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 Single : A 588 THR OG1 : rot 180:sc= -0.76 USER MOD Single : A 594 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 596 SER OG : rot -160:sc= 0.797 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.595 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.5!) USER MOD Single : A 610 SER OG : rot -170:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ -116:sc= 1.09 (180deg=-0.56) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.08) USER MOD Single : A 639 ASN : amide:sc= -1.04 K(o=-1,f=-0.13) USER MOD Single : A 641 GLN : amide:sc= 0.866 K(o=0.87,f=-2.5) USER MOD Single : A 646 ASN : amide:sc= -1.68! C(o=-1.7!,f=-14!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0027) USER MOD Single : A 655 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5.2!) USER MOD Single : A 656 GLN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 659 MET CE :methyl -146:sc= -0.123 (180deg=-3.24!) USER MOD Single : A 661 THR OG1 : rot 73:sc= 0.657 USER MOD Single : A 665 SER OG : rot -101:sc= 1.22 USER MOD Single : A 666 MET CE :methyl 163:sc= -6.17! (180deg=-6.54!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 80:sc= 0.00239 USER MOD Single : A 671 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.7!) USER MOD Single : A 672 LYS NZ :NH3+ -151:sc= 1.07 (180deg=0.472) USER MOD Single : A 675 MET CE :methyl 141:sc= -0.162 (180deg=-0.638) USER MOD Single : A 677 GLN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.178 -5.539 -0.434 1.00 32.13 N ATOM 79 CA GLU A 585 -13.366 -4.556 -1.490 1.00 33.35 C ATOM 80 C GLU A 585 -12.424 -3.385 -1.280 1.00 70.02 C ATOM 81 O GLU A 585 -12.052 -3.076 -0.140 1.00 13.01 O ATOM 82 CB GLU A 585 -14.827 -4.094 -1.599 1.00 63.33 C ATOM 83 CG GLU A 585 -15.423 -3.651 -0.288 1.00 72.34 C ATOM 84 CD GLU A 585 -16.789 -3.035 -0.422 1.00 5.12 C ATOM 85 OE1 GLU A 585 -17.755 -3.733 -0.781 1.00 20.25 O ATOM 86 OE2 GLU A 585 -16.924 -1.844 -0.126 1.00 64.31 O ATOM 0 HA GLU A 585 -13.125 -5.032 -2.441 1.00 33.35 H new ATOM 0 HB2 GLU A 585 -14.886 -3.271 -2.311 1.00 63.33 H new ATOM 0 HB3 GLU A 585 -15.427 -4.909 -2.004 1.00 63.33 H new ATOM 0 HG2 GLU A 585 -15.485 -4.509 0.381 1.00 72.34 H new ATOM 0 HG3 GLU A 585 -14.753 -2.930 0.180 1.00 72.34 H new ATOM 93 N PHE A 586 -12.055 -2.745 -2.360 1.00 22.35 N ATOM 94 CA PHE A 586 -11.063 -1.697 -2.340 1.00 60.21 C ATOM 95 C PHE A 586 -11.665 -0.344 -2.528 1.00 2.41 C ATOM 96 O PHE A 586 -12.350 -0.088 -3.521 1.00 73.21 O ATOM 97 CB PHE A 586 -10.022 -1.952 -3.425 1.00 43.22 C ATOM 98 CG PHE A 586 -9.274 -3.191 -3.166 1.00 23.12 C ATOM 99 CD1 PHE A 586 -8.179 -3.160 -2.356 1.00 12.21 C ATOM 100 CD2 PHE A 586 -9.693 -4.400 -3.691 1.00 44.00 C ATOM 101 CE1 PHE A 586 -7.498 -4.308 -2.063 1.00 43.12 C ATOM 102 CE2 PHE A 586 -9.011 -5.557 -3.408 1.00 64.11 C ATOM 103 CZ PHE A 586 -7.907 -5.510 -2.589 1.00 60.24 C ATOM 0 H PHE A 586 -12.437 -2.937 -3.286 1.00 22.35 H new ATOM 0 HA PHE A 586 -10.592 -1.712 -1.357 1.00 60.21 H new ATOM 0 HB2 PHE A 586 -10.514 -2.017 -4.396 1.00 43.22 H new ATOM 0 HB3 PHE A 586 -9.331 -1.111 -3.474 1.00 43.22 H new ATOM 0 HD1 PHE A 586 -7.846 -2.220 -1.942 1.00 12.21 H new ATOM 0 HD2 PHE A 586 -10.564 -4.434 -4.329 1.00 44.00 H new ATOM 0 HE1 PHE A 586 -6.635 -4.271 -1.415 1.00 43.12 H new ATOM 0 HE2 PHE A 586 -9.339 -6.498 -3.825 1.00 64.11 H new ATOM 0 HZ PHE A 586 -7.363 -6.415 -2.360 1.00 60.24 H new ATOM 113 N LEU A 587 -11.425 0.517 -1.589 1.00 70.24 N ATOM 114 CA LEU A 587 -11.877 1.876 -1.684 1.00 24.31 C ATOM 115 C LEU A 587 -10.693 2.778 -1.784 1.00 42.21 C ATOM 116 O LEU A 587 -9.683 2.571 -1.104 1.00 32.31 O ATOM 117 CB LEU A 587 -12.766 2.321 -0.501 1.00 33.35 C ATOM 118 CG LEU A 587 -14.133 1.643 -0.339 1.00 4.15 C ATOM 119 CD1 LEU A 587 -14.009 0.193 0.091 1.00 74.40 C ATOM 120 CD2 LEU A 587 -15.002 2.431 0.617 1.00 72.41 C ATOM 0 H LEU A 587 -10.911 0.301 -0.735 1.00 70.24 H new ATOM 0 HA LEU A 587 -12.499 1.939 -2.577 1.00 24.31 H new ATOM 0 HB2 LEU A 587 -12.203 2.164 0.419 1.00 33.35 H new ATOM 0 HB3 LEU A 587 -12.933 3.394 -0.593 1.00 33.35 H new ATOM 0 HG LEU A 587 -14.614 1.634 -1.317 1.00 4.15 H new ATOM 0 HD11 LEU A 587 -15.003 -0.243 0.192 1.00 74.40 H new ATOM 0 HD12 LEU A 587 -13.444 -0.362 -0.658 1.00 74.40 H new ATOM 0 HD13 LEU A 587 -13.491 0.140 1.049 1.00 74.40 H new ATOM 0 HD21 LEU A 587 -15.968 1.937 0.721 1.00 72.41 H new ATOM 0 HD22 LEU A 587 -14.515 2.485 1.591 1.00 72.41 H new ATOM 0 HD23 LEU A 587 -15.149 3.439 0.228 1.00 72.41 H new ATOM 132 N THR A 588 -10.796 3.750 -2.608 1.00 30.24 N ATOM 133 CA THR A 588 -9.729 4.682 -2.790 1.00 2.33 C ATOM 134 C THR A 588 -10.109 6.009 -2.175 1.00 23.24 C ATOM 135 O THR A 588 -11.145 6.590 -2.519 1.00 14.14 O ATOM 136 CB THR A 588 -9.405 4.884 -4.290 1.00 45.31 C ATOM 137 OG1 THR A 588 -9.015 3.628 -4.882 1.00 31.20 O ATOM 138 CG2 THR A 588 -8.278 5.901 -4.476 1.00 13.24 C ATOM 0 H THR A 588 -11.620 3.931 -3.181 1.00 30.24 H new ATOM 0 HA THR A 588 -8.841 4.281 -2.301 1.00 2.33 H new ATOM 0 HB THR A 588 -10.302 5.262 -4.781 1.00 45.31 H new ATOM 0 HG1 THR A 588 -8.813 3.763 -5.831 1.00 31.20 H new ATOM 0 HG21 THR A 588 -8.071 6.024 -5.539 1.00 13.24 H new ATOM 0 HG22 THR A 588 -8.579 6.859 -4.052 1.00 13.24 H new ATOM 0 HG23 THR A 588 -7.380 5.546 -3.970 1.00 13.24 H new ATOM 146 N PHE A 589 -9.317 6.471 -1.257 1.00 22.20 N ATOM 147 CA PHE A 589 -9.533 7.753 -0.688 1.00 45.13 C ATOM 148 C PHE A 589 -8.374 8.642 -1.031 1.00 20.04 C ATOM 149 O PHE A 589 -7.229 8.213 -0.972 1.00 23.30 O ATOM 150 CB PHE A 589 -9.705 7.662 0.826 1.00 72.34 C ATOM 151 CG PHE A 589 -10.903 6.867 1.217 1.00 10.15 C ATOM 152 CD1 PHE A 589 -12.122 7.147 0.653 1.00 15.42 C ATOM 153 CD2 PHE A 589 -10.816 5.855 2.143 1.00 71.45 C ATOM 154 CE1 PHE A 589 -13.233 6.443 0.989 1.00 15.22 C ATOM 155 CE2 PHE A 589 -11.934 5.132 2.500 1.00 32.31 C ATOM 156 CZ PHE A 589 -13.151 5.428 1.921 1.00 40.04 C ATOM 0 H PHE A 589 -8.510 5.969 -0.887 1.00 22.20 H new ATOM 0 HA PHE A 589 -10.452 8.172 -1.098 1.00 45.13 H new ATOM 0 HB2 PHE A 589 -8.815 7.210 1.263 1.00 72.34 H new ATOM 0 HB3 PHE A 589 -9.789 8.667 1.240 1.00 72.34 H new ATOM 0 HD1 PHE A 589 -12.199 7.943 -0.073 1.00 15.42 H new ATOM 0 HD2 PHE A 589 -9.863 5.624 2.595 1.00 71.45 H new ATOM 0 HE1 PHE A 589 -14.181 6.677 0.527 1.00 15.22 H new ATOM 0 HE2 PHE A 589 -11.858 4.338 3.229 1.00 32.31 H new