608 11.229 0.197 1.00 13.23 C ATOM 1439 CG1 ILE A 676 -1.370 9.741 0.415 1.00 54.10 C ATOM 1440 CG2 ILE A 676 -2.543 11.791 1.251 1.00 14.02 C ATOM 1441 CD1 ILE A 676 -0.640 9.394 1.662 1.00 21.22 C ATOM 0 H ILE A 676 -3.201 13.193 -0.705 1.00 13.23 H new ATOM 0 HA ILE A 676 -1.407 11.237 -1.951 1.00 43.12 H new ATOM 0 HB ILE A 676 -0.648 11.737 0.286 1.00 13.23 H new ATOM 0 HG12 ILE A 676 -2.334 9.232 0.424 1.00 54.10 H new ATOM 0 HG13 ILE A 676 -0.811 9.350 -0.435 1.00 54.10 H new ATOM 0 HG21 ILE A 676 -2.131 11.600 2.242 1.00 14.02 H new ATOM 0 HG22 ILE A 676 -2.653 12.865 1.104 1.00 14.02 H new ATOM 0 HG23 ILE A 676 -3.518 11.311 1.165 1.00 14.02 H new ATOM 0 HD11 ILE A 676 -0.521 8.312 1.725 1.00 21.22 H new ATOM 0 HD12 ILE A 676 0.342 9.867 1.652 1.00 21.22 H new ATOM 0 HD13 ILE A 676 -1.205 9.748 2.525 1.00 21.22 H new ATOM 1453 N GLN A 677 -3.139 9.461 -2.095 1.00 11.14 N ATOM 1454 CA GLN A 677 -4.177 8.506 -2.406 1.00 0.51 C ATOM 1455 C GLN A 677 -4.050 7.303 -1.480 1.00 22.13 C ATOM 1456 O GLN A 677 -2.970 6.884 -1.182 1.00 42.32 O ATOM 1457 CB GLN A 677 -4.050 8.067 -3.857 1.00 11.43 C ATOM 1458 CG GLN A 677 -5.119 7.112 -4.298 1.00 41.42 C ATOM 1459 CD GLN A 677 -4.995 6.741 -5.748 1.00 35.34 C ATOM 1460 OE1 GLN A 677 -4.344 5.760 -6.099 1.00 65.30 O ATOM 1461 NE2 GLN A 677 -5.588 7.529 -6.600 1.00 35.42 N ATOM 0 H GLN A 677 -2.204 9.162 -2.371 1.00 11.14 H new ATOM 0 HA GLN A 677 -5.154 8.966 -2.262 1.00 0.51 H new ATOM 0 HB2 GLN A 677 -4.078 8.949 -4.497 1.00 11.43 H new ATOM 0 HB3 GLN A 677 -3.076 7.599 -4.001 1.00 11.43 H new ATOM 0 HG2 GLN A 677 -5.069 6.209 -3.690 1.00 41.42 H new ATOM 0 HG3 GLN A 677 -6.097 7.560 -4.123 1.00 41.42 H new ATOM 0 HE21 GLN A 677 -6.119 8.333 -6.266 1.00 35.42 H new ATOM 0 HE22 GLN A 677 -5.521 7.341 -7.600 1.00 35.42 H new ATOM 1470 N LEU A 678 -5.128 6.796 -0.994 1.00 12.34 N ATOM 1471 CA LEU A 678 -5.088 5.635 -0.136 1.00 35.01 C ATOM 1472 C LEU A 678 -6.047 4.591 -0.656 1.00 44.01 C ATOM 1473 O LEU A 678 -7.233 4.868 -0.824 1.00 33.31 O ATOM 1474 CB LEU A 678 -5.478 5.980 1.337 1.00 61.43 C ATOM 1475 CG LEU A 678 -4.619 7.008 2.119 1.00 5.13 C ATOM 1476 CD1 LEU A 678 -3.157 6.601 2.158 1.00 53.41 C ATOM 1477 CD2 LEU A 678 -4.800 8.429 1.587 1.00 62.22 C ATOM 0 H LEU A 678 -6.064 7.162 -1.171 1.00 12.34 H new ATOM 0 HA LEU A 678 -4.064 5.261 -0.141 1.00 35.01 H new ATOM 0 HB2 LEU A 678 -6.504 6.347 1.329 1.00 61.43 H new ATOM 0 HB3 LEU A 678 -5.476 5.050 1.905 1.00 61.43 H new ATOM 0 HG LEU A 678 -4.981 7.009 3.147 1.00 5.13 H new ATOM 0 HD11 LEU A 678 -2.587 7.345 2.714 1.00 53.41 H new ATOM 0 HD12 LEU A 678 -3.062 5.631 2.647 1.00 53.41 H new ATOM 0 HD13 LEU A 678 -2.771 6.534 1.141 1.00 53.41 H new ATOM 0 HD21 LEU A 678 -4.180 9.115 2.164 1.00 62.22 H new ATOM 0 HD22 LEU A 678 -4.503 8.466 0.539 1.00 62.22 H new ATOM 0 HD23 LEU A 678 -5.846 8.721 1.678 1.00 62.22 H new ATOM 1489 N ILE A 679 -5.552 3.414 -0.931 1.00 45.44 N ATOM 1490 CA ILE A 679 -6.415 2.326 -1.295 1.00 63.53 C ATOM 1491 C ILE A 679 -6.465 1.418 -0.126 1.00 15.42 C ATOM 1492 O ILE A 679 -5.438 0.851 0.279 1.00 64.24 O ATOM 1493 CB ILE A 679 -5.980 1.487 -2.562 1.00 22.42 C ATOM 1494 CG1 ILE A 679 -5.903 2.327 -3.840 1.00 25.13 C ATOM 1495 CG2 ILE A 679 -6.944 0.326 -2.785 1.00 41.41 C ATOM 1496 CD1 ILE A 679 -4.780 3.304 -3.864 1.00 3.42 C ATOM 0 H ILE A 679 -4.558 3.186 -0.910 1.00 45.44 H new ATOM 0 HA ILE A 679 -7.374 2.765 -1.570 1.00 63.53 H new ATOM 0 HB ILE A 679 -4.977 1.115 -2.352 1.00 22.42 H new ATOM 0 HG12 ILE A 679 -5.806 1.658 -4.695 1.00 25.13 H new ATOM 0 HG13 ILE A 679 -6.842 2.867 -3.963 1.00 25.13 H new ATOM 0 HG21 ILE A 679 -6.632 -0.243 -3.661 1.00 41.41 H new ATOM 0 HG22 ILE A 679 -6.940 -0.324 -1.910 1.00 41.41 H new ATOM 0 HG23 ILE A 679 -7.950 0.714 -2.944 1.00 41.41 H new ATOM 0 HD11 ILE A 679 -4.799 3.857 -4.803 1.00 3.42 H new ATOM 0 HD12 ILE A 679 -4.885 4.000 -3.031 1.00 3.42 H new ATOM 0 HD13 ILE A 679 -3.833 2.772 -3.775 1.00 3.42 H new ATOM 1508 N VAL A 680 -7.604 1.294 0.429 1.00 14.32 N ATOM 1509 CA VAL A 680 -7.785 0.467 1.562 1.00 32.24 C ATOM 1510 C VAL A 680 -8.845 -0.553 1.259 1.00 65.03 C ATOM 1511 O VAL A 680 -9.713 -0.338 0.400 1.00 50.45 O ATOM 1512 CB VAL A 680 -8.182 1.288 2.832 1.00 12.31 C ATOM 1513 CG1 VAL A 680 -7.061 2.238 3.241 1.00 61.04 C ATOM 1514 CG2 VAL A 680 -9.478 2.067 2.612 1.00 63.52 C ATOM 0 H VAL A 680 -8.450 1.767 0.110 1.00 14.32 H new ATOM 0 HA VAL A 680 -6.837 -0.024 1.779 1.00 32.24 H new ATOM 0 HB VAL A 680 -8.347 0.575 3.640 1.00 12.31 H new ATOM 0 HG11 VAL A 680 -7.363 2.797 4.127 1.00 61.04 H new ATOM 0 HG12 VAL A 680 -6.161 1.665 3.463 1.00 61.04 H new ATOM 0 HG13 VAL A 680 -6.857 2.932 2.426 1.00 61.04 