ATOM 0 HZ PHE A 589 -14.034 4.869 2.195 1.00 40.04 H new ATOM 166 N GLU A 590 -8.650 9.843 -1.435 1.00 75.24 N ATOM 167 CA GLU A 590 -7.606 10.785 -1.713 1.00 50.42 C ATOM 168 C GLU A 590 -7.709 11.917 -0.736 1.00 11.41 C ATOM 169 O GLU A 590 -8.701 12.642 -0.690 1.00 12.13 O ATOM 170 CB GLU A 590 -7.622 11.234 -3.158 1.00 65.23 C ATOM 171 CG GLU A 590 -7.459 10.058 -4.109 1.00 4.14 C ATOM 172 CD GLU A 590 -7.414 10.441 -5.548 1.00 73.24 C ATOM 173 OE1 GLU A 590 -8.488 10.659 -6.147 1.00 24.43 O ATOM 174 OE2 GLU A 590 -6.317 10.487 -6.122 1.00 50.54 O ATOM 0 H GLU A 590 -9.595 10.198 -1.581 1.00 75.24 H new ATOM 0 HA GLU A 590 -6.634 10.310 -1.582 1.00 50.42 H new ATOM 0 HB2 GLU A 590 -8.560 11.748 -3.370 1.00 65.23 H new ATOM 0 HB3 GLU A 590 -6.820 11.953 -3.326 1.00 65.23 H new ATOM 0 HG2 GLU A 590 -6.542 9.525 -3.857 1.00 4.14 H new ATOM 0 HG3 GLU A 590 -8.284 9.363 -3.955 1.00 4.14 H new ATOM 181 N VAL A 591 -6.701 12.029 0.039 1.00 32.22 N ATOM 182 CA VAL A 591 -6.652 12.894 1.178 1.00 41.41 C ATOM 183 C VAL A 591 -5.598 13.960 1.006 1.00 71.41 C ATOM 184 O VAL A 591 -4.449 13.652 0.837 1.00 21.50 O ATOM 185 CB VAL A 591 -6.301 12.039 2.422 1.00 43.22 C ATOM 186 CG1 VAL A 591 -6.083 12.907 3.649 1.00 71.01 C ATOM 187 CG2 VAL A 591 -7.417 11.046 2.686 1.00 65.43 C ATOM 0 H VAL A 591 -5.840 11.500 -0.100 1.00 32.22 H new ATOM 0 HA VAL A 591 -7.619 13.382 1.294 1.00 41.41 H new ATOM 0 HB VAL A 591 -5.372 11.507 2.219 1.00 43.22 H new ATOM 0 HG11 VAL A 591 -5.839 12.275 4.503 1.00 71.01 H new ATOM 0 HG12 VAL A 591 -5.262 13.600 3.463 1.00 71.01 H new ATOM 0 HG13 VAL A 591 -6.992 13.470 3.862 1.00 71.01 H new ATOM 0 HG21 VAL A 591 -7.170 10.445 3.561 1.00 65.43 H new ATOM 0 HG22 VAL A 591 -8.348 11.584 2.867 1.00 65.43 H new ATOM 0 HG23 VAL A 591 -7.537 10.395 1.820 1.00 65.43 H new ATOM 197 N PRO A 592 -5.967 15.226 1.022 1.00 73.01 N ATOM 198 CA PRO A 592 -4.989 16.293 0.977 1.00 71.12 C ATOM 199 C PRO A 592 -4.240 16.362 2.310 1.00 13.33 C ATOM 200 O PRO A 592 -4.806 16.076 3.352 1.00 34.24 O ATOM 201 CB PRO A 592 -5.836 17.545 0.758 1.00 31.11 C ATOM 202 CG PRO A 592 -7.155 17.198 1.337 1.00 21.22 C ATOM 203 CD PRO A 592 -7.351 15.733 1.087 1.00 72.21 C ATOM 0 HA PRO A 592 -4.233 16.162 0.203 1.00 71.12 H new ATOM 0 HB2 PRO A 592 -5.400 18.413 1.253 1.00 31.11 H new ATOM 0 HB3 PRO A 592 -5.918 17.790 -0.301 1.00 31.11 H new ATOM 0 HG2 PRO A 592 -7.181 17.417 2.404 1.00 21.22 H new ATOM 0 HG3 PRO A 592 -7.950 17.782 0.872 1.00 21.22 H new ATOM 0 HD2 PRO A 592 -7.919 15.258 1.887 1.00 72.21 H new ATOM 0 HD3 PRO A 592 -7.893 15.550 0.159 1.00 72.21 H new ATOM 211 N LEU A 593 -2.988 16.752 2.289 1.00 32.11 N ATOM 212 CA LEU A 593 -2.197 16.830 3.544 1.00 61.20 C ATOM 213 C LEU A 593 -2.474 18.145 4.278 1.00 50.52 C ATOM 214 O LEU A 593 -1.727 18.548 5.185 1.00 10.55 O ATOM 215 CB LEU A 593 -0.674 16.648 3.307 1.00 43.22 C ATOM 216 CG LEU A 593 -0.181 15.258 2.831 1.00 50.03 C ATOM 217 CD1 LEU A 593 -0.621 14.945 1.418 1.00 63.32 C ATOM 218 CD2 LEU A 593 1.323 15.145 2.954 1.00 32.13 C ATOM 0 H LEU A 593 -2.482 17.021 1.445 1.00 32.11 H new ATOM 0 HA LEU A 593 -2.520 15.998 4.170 1.00 61.20 H new ATOM 0 HB2 LEU A 593 -0.359 17.386 2.570 1.00 43.22 H new ATOM 0 HB3 LEU A 593 -0.159 16.886 4.238 1.00 43.22 H new ATOM 0 HG LEU A 593 -0.643 14.519 3.486 1.00 50.03 H new ATOM 0 HD11 LEU A 593 -0.251 13.961 1.131 1.00 63.32 H new ATOM 0 HD12 LEU A 593 -1.710 14.952 1.366 1.00 63.32 H new ATOM 0 HD13 LEU A 593 -0.220 15.696 0.737 1.00 63.32 H new ATOM 0 HD21 LEU A 593 1.643 14.160 2.614 1.00 32.13 H new ATOM 0 HD22 LEU A 593 1.797 15.912 2.342 1.00 32.13 H new ATOM 0 HD23 LEU A 593 1.614 15.281 3.996 1.00 32.13 H new ATOM 230 N ASN A 594 -3.595 18.744 3.921 1.00 71.24 N ATOM 231 CA ASN A 594 -4.038 20.053 4.417 1.00 31.03 C ATOM 232 C ASN A 594 -4.241 20.064 5.923 1.00 23.11 C ATOM 233 O ASN A 594 -3.461 20.681 6.652 1.00 13.41 O ATOM 234 CB ASN A 594 -5.324 20.509 3.688 1.00 45.00 C ATOM 235 CG ASN A 594 -5.844 21.868 4.163 1.00 12.32 C ATOM 236 OD1 ASN A 594 -5.438 22.909 3.655 1.00 54.15 O ATOM 237 ND2 ASN A 594 -6.764 21.868 5.103 1.00 54.44 N ATOM 0 H ASN A 594 -4.249 18.328 3.258 1.00 71.24 H new ATOM 0 HA ASN A 594 -3.240 20.762 4.198 1.00 31.03 H new ATOM 0 HB2 ASN A 594 -5.127 20.558 2.617 1.00 45.00 H new ATOM 0 HB3 ASN A 594 -6.101 19.759 3.836 1.00 45.00 H new ATOM 0 HD21 ASN A 594 -7.160 22.750 5.429 1.00 54.44 H new ATOM 0 HD22 ASN A 594 -7.081 20.986 5.506 1.00 54.44 H new ATOM 244 N ASP A 595 -5.272 19.368 6.389 1.00 15.11 N ATOM 245 CA ASP A 595 -5.586 19.313 7.831 1.00 74.31 C ATOM 246 C ASP A 595 -4.589 18.472 8.567 1.00 13.23 C ATOM 247 O ASP A 595 -4.397 18.631 9.767 1.00 41.21 O ATOM 248 CB ASP A 595 -7.004 18.790 8.087 1.00 32.13 C ATOM 249 CG ASP A 595 -8.082 19.742 7.652 1.00 51.21 C ATOM 250 OD1 ASP A 595 -8.311 19.881 6.436 1.00 53.42 O ATOM 251 OD2 ASP A 595 -8.719 20.374 8.526 1.00 2.14 O ATOM 0 H ASP A 595 -5.909 18.832 5.799 1.00 15.11 H new ATOM 0 HA ASP A 595 -5.531 20.335 8.206 1.00 74.31 H new ATOM 0 HB2 ASP A 595 -7.133 17.843 7.563 1.00 32.13 H new ATOM 0 HB3 ASP A 595 -7.120 18.584 9.151 1.00 32.13 H new ATOM 256 N SER A 596 -3.961 17.576 7.838 1.00 71.12 N ATOM 257 CA SER A 596 -2.937 16.715 8.354 1.00 55.44 C ATOM 258 C SER A 596 -1.797 17.554 8.919 1.00 5.43 C ATOM 259 O SER A 596 -1.573 17.549 10.131 1.00 50.34 O ATOM 260 CB SER A 596 -2.471 15.826 7.222 1.00 12.23 C ATOM 261 OG SER A 596 -3.581 15.168 6.619 1.00 43.12 O ATOM 0 H SER A 596 -4.158 17.428 6.848 1.00 71.12 H new ATOM 0 HA SER A 596 -3.314 16.094 9.167 1.00 55.44 H new ATOM 0 HB2 SER A 596 -1.944 16.422 6.476 1.00 12.23 H new ATOM 0 HB3 SER A 596 -1.763 15.088 7.599 1.00 12.23 H new ATOM 0 HG SER A 596 -3.267 14.381 6.126 1.00 43.12 H new ATOM 267 N GLY A 597 -1.107 18.291 8.047 1.00 21.04 N ATOM 268 CA GLY A 597 -0.037 19.195 8.460 1.00 22.42 C ATOM 269 C GLY A 597 1.159 18.481 9.063 1.00 12.33 C ATOM 270 O GLY A 597 2.207 18.356 8.425 1.00 65.22 O ATOM 0 H GLY A 597 -1.274 18.277 7.041 1.00 21.04 H new ATOM 0 HA2 GLY A 597 0.292 19.774 7.597 1.00 22.42 H new ATOM 0 HA3 GLY A 597 -0.432 19.904 9.188 1.00 22.42 H new ATOM 274 N SER A 598 0.998 18.019 10.279 1.00 34.12 N ATOM 275 CA SER A 598 2.029 17.320 10.978 1.00 43.53 C ATOM 276 C SER A 598 1.902 15.829 10.747 1.00 12.24 C ATOM 277 O SER A 598 2.823 15.056 11.037 1.00 22.13 O ATOM 278 CB SER A 598 1.974 17.654 12.456 1.00 15.52 C ATOM 279 OG SER A 598 2.053 19.057 12.648 1.00 64.33 O ATOM 0 H SER A 598 0.134 18.123 10.811 1.00 34.12 H new ATOM 0 HA SER A 598 2.999 17.637 10.595 1.00 43.53 H new ATOM 0 HB2 SER A 598 1.048 17.273 12.887 1.00 15.52 H new ATOM 0 HB3 SER A 598 2.795 17.162 12.978 1.00 15.52 H new ATOM 0 HG SER A 598 2.015 19.259 13.606 1.00 64.33 H new ATOM 285 N ALA A 599 0.778 15.430 10.216 1.00 1.53 N ATOM 286 CA ALA A 599 0.550 14.090 9.908 1.00 75.03 C ATOM 287 C ALA A 599 0.392 14.003 8.423 1.00 45.43 C ATOM 288 O ALA A 599 0.397 15.025 7.731 1.00 1.30 O ATOM 289 CB ALA A 599 -0.696 13.597 10.621 1.00 0.44 C ATOM 0 H ALA A 599 0.001 16.052 9.992 1.00 1.53 H new ATOM 0 HA ALA A 599 1.378 13.462 10.236 1.00 75.03 H new ATOM 0 HB1 ALA A 599 -0.866 12.549 10.374 1.00 0.44 H new ATOM 0 HB2 ALA A 599 -0.563 13.699 11.698 1.00 0.44 H new ATOM 0 HB3 ALA A 599 -1.555 14.188 10.304 1.00 0.44 H new ATOM 295 N GLY A 600 0.261 12.843 7.948 1.00 4.31 N ATOM 296 CA GLY A 600 0.061 12.640 6.537 1.00 25.51 C ATOM 297 C GLY A 600 -1.393 12.473 6.257 1.00 40.32 C ATOM 298 O GLY A 600 -1.975 13.165 5.422 1.00 14.13 O ATOM 0 H GLY A 600 0.285 11.988 8.503 1.00 4.31 H new ATOM 0 HA2 GLY A 600 0.454 13.489 5.978 1.00 25.51 H new ATOM 0 HA3 GLY A 600 0.609 11.758 6.205 1.00 25.51 H new ATOM 302 N LEU A 601 -1.984 11.567 6.971 1.00 3.40 N ATOM 303 CA LEU A 601 -3.389 11.312 6.885 1.00 41.41 C ATOM 304 C LEU A 601 -4.020 11.779 8.168 1.00 21.03 C ATOM 305 O LEU A 601 -5.111 12.380 8.178 1.00 5.41 O ATOM 306 CB LEU A 601 -3.681 9.791 6.725 1.00 72.24 C ATOM 307 CG LEU A 601 -3.149 9.053 5.478 1.00 32.41 C ATOM 308 CD1 LEU A 601 -3.557 9.726 4.257 1.00 22.33 C ATOM 309 CD2 LEU A 601 -1.671 8.904 5.476 1.00 22.15 C ATOM 0 H LEU A 601 -1.496 10.973 7.642 1.00 3.40 H new ATOM 0 HA LEU A 601 -3.791 11.835 6.017 1.00 41.41 H new ATOM 0 HB2 LEU A 601 -3.279 9.285 7.603 1.00 72.24 H new ATOM 0 HB3 LEU A 601 -4.763 9.660 6.748 1.00 72.24 H new ATOM 0 HG LEU A 601 -3.587 8.056 5.518 1.00 32.41 H new ATOM 0 HD11 LEU A 601 -3.168 9.184 3.395 1.00 22.33 H new ATOM 0 HD12 LEU A 601 -4.645 9.757 4.205 1.00 22.33 H new ATOM 0 HD13 LEU A 601 -3.164 10.743 4.253 1.00 22.33 H new ATOM 0 HD21 LEU A 601 -1.360 8.377 4.574 1.00 22.15 H new ATOM 0 HD22 LEU A 601 -1.206 9.890 5.500 1.00 22.15 H new ATOM 0 HD23 LEU A 601 -1.361 8.336 6.353 1.00 22.15 H new ATOM 321 N GLY A 602 -3.317 11.502 9.247 1.00 21.13 N ATOM 322 CA GLY A 602 -3.776 11.763 10.541 1.00 53.44 C ATOM 323 C GLY A 602 -4.508 10.559 10.995 1.00 4.05 C ATOM 324 O GLY A 602 -5.676 10.607 11.360 1.00 71.54 O ATOM 0 H GLY A 602 -2.390 11.078 9.217 1.00 21.13 H new ATOM 0 HA2 GLY A 602 -2.942 11.981 11.209 1.00 53.44 H new ATOM 0 HA3 GLY A 602 -4.428 12.636 10.549 1.00 53.44 H new ATOM 328 N VAL A 603 -3.829 9.441 10.895 1.00 30.32 N ATOM 329 CA VAL A 603 -4.348 8.170 11.296 1.00 31.31 C ATOM 330 C VAL A 603 -3.210 7.414 11.949 1.00 3.33 C ATOM 331 O VAL A 603 -2.050 7.673 11.656 1.00 10.34 O ATOM 332 CB VAL A 603 -4.825 7.340 10.045 1.00 13.33 C ATOM 333 CG1 VAL A 603 -5.481 6.043 10.445 1.00 41.25 C ATOM 334 CG2 VAL A 603 -5.742 8.137 9.147 1.00 45.14 C ATOM 0 H VAL A 603 -2.880 9.397 10.523 1.00 30.32 H new ATOM 0 HA VAL A 603 -5.195 8.313 11.967 1.00 31.31 H new ATOM 0 HB VAL A 603 -3.924 7.104 9.478 1.00 13.33 H new ATOM 0 HG11 VAL A 603 -5.794 5.503 9.551 1.00 41.25 H new ATOM 0 HG12 VAL A 603 -4.772 5.435 11.007 1.00 41.25 H new ATOM 0 HG13 VAL A 603 -6.352 6.252 11.067 1.00 41.25 H new ATOM 0 HG21 VAL A 603 -6.044 7.523 8.299 1.00 45.14 H new ATOM 0 HG22 VAL A 603 -6.626 8.442 9.708 1.00 45.14 H new ATOM 0 HG23 VAL A 603 -5.218 9.022 8.786 1.00 45.14 H new ATOM 344 N SER A 604 -3.513 6.528 12.827 1.00 11.31 N ATOM 345 CA SER A 604 -2.523 5.678 13.361 1.00 60.53 C ATOM 346 C SER A 604 -2.774 4.316 12.803 1.00 15.11 C ATOM 347 O SER A 604 -3.915 3.863 12.758 1.00 65.21 O ATOM 348 CB SER A 604 -2.585 5.639 14.880 1.00 72.04 C ATOM 349 OG SER A 604 -2.474 6.946 15.423 1.00 21.12 O ATOM 0 H SER A 604 -4.453 6.375 13.192 1.00 11.31 H new ATOM 0 HA SER A 604 -1.531 6.043 13.093 1.00 60.53 H new ATOM 0 HB2 SER A 604 -3.524 5.187 15.199 1.00 72.04 H new ATOM 0 HB3 SER A 604 -1.782 5.011 15.265 1.00 72.04 H new ATOM 0 HG SER A 604 -2.518 6.899 16.401 1.00 21.12 H new ATOM 355 N VAL A 605 -1.761 3.689 12.364 1.00 74.35 N ATOM 356 CA VAL A 605 -1.855 2.380 11.835 1.00 31.11 C ATOM 357 C VAL A 605 -0.936 1.437 12.530 1.00 13.12 C ATOM 358 O VAL A 605 -0.051 1.843 13.277 1.00 54.32 O ATOM 359 CB VAL A 605 -1.565 2.279 10.344 1.00 32.42 C ATOM 360 CG1 VAL A 605 -2.695 2.815 9.489 1.00 65.53 C ATOM 361 CG2 VAL A 605 -0.249 2.937 9.959 1.00 44.02 C ATOM 0 H VAL A 605 -0.817 4.074 12.359 1.00 74.35 H new ATOM 0 HA VAL A 605 -2.898 2.111 12.001 1.00 31.11 H new ATOM 0 HB VAL A 605 -1.476 1.212 10.141 1.00 32.42 H new ATOM 0 HG11 VAL A 605 -2.432 2.717 8.436 1.00 65.53 H new ATOM 0 HG12 VAL A 605 -3.604 2.248 9.690 1.00 65.53 H new ATOM 0 HG13 VAL A 605 -2.863 3.866 9.725 1.00 65.53 H new ATOM 0 HG21 VAL A 605 -0.092 2.836 8.885 1.00 44.02 H new ATOM 0 HG22 VAL A 605 -0.280 3.994 10.223 1.00 44.02 H new ATOM 0 HG23 VAL A 605 0.569 2.453 10.493 1.00 44.02 H new ATOM 371 N LYS A 606 -1.169 0.200 12.303 1.00 10.31 N ATOM 372 CA LYS A 606 -0.337 -0.850 12.820 1.00 12.14 C ATOM 373 C LYS A 606 -0.361 -2.003 11.872 1.00 4.22 C ATOM 374 O LYS A 606 -1.317 -2.170 11.128 1.00 21.22 O ATOM 375 CB LYS A 606 -0.721 -1.301 14.226 1.00 22.43 C ATOM 376 CG LYS A 606 -2.073 -1.968 14.362 1.00 32.40 C ATOM 377 CD LYS A 606 -2.235 -2.478 15.772 1.00 51.22 C ATOM 378 CE LYS A 606 -3.560 -3.174 15.982 1.00 14.40 C ATOM 379 NZ LYS A 606 -3.682 -3.704 17.356 1.00 32.21 N ATOM 0 H LYS A 606 -1.955 -0.131 11.744 1.00 10.31 H new ATOM 0 HA LYS A 606 0.673 -0.449 12.908 1.00 12.14 H new ATOM 0 HB2 LYS A 606 0.041 -1.993 14.585 1.00 22.43 H new ATOM 0 HB3 LYS A 606 -0.699 -0.432 14.884 1.00 22.43 H new ATOM 0 HG2 LYS A 606 -2.867 -1.259 14.125 1.00 32.40 H new ATOM 0 HG3 LYS A 606 -2.159 -2.791 13.653 1.00 32.40 H new ATOM 0 HD2 LYS A 606 -1.424 -3.169 16.001 1.00 51.22 H new ATOM 0 HD3 LYS A 606 -2.150 -1.645 16.469 1.00 51.22 H new ATOM 0 HE2 LYS A 606 -4.374 -2.476 15.787 1.00 14.40 H new ATOM 0 HE3 LYS A 606 -3.661 -3.990 15.266 1.00 14.40 H new ATOM 0 HZ1 LYS A 606 -4.603 -4.175 17.466 1.00 32.21 H new ATOM 0 HZ2 LYS A 606 -2.919 -4.389 17.533 1.00 32.21 