H new ATOM 0 HG21 VAL A 680 -9.724 2.626 3.515 1.00 63.52 H new ATOM 0 HG22 VAL A 680 -9.350 2.759 1.780 1.00 63.52 H new ATOM 0 HG23 VAL A 680 -10.286 1.372 2.384 1.00 63.52 H new ATOM 1524 N ALA A 681 -8.757 -1.646 1.902 1.00 64.20 N ATOM 1525 CA ALA A 681 -9.707 -2.673 1.771 1.00 31.14 C ATOM 1526 C ALA A 681 -10.434 -2.751 3.071 1.00 45.32 C ATOM 1527 O ALA A 681 -9.812 -2.913 4.126 1.00 64.21 O ATOM 1528 CB ALA A 681 -9.026 -3.995 1.479 1.00 20.14 C ATOM 0 H ALA A 681 -8.001 -1.859 2.553 1.00 64.20 H new ATOM 0 HA ALA A 681 -10.389 -2.466 0.946 1.00 31.14 H new ATOM 0 HB1 ALA A 681 -9.778 -4.778 1.381 1.00 20.14 H new ATOM 0 HB2 ALA A 681 -8.461 -3.916 0.550 1.00 20.14 H new ATOM 0 HB3 ALA A 681 -8.348 -4.243 2.296 1.00 20.14 H new ATOM 1534 N ARG A 682 -11.716 -2.672 3.038 1.00 53.20 N ATOM 1535 CA ARG A 682 -12.429 -2.662 4.256 1.00 4.13 C ATOM 1536 C ARG A 682 -13.124 -3.979 4.410 1.00 12.32 C ATOM 1537 O ARG A 682 -13.777 -4.478 3.480 1.00 32.40 O ATOM 1538 CB ARG A 682 -13.361 -1.404 4.385 1.00 72.43 C ATOM 1539 CG ARG A 682 -14.596 -1.323 3.480 1.00 43.23 C ATOM 1540 CD ARG A 682 -15.734 -2.156 4.035 1.00 60.55 C ATOM 1541 NE ARG A 682 -16.927 -2.134 3.199 1.00 21.22 N ATOM 1542 CZ ARG A 682 -18.131 -2.555 3.598 1.00 45.33 C ATOM 1543 NH1 ARG A 682 -18.323 -2.922 4.865 1.00 23.32 N ATOM 1544 NH2 ARG A 682 -19.139 -2.595 2.732 1.00 5.20 N ATOM 0 H ARG A 682 -12.283 -2.614 2.192 1.00 53.20 H new ATOM 0 HA ARG A 682 -11.744 -2.555 5.097 1.00 4.13 H new ATOM 0 HB2 ARG A 682 -13.701 -1.346 5.419 1.00 72.43 H new ATOM 0 HB3 ARG A 682 -12.753 -0.519 4.199 1.00 72.43 H new ATOM 0 HG2 ARG A 682 -14.914 -0.285 3.385 1.00 43.23 H new ATOM 0 HG3 ARG A 682 -14.341 -1.671 2.479 1.00 43.23 H new ATOM 0 HD2 ARG A 682 -15.398 -3.187 4.149 1.00 60.55 H new ATOM 0 HD3 ARG A 682 -15.990 -1.792 5.030 1.00 60.55 H new ATOM 0 HE ARG A 682 -16.838 -1.774 2.249 1.00 21.22 H new ATOM 0 HH11 ARG A 682 -17.551 -2.882 5.530 1.00 23.32 H new ATOM 0 HH12 ARG A 682 -19.242 -3.243 5.169 1.00 23.32 H new ATOM 0 HH21 ARG A 682 -18.993 -2.305 1.765 1.00 5.20 H new ATOM 0 HH22 ARG A 682 -20.059 -2.916 3.034 1.00 5.20 H new ATOM 1839 N GLU B 780 4.601 -3.416 15.835 1.00 13.12 N ATOM 1840 CA GLU B 780 4.650 -2.629 14.640 1.00 22.12 C ATOM 1841 C GLU B 780 3.444 -1.709 14.476 1.00 32.52 C ATOM 1842 O GLU B 780 2.363 -2.120 