H new ATOM 0 HZ3 LYS A 606 -3.610 -2.922 18.038 1.00 32.21 H new ATOM 393 N GLY A 607 0.659 -2.765 11.864 1.00 55.22 N ATOM 394 CA GLY A 607 0.678 -3.882 10.996 1.00 44.41 C ATOM 395 C GLY A 607 0.463 -5.136 11.748 1.00 50.11 C ATOM 396 O GLY A 607 1.105 -5.366 12.768 1.00 32.51 O ATOM 0 H GLY A 607 1.490 -2.642 12.443 1.00 55.22 H new ATOM 0 HA2 GLY A 607 -0.096 -3.771 10.237 1.00 44.41 H new ATOM 0 HA3 GLY A 607 1.633 -3.926 10.473 1.00 44.41 H new ATOM 400 N ASN A 608 -0.450 -5.937 11.279 1.00 23.31 N ATOM 401 CA ASN A 608 -0.722 -7.185 11.921 1.00 52.33 C ATOM 402 C ASN A 608 -0.090 -8.290 11.113 1.00 14.43 C ATOM 403 O ASN A 608 -0.261 -8.365 9.881 1.00 54.11 O ATOM 404 CB ASN A 608 -2.233 -7.407 12.115 1.00 24.03 C ATOM 405 CG ASN A 608 -2.551 -8.671 12.896 1.00 64.33 C ATOM 406 OD1 ASN A 608 -1.752 -9.136 13.697 1.00 53.44 O ATOM 407 ND2 ASN A 608 -3.727 -9.200 12.710 1.00 53.53 N ATOM 0 H ASN A 608 -1.018 -5.746 10.453 1.00 23.31 H new ATOM 0 HA ASN A 608 -0.289 -7.180 12.921 1.00 52.33 H new ATOM 0 HB2 ASN A 608 -2.657 -6.548 12.636 1.00 24.03 H new ATOM 0 HB3 ASN A 608 -2.716 -7.458 11.139 1.00 24.03 H new ATOM 0 HD21 ASN A 608 -4.004 -10.026 13.240 1.00 53.53 H new ATOM 0 HD22 ASN A 608 -4.370 -8.788 12.034 1.00 53.53 H new ATOM 414 N ARG A 609 0.646 -9.115 11.776 1.00 61.25 N ATOM 415 CA ARG A 609 1.371 -10.159 11.162 1.00 45.31 C ATOM 416 C ARG A 609 1.058 -11.444 11.868 1.00 54.23 C ATOM 417 O ARG A 609 1.113 -11.517 13.101 1.00 45.12 O ATOM 418 CB ARG A 609 2.872 -9.900 11.302 1.00 65.12 C ATOM 419 CG ARG A 609 3.750 -10.867 10.525 1.00 4.54 C ATOM 420 CD ARG A 609 5.215 -10.726 10.907 1.00 64.54 C ATOM 421 NE ARG A 609 5.711 -9.345 10.823 1.00 34.53 N ATOM 422 CZ ARG A 609 6.983 -9.011 10.586 1.00 73.22 C ATOM 423 NH1 ARG A 609 7.867 -9.934 10.198 1.00 32.52 N ATOM 424 NH2 ARG A 609 7.373 -7.753 10.715 1.00 60.42 N ATOM 0 H ARG A 609 0.759 -9.075 12.789 1.00 61.25 H new ATOM 0 HA ARG A 609 1.097 -10.214 10.108 1.00 45.31 H new ATOM 0 HB2 ARG A 609 3.086 -8.885 10.968 1.00 65.12 H new ATOM 0 HB3 ARG A 609 3.141 -9.952 12.357 1.00 65.12 H new ATOM 0 HG2 ARG A 609 3.421 -11.889 10.713 1.00 4.54 H new ATOM 0 HG3 ARG A 609 3.633 -10.687 9.456 1.00 4.54 H new ATOM 0 HD2 ARG A 609 5.354 -11.093 11.924 1.00 64.54 H new ATOM 0 HD3 ARG A 609 5.815 -11.360 10.254 1.00 64.54 H new ATOM 0 HE ARG A 609 5.038 -8.590 10.955 1.00 34.53 H new ATOM 0 HH11 ARG A 609 7.573 -10.904 10.080 1.00 32.52 H new ATOM 0 HH12 ARG A 609 8.836 -9.669 10.020 1.00 32.52 H new ATOM 0 HH21 ARG A 609 6.702 -7.037 10.996 1.00 60.42 H new ATOM 0 HH22 ARG A 609 8.344 -7.499 10.534 1.00 60.42 H new ATOM 438 N SER A 610 0.718 -12.434 11.132 1.00 31.13 N ATOM 439 CA SER A 610 0.552 -13.716 11.686 1.00 12.12 C ATOM 440 C SER A 610 1.913 -14.392 11.625 1.00 41.41 C ATOM 441 O SER A 610 2.285 -14.967 10.612 1.00 33.41 O ATOM 442 CB SER A 610 -0.496 -14.479 10.902 1.00 42.20 C ATOM 443 OG SER A 610 -1.713 -13.767 10.882 1.00 44.25 O ATOM 0 H SER A 610 0.548 -12.375 10.128 1.00 31.13 H new ATOM 0 HA SER A 610 0.204 -13.676 12.718 1.00 12.12 H new ATOM 0 HB2 SER A 610 -0.147 -14.644 9.882 1.00 42.20 H new ATOM 0 HB3 SER A 610 -0.650 -15.461 11.349 1.00 42.20 H new ATOM 0 HG SER A 610 -2.419 -14.337 10.512 1.00 44.25 H new ATOM 518 N ALA A 615 2.959 -15.196 7.722 1.00 41.42 N ATOM 519 CA ALA A 615 2.386 -14.337 6.708 1.00 53.12 C ATOM 520 C ALA A 615 1.806 -13.093 7.359 1.00 33.32 C ATOM 521 O ALA A 615 1.129 -13.181 8.387 1.00 14.24 O ATOM 522 CB ALA A 615 1.309 -15.076 5.930 1.00 44.43 C ATOM 0 HA ALA A 615 3.170 -14.042 6.011 1.00 53.12 H new ATOM 0 HB1 ALA A 615 0.889 -14.415 5.172 1.00 44.43 H new ATOM 0 HB2 ALA A 615 1.744 -15.951 5.447 1.00 44.43 H new ATOM 0 HB3 ALA A 615 0.520 -15.393 6.612 1.00 44.43 H new ATOM 528 N ASP A 616 2.074 -11.946 6.777 1.00 0.31 N ATOM 529 CA ASP A 616 1.568 -10.690 7.299 1.00 54.42 C ATOM 530 C ASP A 616 0.159 -10.538 6.846 1.00 21.52 C ATOM 531 O ASP A 616 -0.218 -11.065 5.798 1.00 62.45 O ATOM 532 CB ASP A 616 2.352 -9.479 6.772 1.00 71.30 C ATOM 533 CG ASP A 616 3.834 -9.546 7.011 1.00 64.40 C ATOM 534 OD1 ASP A 616 4.511 -10.346 6.312 1.00 21.12 O ATOM 535 OD2 ASP A 616 4.340 -8.811 7.872 1.00 64.13 O ATOM 0 H ASP A 616 2.643 -11.854 5.936 1.00 0.31 H new ATOM 0 HA ASP A 616 1.663 -10.717 8.385 1.00 54.42 H new ATOM 0 HB2 ASP A 616 2.173 -9.384 5.701 1.00 71.30 H new ATOM 0 HB3 ASP A 616 1.961 -8.576 7.242 1.00 71.30 H new ATOM 540 N LEU A 617 -0.623 -9.833 7.593 1.00 4.34 N ATOM 541 CA LEU A 617 -1.989 -9.606 7.214 1.00 75.45 C ATOM 542 C LEU A 617 -2.117 -8.224 6.592 1.00 13.45 C ATOM 543 O LEU A 617 -3.166 -7.842 6.077 1.00 63.22 O ATOM 544 CB LEU A 617 -2.910 -9.767 8.427 1.00 11.15 C ATOM 545 CG LEU A 617 -2.851 -11.127 9.137 1.00 35.31 C ATOM 546 CD1 LEU A 617 -3.896 -11.206 10.229 1.00 71.02 C ATOM 547 CD2 LEU A 617 -3.009 -12.282 8.151 1.00 31.24 C ATOM 0 H LEU A 617 -0.344 -9.400 8.474 1.00 4.34 H new ATOM 0 HA LEU A 617 -2.294 -10.345 6.473 1.00 75.45 H new ATOM 0 HB2 LEU A 617 -2.665 -8.990 9.151 1.00 11.15 H new ATOM 0 HB3 LEU A 617 -3.937 -9.591 8.106 1.00 11.15 H new ATOM 0 HG LEU A 617 -1.866 -11.218 9.595 1.00 35.31 H new ATOM 0 HD11 LEU A 617 -3.837 -12.178 10.719 1.00 71.02 H new ATOM 0 HD12 LEU A 617 -3.717 -10.419 10.961 1.00 71.02 H new ATOM 0 HD13 LEU A 617 -4.887 -11.079 9.794 1.00 71.02 H new ATOM 0 HD21 LEU A 617 -2.962 -13.229 8.689 1.00 31.24 H new ATOM 0 HD22 LEU A 617 -3.971 -12.199 7.645 1.00 31.24 H new ATOM 0 HD23 LEU A 617 -2.207 -12.244 7.414 1.00 31.24 H new ATOM 559 N GLY A 618 -1.019 -7.495 6.623 1.00 22.22 N ATOM 560 CA GLY A 618 -0.977 -6.167 6.074 1.00 61.31 C ATOM 561 C GLY A 618 -1.029 -5.111 7.150 1.00 72.03 C ATOM 562 O GLY A 618 -1.007 -5.426 8.346 1.00 65.44 O ATOM 0 H GLY A 618 -0.138 -7.811 7.029 1.00 22.22 H new ATOM 0 HA2 GLY A 618 -0.065 -6.045 5.489 1.00 61.31 H new ATOM 0 HA3 GLY A 618 -1.815 -6.030 5.390 1.00 61.31 H new ATOM 566 N ILE A 619 -1.074 -3.873 6.735 1.00 20.52 N ATOM 567 CA ILE A 619 -1.153 -2.753 7.645 1.00 72.00 C ATOM 568 C ILE A 619 -2.620 -2.426 7.858 1.00 20.05 C ATOM 569 O ILE A 619 -3.373 -2.359 6.897 1.00 13.21 O ATOM 570 CB ILE A 619 -0.423 -1.505 7.057 1.00 23.31 C ATOM 571 CG1 ILE A 619 1.049 -1.825 6.734 1.00 3.24 C ATOM 572 CG2 ILE A 619 -0.508 -0.318 8.012 1.00 2.04 C ATOM 573 CD1 ILE A 619 1.880 -2.247 7.931 1.00 14.21 C ATOM 0 H ILE A 619 -1.057 -3.608 5.750 1.00 20.52 H new ATOM 0 HA ILE A 619 -0.670 -3.014 8.587 1.00 72.00 H new ATOM 0 HB ILE A 619 -0.928 -1.237 6.129 1.00 23.31 H new ATOM 0 HG12 ILE A 619 1.079 -2.620 5.989 1.00 3.24 H new ATOM 0 HG13 ILE A 619 1.508 -0.946 6.281 1.00 3.24 H new ATOM 0 HG21 ILE A 619 0.009 0.537 7.577 1.00 2.04 H new ATOM 0 HG22 ILE A 619 -1.554 -0.062 8.182 1.00 2.04 H new ATOM 0 HG23 ILE A 619 -0.040 -0.580 8.961 1.00 2.04 H new ATOM 0 HD11 ILE A 619 2.901 -2.452 7.611 1.00 14.21 H new ATOM 0 HD12 ILE A 619 1.886 -1.446 8.671 1.00 14.21 H new ATOM 0 HD13 ILE A 619 1.451 -3.146 8.373 1.00 14.21 H new ATOM 585 N PHE A 620 -3.021 -2.253 9.083 1.00 4.42 N ATOM 586 CA PHE A 620 -4.397 -1.955 9.402 1.00 45.35 C ATOM 587 C PHE A 620 -4.494 -0.669 10.170 1.00 21.21 C ATOM 588 O PHE A 620 -3.559 -0.288 10.888 1.00 3.15 O ATOM 589 CB PHE A 620 -5.030 -3.059 10.245 1.00 44.01 C ATOM 590 CG PHE A 620 -5.112 -4.401 9.596 1.00 23.02 C ATOM 591 CD1 PHE A 620 -4.069 -5.302 9.715 1.00 11.24 C ATOM 592 CD2 PHE A 620 -6.245 -4.778 8.886 1.00 43.13 C ATOM 593 CE1 PHE A 620 -4.157 -6.547 9.146 1.00 52.12 C ATOM 594 CE2 PHE A 620 -6.329 -6.024 8.313 1.00 74.10 C ATOM 595 CZ PHE A 620 -5.286 -6.910 8.444 1.00 42.45 C ATOM 0 H PHE A 620 -2.406 -2.313 9.895 1.00 4.42 H new ATOM 0 HA PHE A 620 -4.930 -1.873 8.455 1.00 45.35 H new ATOM 0 HB2 PHE A 620 -4.461 -3.157 11.169 1.00 44.01 H new ATOM 0 HB3 PHE A 620 -6.037 -2.747 10.522 1.00 44.01 H new ATOM 0 HD1 PHE A 620 -3.179 -5.023 10.260 1.00 11.24 H new ATOM 0 HD2 PHE A 620 -7.067 -4.085 8.783 1.00 43.13 H new ATOM 0 HE1 PHE A 620 -3.339 -7.245 9.248 1.00 52.12 H new ATOM 0 HE2 PHE A 620 -7.213 -6.307 7.761 1.00 74.10 H new ATOM 0 HZ PHE A 620 -5.351 -7.891 7.997 1.00 42.45 H new ATOM 605 N VAL A 621 -5.597 0.013 9.999 1.00 0.11 N ATOM 606 CA VAL A 621 -5.880 1.189 10.764 1.00 75.45 C ATOM 607 C VAL A 621 -6.049 0.839 12.220 1.00 24.22 C ATOM 608 O VAL A 621 -6.896 0.047 12.608 1.00 33.22 O ATOM 609 CB VAL A 621 -7.098 1.971 10.242 1.00 25.32 C ATOM 610 CG1 VAL A 621 -7.380 3.185 11.119 1.00 34.30 C ATOM 611 CG2 VAL A 621 -6.836 2.416 8.828 1.00 63.32 C ATOM 0 H VAL A 621 -6.321 -0.235 9.325 1.00 0.11 H new ATOM 0 HA VAL A 621 -5.022 1.852 10.652 1.00 75.45 H new ATOM 0 HB VAL A 621 -7.970 1.318 10.269 1.00 25.32 H new ATOM 0 HG11 VAL A 621 -8.245 3.722 10.730 1.00 34.30 H new ATOM 0 HG12 VAL A 621 -7.584 2.858 12.138 1.00 34.30 H new ATOM 0 HG13 VAL A 621 -6.513 3.845 11.117 1.00 34.30 H new ATOM 0 HG21 VAL A 621 -7.697 2.970 8.456 1.00 63.32 H new ATOM 0 HG22 VAL A 621 -5.955 3.057 8.806 1.00 63.32 H new ATOM 0 HG23 VAL A 621 -6.666 1.543 8.198 1.00 63.32 H new ATOM 621 N LYS A 622 -5.225 1.415 12.979 1.00 30.54 N ATOM 622 CA LYS A 622 -5.161 1.243 14.385 1.00 74.12 C ATOM 623 C LYS A 622 -6.183 2.155 15.067 1.00 30.51 C ATOM 624 O LYS A 622 -7.081 1.694 15.761 1.00 60.12 O ATOM 625 CB LYS A 622 -3.737 1.613 14.763 1.00 62.43 C ATOM 626 CG LYS A 622 -3.451 1.900 16.164 1.00 61.33 C ATOM 627 CD LYS A 622 -2.030 2.382 16.259 1.00 24.30 C ATOM 628 CE LYS A 622 -1.771 2.918 17.653 1.00 20.24 C ATOM 629 NZ LYS A 622 -0.411 3.490 17.847 1.00 34.33 N ATOM 0 H LYS A 622 -4.523 2.066 12.627 1.00 30.54 H new ATOM 0 HA LYS A 622 -5.398 0.227 14.699 1.00 74.12 H new ATOM 0 HB2 LYS A 622 -3.086 0.797 14.450 1.00 62.43 H new ATOM 0 HB3 LYS A 622 -3.454 2.488 14.179 1.00 62.43 H new ATOM 0 HG2 LYS A 622 -4.136 2.657 16.546 1.00 61.33 H new ATOM 0 HG3 LYS A 622 -3.592 1.007 16.772 1.00 61.33 H new ATOM 0 HD2 LYS A 622 -1.342 1.566 16.038 1.00 24.30 H new ATOM 0 HD3 LYS A 622 -1.849 3.161 15.519 1.00 24.30 H new ATOM 0 HE2 LYS A 622 -2.511 3.686 17.877 1.00 20.24 H new ATOM 0 HE3 LYS A 622 -1.920 2.113 18.372 1.00 20.24 H new ATOM 0 HZ1 LYS A 622 0.107 2.924 18.550 1.00 34.33 H new ATOM 0 HZ2 LYS A 622 0.104 3.475 16.944 1.00 34.33 H new ATOM 0 HZ3 LYS A 622 -0.492 4.471 18.184 1.00 34.33 H new ATOM 643 N SER A 623 -6.028 3.428 14.854 1.00 5.11 N ATOM 644 CA SER A 623 -6.886 4.430 15.440 1.00 23.11 C ATOM 645 C SER A 623 -6.920 5.640 14.509 1.00 70.21 C ATOM 646 O SER A 623 -5.983 5.841 13.735 1.00 12.22 O ATOM 647 CB SER A 623 -6.381 4.814 16.846 1.00 74.24 C ATOM 648 OG SER A 623 -7.282 5.692 17.504 1.00 23.23 O ATOM 0 H SER A 623 -5.293 3.811 14.260 1.00 5.11 H new ATOM 0 HA SER A 623 -7.897 4.040 15.557 1.00 23.11 H new ATOM 0 HB2 SER A 623 -6.249 3.913 17.444 1.00 74.24 H new ATOM 0 HB3 SER A 623 -5.403 5.289 16.765 1.00 74.24 H new ATOM 0 HG SER A 623 -6.933 5.914 18.392 1.00 23.23 H new ATOM 654 N ILE A 624 -7.962 6.424 14.571 1.00 4.23 N ATOM 655 CA ILE A 624 -8.084 7.596 13.737 1.00 63.25 C ATOM 656 C ILE A 624 -7.676 8.852 14.512 1.00 31.02 C ATOM 657 O ILE A 624 -8.049 9.019 15.680 1.00 22.21 O ATOM 658 CB ILE A 624 -9.545 7.765 13.169 1.00 13.31 C ATOM 659 CG1 ILE A 624 -9.905 6.658 12.148 1.00 3.42 C ATOM 660 CG2 ILE A 624 -9.748 9.135 12.541 1.00 70.13 C ATOM 661 CD1 ILE A 624 -9.999 5.251 12.687 1.00 64.42 C ATOM 0 H ILE A 624 -8.751 6.272 15.199 1.00 4.23 H new ATOM 0 HA ILE A 624 -7.411 7.461 12.891 1.00 63.25 H new ATOM 0 HB ILE A 624 -10.217 7.671 14.022 1.00 13.31 H new ATOM 0 HG12 ILE A 624 -10.861 6.913 11.691 1.00 3.42 H new ATOM 0 HG13 ILE A 624 -9.159 6.670 11.354 1.00 3.42 H new ATOM 0 HG21 ILE A 624 -10.767 9.214 12.161 1.00 70.13 H new ATOM 0 HG22 ILE A 624 -9.580 9.908 13.291 1.00 70.13 H new ATOM 0 HG23 ILE A 624 -9.043 9.267 11.720 1.00 70.13 H new ATOM 0 HD11 ILE A 624 -10.257 4.568 11.878 1.00 64.42 H new ATOM 0 HD12 ILE A 624 -9.040 4.961 13.115 1.00 64.42 H new ATOM 0 HD13 ILE A 624 -10.769 5.207 13.458 1.00 64.42 H new ATOM 673 N ILE A 625 -6.902 9.712 13.878 1.00 63.35 N ATOM 674 CA ILE A 625 -6.506 10.969 14.491 1.00 65.51 C ATOM 675 C ILE A 625 -7.516 12.034 14.115 1.00 51.42 C ATOM 676 O ILE A 625 -7.693 12.362 12.934 1.00 32.55 O ATOM 677 CB ILE A 625 -5.061 11.421 14.090 1.00 13.54 C ATOM 678 CG1 ILE A 625 -4.036 10.409 14.605 1.00 62.40 C ATOM 679 CG2 ILE A 625 -4.744 12.824 14.621 1.00 61.32 C ATOM 680 CD1 ILE A 625 -2.619 10.742 14.221 1.00 51.45 C ATOM 0 H ILE A 625 -6.534 9.565 12.938 1.00 63.35 H new ATOM 0 HA ILE A 625 -6.487 10.821 15.571 1.00 65.51 H new ATOM 0 HB ILE A 625 -5.008 11.462 13.002 1.00 13.54 H new ATOM 0 HG12 ILE A 625 -4.106 10.353 15.691 1.00 62.40 H new ATOM 0 HG13 ILE A 625 -4.286 9.421 14.218 1.00 62.40 H new ATOM 0 HG21 ILE A 625 -3.734 13.106 14.324 1.00 61.32 H new ATOM 0 HG22 ILE A 625 -5.456 13.539 14.208 1.00 61.32 H new ATOM 0 HG23 ILE A 625 -4.817 12.826 15.709 1.00 61.32 H new ATOM 0 HD11 ILE A 625 -1.946 9.983 14.619 1.00 51.45 H new ATOM 0 HD12 ILE A 625 -2.533 10.769 13.135 1.00 51.45 H new ATOM 0 HD13 ILE A 625 -2.350 11.716 14.631 1.00 51.45 H new ATOM 692 N ASN A 626 -8.182 12.558 15.105 1.00 54.54 N ATOM 693 CA ASN A 626 -9.217 13.528 14.871 1.00 31.34 C ATOM 694 C ASN A 626 -8.615 14.855 14.501 1.00 41.24 C ATOM 695 O ASN A 626 -7.794 15.412 15.242 1.00 25.12 O ATOM 696 CB ASN A 626 -10.160 13.651 16.065 1.00 62.12 C ATOM 697 CG ASN A 626 -10.820 12.329 16.405 1.00 70.10 C ATOM 698 OD1 ASN A 626 -10.320 11.561 17.237 1.00 33.15 O ATOM 699 ND2 ASN A 626 -11.930 12.038 15.772 1.00 43.22 N ATOM 0 H ASN A 626 -8.026 12.329 16.087 1.00 54.54 H new ATOM 0 HA ASN A 626 -9.820 13.182 14.032 1.00 31.34 H new ATOM 0 HB2 ASN A 626 -9.604 14.012 16.930 1.00 62.12 H new ATOM 0 HB3 ASN A 626 -10.927 14.394 15.846 1.00 62.12 H new ATOM 0 HD21 ASN A 626 -12.408 11.157 15.959 1.00 43.22 H new ATOM 0 HD22 ASN A 626 -12.316 12.693 15.092 1.00 43.22 H new ATOM 706 N GLY A 627 -8.996 15.341 13.360 1.00 14.42 N ATOM 707 CA GLY A 627 -8.443 16.558 12.845 1.00 50.34 C ATOM 708 C GLY A 627 -7.700 16.288 11.568 1.00 35.35 C ATOM 709 O GLY A 627 -7.421 17.193 10.801 1.00 11.54 O ATOM 0 H GLY A 627 -9.697 14.907 12.760 1.00 14.42 H new ATOM 0 HA2 GLY A 627 -9.239 17.281 12.666 1.00 50.34 H new ATOM 0 HA3 GLY A 627 -7.770 17.000 13.580 1.00 50.34 H new ATOM 713 N GLY A 628 -7.388 15.016 11.346 1.00 74.23 N ATOM 714 CA GLY A 628 -6.705 14.613 10.147 1.00 51.41 C ATOM 715 C GLY A 628 -7.615 14.697 8.944 1.00 40.12 C ATOM 716 O GLY A 628 -8.825 14.431 9.047 1.00 73.12 O ATOM 0 H GLY A 628 -7.602 14.254 11.989 1.00 74.23 H new ATOM 0 HA2 GLY A 628 -5.833 15.248 9.991 1.00 51.41 H new ATOM 0 HA3 GLY A 628 -6.340 13.592 10.259 1.00 51.41 H new ATOM 720 N ALA A 629 -7.052 15.040 7.809 1.00 64.11 N ATOM 721 CA ALA A 629 -7.828 15.217 6.595 1.00 61.12 C ATOM 722 C ALA A 629 -8.407 13.900 6.109 1.00 3.44 C ATOM 723 O ALA A 629 -9.481 13.869 5.509 1.00 51.45 O ATOM 724 CB ALA A 629 -6.996 15.871 5.517 1.00 11.41 C ATOM 0 H ALA A 629 -6.052 15.204 7.697 1.00 64.11 H new ATOM 0 HA ALA A 629 -8.663 15.877 6.829 1.00 61.12 H new ATOM 0 HB1 ALA A 629 -7.598 15.994 4.617 1.00 11.41 H new ATOM 0 HB2 ALA A 629 -6.656 16.848 5.862 1.00 11.41 H new ATOM 0 HB3 ALA A 629 -6.133 15.244 5.293 1.00 11.41 H new ATOM 730 N ALA A 630 -7.704 12.805 6.391 1.00 60.14 N ATOM 731 CA ALA A 630 -8.165 11.477 5.994 1.00 52.32 C ATOM 732 C ALA A 630 -9.426 11.123 6.701 1.00 12.43 C ATOM 733 O ALA A 630 -10.249 10.373 6.190 1.00 72.23 O ATOM 734 CB ALA A 630 -7.112 10.428 6.259 1.00 50.43 C ATOM 0 H ALA A 630 -6.815 12.811 6.892 1.00 60.14 H new ATOM 0 HA ALA A 630 -8.358 11.504 4.922 1.00 52.32 H new ATOM 0 HB1 ALA A 630 -7.486 9.451 5.953 1.00 50.43 H new ATOM 0 HB2 ALA A 630 -6.211 10.665 5.693 1.00 50.43 H new ATOM 0 HB3 ALA A 630 -6.877 10.409 7.323 1.00 50.43 H new ATOM 740 N SER A 631 -9.591 11.679 7.851 1.00 74.15 N ATOM 741 CA SER A 631 -10.744 11.411 8.637 1.00 22.41 C ATOM 742 C SER A 631 -11.934 12.196 8.092 1.00 11.45 C ATOM 743 O SER A 631 -13.036 11.654 7.958 1.00 73.02 O ATOM 744 CB SER A 631 -10.485 11.748 10.107 1.00 15.53 C ATOM 745 OG SER A 631 -11.599 11.406 10.916 1.00 62.53 O ATOM 0 H SER A 631 -8.931 12.332 8.273 1.00 74.15 H new ATOM 0 HA SER A 631 -10.976 10.347 8.579 1.00 22.41 H new ATOM 0 HB2 SER A 631 -9.602 11.213 10.455 1.00 15.53 H new ATOM 0 HB3 SER A 631 -10.273 12.812 10.207 1.00 15.53 H new ATOM 0 HG SER A 631 -11.406 11.630 11.850 1.00 62.53 H new ATOM 751 N LYS A 632 -11.704 13.455 7.745 1.00 11.13 N ATOM 752 CA LYS A 632 -12.784 14.292 7.266 1.00 40.53 C ATOM 753 C LYS A 632 -13.187 13.936 5.840 1.00 21.21 C ATOM 754 O LYS A 632 -14.365 13.666 5.568 1.00 54.13 O ATOM 755 CB LYS A 632 -12.366 15.764 7.292 1.00 32.04 C ATOM 756 CG LYS A 632 -11.984 16.304 8.654 1.00 24.34 C ATOM 757 CD LYS A 632 -11.618 17.773 8.562 1.00 54.22 C ATOM 758 CE LYS A 632 -11.267 18.347 9.916 1.00 64.25 C ATOM 759 NZ LYS A 632 -10.952 19.784 9.840 1.00 45.31 N ATOM 0 H LYS A 632 -10.792 13.910 7.787 1.00 11.13 H new ATOM 0 HA LYS A 632 -13.633 14.123 7.928 1.00 40.53 H new ATOM 0 HB2 LYS A 632 -11.521 15.897 6.617 1.00 32.04 H new ATOM 0 HB3 LYS A 632 -13.186 16.365 6.898 1.00 32.04 H new ATOM 0 HG2 LYS A 632 -12.814 16.173 9.349 1.00 24.34 H new ATOM 0 HG3 LYS A 632 -11.142 15.738 9.053 1.00 24.34 H new ATOM 0 HD2 LYS A 632 -10.773 17.896 7.884 1.00 54.22 H new ATOM 0 HD3 LYS A 632 -12.452 18.330 8.136 1.00 54.22 H new ATOM 0 HE2 LYS A 632 -12.100 18.194 10.602 1.00 64.25 H new ATOM 0 HE3 LYS A 632 -10.413 17.810 10.327 1.00 64.25 H new ATOM 0 HZ1 LYS A 632 -11.242 20.250 10.723 1.00 45.31 H new ATOM 0 HZ2 LYS A 632 -9.929 19.908 9.702 1.00 45.31 H new ATOM 0 HZ3 LYS A 632 -11.463 20.210 9.040 1.00 45.31 H new ATOM 773 N ASP A 633 -12.215 13.906 4.938 1.00 71.14 N ATOM 774 CA ASP A 633 -12.513 13.682 3.530 1.00 70.01 C ATOM 775 C ASP A 633 -12.725 12.212 3.225 1.00 41.51 C ATOM 776 O ASP A 633 -13.756 11.819 2.673 1.00 1.13 O ATOM 777 CB ASP A 633 -11.400 14.243 2.627 1.00 64.42 C ATOM 778 CG ASP A 633 -11.766 14.216 1.143 1.00 64.53 C ATOM 779 OD1 ASP A 633 -11.871 13.133 0.554 1.00 72.25 O ATOM 780 OD2 ASP A 633 -11.936 15.293 0.546 1.00 52.02 O ATOM 0 H ASP A 633 -11.226 14.032 5.152 1.00 71.14 H new ATOM 0 HA ASP A 633 -13.441 14.213 3.319 1.00 70.01 H new ATOM 0 HB2 ASP A 633 -11.182 15.269 2.923 1.00 64.42 H new ATOM 0 HB3 ASP A 633 -10.488 13.666 2.782 1.00 64.42 H new ATOM 785 N GLY A 634 -11.763 11.399 3.625 1.00 51.42 N ATOM 786 CA GLY A 634 -11.781 10.009 3.238 1.00 64.34 C ATOM 787 C GLY A 634 -12.717 9.165 4.044 1.00 71.02 C ATOM 788 O GLY A 634 -13.479 8.395 3.469 1.00 24.13 O ATOM 0 H GLY A 634 -10.973 11.676 4.208 1.00 51.42 H new ATOM 0 HA2 GLY A 634 -12.059 9.939 2.186 1.00 64.34 H new ATOM 0 HA3 GLY A 634 -10.773 9.604 3.329 1.00 64.34 H new ATOM 792 N ARG A 635 -12.713 9.364 5.367 1.00 42.11 N ATOM 793 CA ARG A 635 -13.533 8.582 6.315 1.00 5.14 C ATOM 794 C ARG A 635 -13.040 7.145 6.359 1.00 23.22 C ATOM 795 O ARG A 635 -13.461 6.291 5.578 1.00 13.43 O ATOM 796 CB ARG A 635 -15.003 8.611 5.940 1.00 33.43 C ATOM 797 CG ARG A 635 -15.598 9.992 5.849 1.00 25.04 C ATOM 798 CD ARG A 635 -16.711 9.966 4.849 1.00 72.31 C ATOM 799 NE ARG A 635 -16.176 9.518 