14.049 1.00 10.33 O ATOM 1843 CB GLU B 780 4.923 -3.517 13.406 1.00 22.33 C ATOM 1844 CG GLU B 780 6.254 -4.274 13.526 1.00 35.31 C ATOM 1845 CD GLU B 780 6.591 -5.171 12.339 1.00 15.51 C ATOM 1846 OE1 GLU B 780 6.189 -6.357 12.342 1.00 12.23 O ATOM 1847 OE2 GLU B 780 7.289 -4.707 11.414 1.00 30.42 O ATOM 0 HA GLU B 780 5.496 -1.948 14.734 1.00 22.12 H new ATOM 0 HB2 GLU B 780 4.109 -4.232 13.286 1.00 22.33 H new ATOM 0 HB3 GLU B 780 4.938 -2.897 12.509 1.00 22.33 H new ATOM 0 HG2 GLU B 780 7.058 -3.549 13.655 1.00 35.31 H new ATOM 0 HG3 GLU B 780 6.228 -4.885 14.429 1.00 35.31 H new ATOM 1854 N GLU B 781 3.661 -0.464 14.857 1.00 61.15 N ATOM 1855 CA GLU B 781 2.704 0.634 14.748 1.00 33.24 C ATOM 1856 C GLU B 781 3.352 1.808 14.058 1.00 5.14 C ATOM 1857 O GLU B 781 4.564 2.036 14.206 1.00 42.34 O ATOM 1858 CB GLU B 781 2.229 1.077 16.120 1.00 70.43 C ATOM 1859 CG GLU B 781 1.128 0.265 16.735 1.00 72.25 C ATOM 1860 CD GLU B 781 0.927 0.633 18.162 1.00 14.11 C ATOM 1861 OE1 GLU B 781 0.559 1.800 18.438 1.00 43.12 O ATOM 1862 OE2 GLU B 781 1.104 -0.227 19.041 1.00 54.34 O ATOM 0 H GLU B 781 4.547 -0.172 15.270 1.00 61.15 H new ATOM 0 HA GLU B 781 1.849 0.281 14.171 1.00 33.24 H new ATOM 0 HB2 GLU B 781 3.082 1.066 16.798 1.00 70.43 H new ATOM 0 HB3 GLU B 781 1.893 2.111 16.048 1.00 70.43 H new ATOM 0 HG2 GLU B 781 0.202 0.423 16.181 1.00 72.25 H new ATOM 0 HG3 GLU B 781 1.368 -0.796 16.660 1.00 72.25 H new ATOM 1869 N LEU B 782 2.577 2.548 13.318 1.00 40.13 N ATOM 1870 CA LEU B 782 3.077 3.681 12.618 1.00 73.24 C ATOM 1871 C LEU B 782 1.957 4.724 12.592 1.00 34.22 C ATOM 1872 O LEU B 782 0.816 4.389 12.351 1.00 12.13 O ATOM 1873 CB LEU B 782 3.445 3.240 11.181 1.00 21.31 C ATOM 1874 CG LEU B 782 4.591 3.975 10.497 1.00 63.14 C ATOM 1875 CD1 LEU B 782 4.350 5.468 10.405 1.00 23.50 C ATOM 1876 CD2 LEU B 782 5.883 3.655 11.216 1.00 54.24 C ATOM 0 H LEU B 782 1.580 2.377 13.187 1.00 40.13 H new ATOM 0 HA LEU B 782 3.964 4.100 13.094 1.00 73.24 H new ATOM 0 HB2 LEU B 782 3.692 2.179 11.207 1.00 21.31 H new ATOM 0 HB3 LEU B 782 2.557 3.345 10.558 1.00 21.31 H new ATOM 0 HG LEU B 782 4.659 3.627 9.466 1.00 63.14 H new ATOM 0 HD11 LEU B 782 5.197 5.943 9.909 1.00 23.50 H new ATOM 0 HD12 LEU B 782 3.442 5.655 9.832 1.00 23.50 H new ATOM 0 HD13 LEU B 782 4.238 5.881 11.408 1.00 23.50 H new ATOM 0 HD21 LEU B 782 