3.550 1.00 41.25 N ATOM 800 CZ ARG A 635 -16.854 9.453 2.399 1.00 71.51 C ATOM 801 NH1 ARG A 635 -18.150 9.742 2.370 1.00 32.52 N ATOM 802 NH2 ARG A 635 -16.229 9.086 1.278 1.00 60.54 N ATOM 0 H ARG A 635 -12.139 10.076 5.819 1.00 42.11 H new ATOM 0 HA ARG A 635 -13.431 9.037 7.300 1.00 5.14 H new ATOM 0 HB2 ARG A 635 -15.130 8.111 4.980 1.00 33.43 H new ATOM 0 HB3 ARG A 635 -15.564 8.035 6.676 1.00 33.43 H new ATOM 0 HG2 ARG A 635 -15.972 10.308 6.823 1.00 25.04 H new ATOM 0 HG3 ARG A 635 -14.837 10.713 5.550 1.00 25.04 H new ATOM 0 HD2 ARG A 635 -17.502 9.294 5.183 1.00 72.31 H new ATOM 0 HD3 ARG A 635 -17.154 10.957 4.752 1.00 72.31 H new ATOM 0 HE ARG A 635 -15.198 9.231 3.527 1.00 41.25 H new ATOM 0 HH11 ARG A 635 -18.631 10.014 3.227 1.00 32.52 H new ATOM 0 HH12 ARG A 635 -18.664 9.691 1.491 1.00 32.52 H new ATOM 0 HH21 ARG A 635 -15.236 8.856 1.300 1.00 60.54 H new ATOM 0 HH22 ARG A 635 -16.745 9.036 0.399 1.00 60.54 H new ATOM 816 N LEU A 636 -12.124 6.907 7.223 1.00 62.03 N ATOM 817 CA LEU A 636 -11.533 5.589 7.379 1.00 23.25 C ATOM 818 C LEU A 636 -12.128 4.873 8.571 1.00 41.24 C ATOM 819 O LEU A 636 -12.972 5.435 9.299 1.00 31.54 O ATOM 820 CB LEU A 636 -10.014 5.692 7.513 1.00 34.55 C ATOM 821 CG LEU A 636 -9.257 6.169 6.272 1.00 74.25 C ATOM 822 CD1 LEU A 636 -7.808 6.411 6.615 1.00 32.32 C ATOM 823 CD2 LEU A 636 -9.343 5.129 5.167 1.00 24.01 C ATOM 0 H LEU A 636 -11.746 7.612 7.856 1.00 62.03 H new ATOM 0 HA LEU A 636 -11.758 5.006 6.486 1.00 23.25 H new ATOM 0 HB2 LEU A 636 -9.788 6.372 8.334 1.00 34.55 H new ATOM 0 HB3 LEU A 636 -9.628 4.712 7.794 1.00 34.55 H new ATOM 0 HG LEU A 636 -9.712 7.097 5.926 1.00 74.25 H new ATOM 0 HD11 LEU A 636 -7.276 6.750 5.726 1.00 32.32 H new ATOM 0 HD12 LEU A 636 -7.740 7.173 7.392 1.00 32.32 H new ATOM 0 HD13 LEU A 636 -7.360 5.485 6.975 1.00 32.32 H new ATOM 0 HD21 LEU A 636 -8.800 5.483 4.291 1.00 24.01 H new ATOM 0 HD22 LEU A 636 -8.904 4.193 5.513 1.00 24.01 H new ATOM 0 HD23 LEU A 636 -10.388 4.964 4.904 1.00 24.01 H new ATOM 835 N ARG A 637 -11.712 3.648 8.777 1.00 4.54 N ATOM 836 CA ARG A 637 -12.215 2.860 9.882 1.00 43.01 C ATOM 837 C ARG A 637 -11.135 2.040 10.523 1.00 11.41 C ATOM 838 O ARG A 637 -10.123 1.761 9.921 1.00 11.35 O ATOM 839 CB ARG A 637 -13.470 1.996 9.512 1.00 52.31 C ATOM 840 CG ARG A 637 -13.344 0.942 8.380 1.00 34.31 C ATOM 841 CD ARG A 637 -12.911 1.558 7.066 1.00 51.14 C ATOM 842 NE ARG A 637 -13.601 0.988 5.898 1.00 10.23 N ATOM 843 CZ ARG A 637 -13.257 1.222 4.627 1.00 55.44 C ATOM 844 NH1 ARG A 637 -12.057 1.656 4.328 1.00 4.43 N ATOM 845 NH2 ARG A 637 -14.107 0.946 3.649 1.00 51.32 N ATOM 0 H ARG A 637 -11.024 3.171 8.194 1.00 4.54 H new ATOM 0 HA ARG A 637 -12.562 3.578 10.625 1.00 43.01 H new ATOM 0 HB2 ARG A 637 -13.790 1.475 10.414 1.00 52.31 H new ATOM 0 HB3 ARG A 637 -14.273 2.680 9.238 1.00 52.31 H new ATOM 0 HG2 ARG A 637 -12.624 0.179 8.676 1.00 34.31 H new ATOM 0 HG3 ARG A 637 -14.302 0.441 8.245 1.00 34.31 H new ATOM 0 HD2 ARG A 637 -13.094 2.632 7.099 1.00 51.14 H new ATOM 0 HD3 ARG A 637 -11.836 1.422 6.946 1.00 51.14 H new ATOM 0 HE ARG A 637 -14.396 0.372 6.069 1.00 10.23 H new ATOM 0 HH11 ARG A 637 -11.374 1.819 5.068 1.00 4.43 H new ATOM 0 HH12 ARG A 637 -11.806 1.831 3.355 1.00 4.43 H new ATOM 0 HH21 ARG A 637 -15.024 0.555 3.865 1.00 51.32 H new ATOM 0 HH22 ARG A 637 -13.845 1.125 2.680 1.00 51.32 H new ATOM 859 N VAL A 638 -11.346 1.704 11.753 1.00 61.12 N ATOM 860 CA VAL A 638 -10.409 0.895 12.517 1.00 25.12 C ATOM 861 C VAL A 638 -10.402 -0.533 11.995 1.00 74.41 C ATOM 862 O VAL A 638 -11.458 -1.083 11.683 1.00 34.43 O ATOM 863 CB VAL A 638 -10.746 0.905 14.044 1.00 54.21 C ATOM 864 CG1 VAL A 638 -9.790 0.015 14.834 1.00 33.15 C ATOM 865 CG2 VAL A 638 -10.695 2.319 14.589 1.00 63.31 C ATOM 0 H VAL A 638 -12.178 1.978 12.276 1.00 61.12 H new ATOM 0 HA VAL A 638 -9.418 1.332 12.392 1.00 25.12 H new ATOM 0 HB VAL A 638 -11.755 0.509 14.159 1.00 54.21 H new ATOM 0 HG11 VAL A 638 -10.054 0.046 15.891 1.00 33.15 H new ATOM 0 HG12 VAL A 638 -9.864 -1.010 14.471 1.00 33.15 H new ATOM 0 HG13 VAL A 638 -8.769 0.373 14.704 1.00 33.15 H new ATOM 0 HG21 VAL A 638 -10.932 2.308 15.653 1.00 63.31 H new ATOM 0 HG22 VAL A 638 -9.695 2.729 14.444 1.00 63.31 H new ATOM 0 HG23 VAL A 638 -11.421 2.938 14.062 1.00 63.31 H new ATOM 875 N ASN A 639 -9.196 -1.101 11.892 1.00 51.01 N ATOM 876 CA ASN A 639 -8.943 -2.487 11.414 1.00 42.32 C ATOM 877 C ASN A 639 -9.101 -2.570 9.873 1.00 12.32 C ATOM 878 O ASN A 639 -9.199 -3.649 9.284 1.00 21.51 O ATOM 879 CB ASN A 639 -9.833 -3.528 12.165 1.00 2.42 C ATOM 880 CG ASN A 639 -9.431 -4.994 11.933 1.00 23.24 C ATOM 881 OD1 ASN A 639 -10.276 -5.893 11.939 1.00 2.24 O ATOM 882 ND2 ASN A 639 -8.146 -5.256 11.783 1.00 42.31 N ATOM 0 H ASN A 639 -8.339 -0.607 12.142 1.00 51.01 H new ATOM 0 HA ASN A 639 -7.911 -2.747 11.649 1.00 42.32 H new ATOM 0 HB2 ASN A 639 -9.793 -3.318 13.234 1.00 2.42 H new ATOM 0 HB3 ASN A 639 -10.869 -3.394 11.853 1.00 2.42 H new ATOM 0 HD21 ASN A 639 -7.832 -6.220 11.669 1.00 42.31 H new ATOM 0 HD22 ASN A 639 -7.467 -4.495 11.782 1.00 42.31 H new ATOM 889 N ASP A 640 -9.078 -1.404 9.251 1.00 73.21 N ATOM 890 CA ASP A 640 -9.124 -1.252 7.788 1.00 62.12 C ATOM 891 C ASP A 640 -7.733 -1.572 7.245 1.00 63.33 C ATOM 892 O ASP A 640 -6.743 -1.133 7.823 1.00 0.25 O ATOM 893 CB ASP A 640 -9.470 0.190 7.494 1.00 24.31 C ATOM 894 CG ASP A 640 -9.681 0.523 6.051 1.00 45.02 C ATOM 895 OD1 ASP A 640 -9.705 -0.384 5.203 1.00 42.40 O ATOM 896 OD2 ASP A 640 -9.886 1.730 5.765 1.00 71.54 O ATOM 0 H ASP A 640 -9.026 -0.515 9.748 1.00 73.21 H new ATOM 0 HA ASP A 640 -9.860 -1.913 7.330 1.00 62.12 H new ATOM 0 HB2 ASP A 640 -10.375 0.447 8.044 1.00 24.31 H new ATOM 0 HB3 ASP A 640 -8.671 0.823 7.881 1.00 24.31 H new ATOM 901 N GLN A 641 -7.642 -2.310 6.168 1.00 63.32 N ATOM 902 CA GLN A 641 -6.350 -2.793 5.697 1.00 54.33 C ATOM 903 C GLN A 641 -5.815 -1.907 4.544 1.00 1.33 C ATOM 904 O GLN A 641 -6.392 -1.858 3.463 1.00 53.41 O ATOM 905 CB GLN A 641 -6.493 -4.288 5.290 1.00 21.50 C ATOM 906 CG GLN A 641 -5.199 -5.133 5.273 1.00 11.24 C ATOM 907 CD GLN A 641 -4.201 -4.778 4.216 1.00 52.00 C ATOM 908 OE1 GLN A 641 -4.233 -5.323 3.127 1.00 55.13 O ATOM 909 NE2 GLN A 641 -3.311 -3.895 4.526 1.00 34.45 N ATOM 0 H GLN A 641 -8.438 -2.594 5.597 1.00 63.32 H new ATOM 0 HA GLN A 641 -5.610 -2.726 6.495 1.00 54.33 H new ATOM 0 HB2 GLN A 