6.708 4.178 10.732 1.00 54.24 H new ATOM 0 HD22 LEU B 782 5.810 3.976 12.255 1.00 54.24 H new ATOM 0 HD23 LEU B 782 6.063 2.581 11.180 1.00 54.24 H new ATOM 1888 N ILE B 783 2.261 5.955 12.874 1.00 2.21 N ATOM 1889 CA ILE B 783 1.238 6.980 12.813 1.00 31.24 C ATOM 1890 C ILE B 783 1.510 7.862 11.638 1.00 22.12 C ATOM 1891 O ILE B 783 2.614 8.404 11.503 1.00 55.22 O ATOM 1892 CB ILE B 783 1.103 7.879 14.108 1.00 5.42 C ATOM 1893 CG1 ILE B 783 0.761 7.061 15.375 1.00 15.34 C ATOM 1894 CG2 ILE B 783 0.033 8.981 13.905 1.00 51.14 C ATOM 1895 CD1 ILE B 783 1.870 6.161 15.893 1.00 21.13 C ATOM 0 H ILE B 783 3.189 6.280 13.145 1.00 2.21 H new ATOM 0 HA ILE B 783 0.291 6.447 12.725 1.00 31.24 H new ATOM 0 HB ILE B 783 2.081 8.336 14.262 1.00 5.42 H new ATOM 0 HG12 ILE B 783 0.479 7.754 16.168 1.00 15.34 H new ATOM 0 HG13 ILE B 783 -0.113 6.446 15.164 1.00 15.34 H new ATOM 0 HG21 ILE B 783 -0.042 9.586 14.808 1.00 51.14 H new ATOM 0 HG22 ILE B 783 0.319 9.615 13.066 1.00 51.14 H new ATOM 0 HG23 ILE B 783 -0.932 8.518 13.698 1.00 51.14 H new ATOM 0 HD11 ILE B 783 1.525 5.634 16.783 1.00 21.13 H new ATOM 0 HD12 ILE B 783 2.140 5.437 15.124 1.00 21.13 H new ATOM 0 HD13 ILE B 783 2.742 6.765 16.144 1.00 21.13 H new ATOM 1907 N ILE B 784 0.543 8.004 10.797 1.00 22.25 N ATOM 1908 CA ILE B 784 0.654 8.844 9.694 1.00 62.35 C ATOM 1909 C ILE B 784 -0.218 10.010 9.937 1.00 4.43 C ATOM 1910 O ILE B 784 0.216 10.930 10.612 1.00 37.71 O ATOM 1911 CB ILE B 784 0.318 8.132 8.347 1.00 61.12 C ATOM 1912 CG1 ILE B 784 -1.010 7.333 8.419 1.00 12.54 C ATOM 1913 CG2 ILE B 784 1.457 7.244 7.937 1.00 44.44 C ATOM 1914 CD1 ILE B 784 -1.394 6.629 7.132 1.00 61.22 C ATOM 1915 OXT ILE B 784 -1.340 10.002 9.513 1.00 37.71 O ATOM 0 H ILE B 784 -0.354 7.524 10.873 1.00 22.25 H new ATOM 0 HA ILE B 784 1.691 9.161 9.584 1.00 62.35 H new ATOM 0 HB ILE B 784 0.178 8.904 7.591 1.00 61.12 H new ATOM 0 HG12 ILE B 784 -0.930 6.591 9.213 1.00 12.54 H new ATOM 0 HG13 ILE B 784 -1.814 8.014 8.699 1.00 12.54 H new ATOM 0 HG21 ILE B 784 1.214 6.751 6.996 1.00 44.44 H new ATOM 0 HG22 ILE B 784 2.358 7.844 7.810 1.00 44.44 H new ATOM 0 HG23 ILE B 784 1.627 6.492 8.707 1.00 44.44 H new ATOM 0 HD11 ILE B 784 -2.334 6.097 7.275 1.00 61.22 H new ATOM 0 HD12 ILE B 784 -1.511 7.364 6.336 1.00 61.22 H new ATOM 0 HD13 ILE B 784 -0.613 5.919 6.859 1.00 61.22 H new