641 -7.198 -4.760 5.974 1.00 21.50 H new ATOM 0 HB3 GLN A 641 -6.938 -4.328 4.296 1.00 21.50 H new ATOM 0 HG2 GLN A 641 -4.716 -5.043 6.246 1.00 11.24 H new ATOM 0 HG3 GLN A 641 -5.474 -6.181 5.149 1.00 11.24 H new ATOM 0 HE21 GLN A 641 -3.321 -3.463 5.450 1.00 34.45 H new ATOM 0 HE22 GLN A 641 -2.598 -3.629 3.847 1.00 34.45 H new ATOM 918 N LEU A 642 -4.708 -1.220 4.813 1.00 32.41 N ATOM 919 CA LEU A 642 -4.052 -0.299 3.868 1.00 50.20 C ATOM 920 C LEU A 642 -3.304 -1.062 2.758 1.00 40.13 C ATOM 921 O LEU A 642 -2.378 -1.842 3.027 1.00 35.34 O ATOM 922 CB LEU A 642 -3.088 0.685 4.603 1.00 42.20 C ATOM 923 CG LEU A 642 -3.690 1.723 5.559 1.00 13.53 C ATOM 924 CD1 LEU A 642 -4.344 1.069 6.756 1.00 61.24 C ATOM 925 CD2 LEU A 642 -2.613 2.680 6.013 1.00 35.11 C ATOM 0 H LEU A 642 -4.226 -1.284 5.710 1.00 32.41 H new ATOM 0 HA LEU A 642 -4.841 0.289 3.398 1.00 50.20 H new ATOM 0 HB2 LEU A 642 -2.374 0.088 5.170 1.00 42.20 H new ATOM 0 HB3 LEU A 642 -2.522 1.223 3.843 1.00 42.20 H new ATOM 0 HG LEU A 642 -4.464 2.270 5.020 1.00 13.53 H new ATOM 0 HD11 LEU A 642 -4.758 1.837 7.409 1.00 61.24 H new ATOM 0 HD12 LEU A 642 -5.144 0.410 6.419 1.00 61.24 H new ATOM 0 HD13 LEU A 642 -3.602 0.488 7.304 1.00 61.24 H new ATOM 0 HD21 LEU A 642 -3.043 3.416 6.692 1.00 35.11 H new ATOM 0 HD22 LEU A 642 -1.828 2.126 6.528 1.00 35.11 H new ATOM 0 HD23 LEU A 642 -2.190 3.189 5.147 1.00 35.11 H new ATOM 937 N ILE A 643 -3.694 -0.811 1.526 1.00 64.13 N ATOM 938 CA ILE A 643 -3.194 -1.546 0.360 1.00 53.15 C ATOM 939 C ILE A 643 -2.126 -0.765 -0.393 1.00 55.50 C ATOM 940 O ILE A 643 -1.026 -1.275 -0.670 1.00 0.20 O ATOM 941 CB ILE A 643 -4.356 -1.784 -0.629 1.00 30.31 C ATOM 942 CG1 ILE A 643 -5.530 -2.444 0.077 1.00 12.33 C ATOM 943 CG2 ILE A 643 -3.904 -2.622 -1.833 1.00 1.02 C ATOM 944 CD1 ILE A 643 -5.236 -3.814 0.616 1.00 65.55 C ATOM 0 H ILE A 643 -4.373 -0.086 1.293 1.00 64.13 H new ATOM 0 HA ILE A 643 -2.769 -2.479 0.729 1.00 53.15 H new ATOM 0 HB ILE A 643 -4.679 -0.813 -1.005 1.00 30.31 H new ATOM 0 HG12 ILE A 643 -5.851 -1.804 0.899 1.00 12.33 H new ATOM 0 HG13 ILE A 643 -6.366 -2.512 -0.619 1.00 12.33 H new ATOM 0 HG21 ILE A 643 -4.746 -2.771 -2.509 1.00 1.02 H new ATOM 0 HG22 ILE A 643 -3.104 -2.101 -2.359 1.00 1.02 H new ATOM 0 HG23 ILE A 643 -3.541 -3.590 -1.487 1.00 1.02 H new ATOM 0 HD11 ILE A 643 -6.126 -4.212 1.103 1.00 65.55 H new ATOM 0 HD12 ILE A 643 -4.946 -4.472 -0.203 1.00 65.55 H new ATOM 0 HD13 ILE A 643 -4.423 -3.754 1.339 1.00 65.55 H new ATOM 956 N ALA A 644 -2.458 0.454 -0.748 1.00 54.15 N ATOM 957 CA ALA A 644 -1.587 1.257 -1.573 1.00 64.43 C ATOM 958 C ALA A 644 -1.520 2.686 -1.084 1.00 53.12 C ATOM 959 O ALA A 644 -2.449 3.174 -0.429 1.00 63.32 O ATOM 960 CB ALA A 644 -2.064 1.215 -3.010 1.00 62.15 C ATOM 0 H ALA A 644 -3.328 0.912 -0.477 1.00 54.15 H new ATOM 0 HA ALA A 644 -0.581 0.841 -1.511 1.00 64.43 H new ATOM 0 HB1 ALA A 644 -1.405 1.822 -3.630 1.00 62.15 H new ATOM 0 HB2 ALA A 644 -2.052 0.185 -3.367 1.00 62.15 H new ATOM 0 HB3 ALA A 644 -3.079 1.607 -3.068 1.00 62.15 H new ATOM 966 N VAL A 645 -0.433 3.348 -1.428 1.00 53.41 N ATOM 967 CA VAL A 645 -0.166 4.709 -1.032 1.00 42.42 C ATOM 968 C VAL A 645 0.383 5.527 -2.222 1.00 33.15 C ATOM 969 O VAL A 645 1.368 5.155 -2.838 1.00 53.44 O ATOM 970 CB VAL A 645 0.840 4.764 0.167 1.00 4.23 C ATOM 971 CG1 VAL A 645 2.158 4.068 -0.165 1.00 11.15 C ATOM 972 CG2 VAL A 645 1.086 6.200 0.597 1.00 52.41 C ATOM 0 H VAL A 645 0.304 2.941 -2.004 1.00 53.41 H new ATOM 0 HA VAL A 645 -1.109 5.149 -0.708 1.00 42.42 H new ATOM 0 HB VAL A 645 0.386 4.224 0.998 1.00 4.23 H new ATOM 0 HG11 VAL A 645 2.828 4.129 0.693 1.00 11.15 H new ATOM 0 HG12 VAL A 645 1.967 3.022 -0.403 1.00 11.15 H new ATOM 0 HG13 VAL A 645 2.621 4.556 -1.022 1.00 11.15 H new ATOM 0 HG21 VAL A 645 1.788 6.215 1.431 1.00 52.41 H new ATOM 0 HG22 VAL A 645 1.503 6.764 -0.238 1.00 52.41 H new ATOM 0 HG23 VAL A 645 0.144 6.653 0.907 1.00 52.41 H new ATOM 982 N ASN A 646 -0.290 6.627 -2.536 1.00 51.31 N ATOM 983 CA ASN A 646 0.109 7.557 -3.623 1.00 25.22 C ATOM 984 C ASN A 646 0.357 6.896 -4.965 1.00 32.24 C ATOM 985 O ASN A 646 1.116 7.410 -5.787 1.00 53.41 O ATOM 986 CB ASN A 646 1.298 8.410 -3.189 1.00 52.23 C ATOM 987 CG ASN A 646 0.863 9.450 -2.201 1.00 15.34 C ATOM 988 OD1 ASN A 646 -0.250 9.937 -2.279 1.00 63.33 O ATOM 989 ND2 ASN A 646 1.699 9.787 -1.268 1.00 13.22 N ATOM 0 H ASN A 646 -1.138 6.915 -2.048 1.00 51.31 H new ATOM 0 HA ASN A 646 -0.754 8.201 -3.791 1.00 25.22 H new ATOM 0 HB2 ASN A 646 2.065 7.776 -2.745 1.00 52.23 H new ATOM 0 HB3 ASN A 646 1.746 8.891 -4.059 1.00 52.23 H new ATOM 0 HD21 ASN A 646 1.431 10.481 -0.570 1.00 13.22 H new ATOM 0 HD22 ASN A 646 2.624 9.358 -1.233 1.00 13.22 H new ATOM 996 N GLY A 647 -0.329 5.799 -5.214 1.00 24.11 N ATOM 997 CA GLY A 647 -0.161 5.092 -6.466 1.00 71.45 C ATOM 998 C GLY A 647 0.770 3.902 -6.346 1.00 35.32 C ATOM 999 O GLY A 647 0.835 3.057 -7.250 1.00 11.00 O ATOM 0 H GLY A 647 -1.002 5.381 -4.572 1.00 24.11 H new ATOM 0 HA2 GLY A 647 -1.134 4.752 -6.820 1.00 71.45 H new ATOM 0 HA3 GLY A 647 0.229 5.779 -7.217 1.00 71.45 H new ATOM 1003 N GLU A 648 1.491 3.829 -5.250 1.00 71.12 N ATOM 1004 CA GLU A 648 2.395 2.741 -5.010 1.00 2.20 C ATOM 1005 C GLU A 648 1.656 1.668 -4.212 1.00 14.41 C ATOM 1006 O GLU A 648 1.113 1.952 -3.148 1.00 1.11 O ATOM 1007 CB GLU A 648 3.602 3.258 -4.206 1.00 73.11 C ATOM 1008 CG GLU A 648 4.660 2.214 -3.898 1.00 10.41 C ATOM 1009 CD GLU A 648 5.340 1.690 -5.135 1.00 21.03 C ATOM 1010 OE1 GLU A 648 4.792 0.786 -5.791 1.00 0.33 O ATOM 1011 OE2 GLU A 648 6.448 2.171 -5.463 1.00 52.31 O ATOM 0 H GLU A 648 1.463 4.524 -4.504 1.00 71.12 H new ATOM 0 HA GLU A 648 2.749 2.321 -5.951 1.00 2.20 H new ATOM 0 HB2 GLU A 648 4.067 4.073 -4.761 1.00 73.11 H new ATOM 0 HB3 GLU A 648 3.242 3.677 -3.266 1.00 73.11 H new ATOM 0 HG2 GLU A 648 5.408 2.646 -3.233 1.00 10.41 H new ATOM 0 HG3 GLU A 648 4.200 1.384 -3.363 1.00 10.41 H new ATOM 1018 N SER A 649 1.642 0.466 -4.710 1.00 44.50 N ATOM 1019 CA SER A 649 0.977 -0.621 -4.036 1.00 50.15 C ATOM 1020 C SER A 649 2.000 -1.433 -3.260 1.00 72.52 C ATOM 1021 O SER A 649 3.035 -1.825 -3.806 1.00 33.31 O ATOM 1022 CB SER A 649 0.242 -1.483 -5.054 1.00 52.12 C ATOM 1023 OG SER A 649 -0.684 -0.694 -5.790 1.00 2.03 O ATOM 0 H SER A 649 2.088 0.208 -5.590 1.00 44.50 H new ATOM 0 HA SER A 649 0.242 -0.231 -3.332 1.00 50.15 H new ATOM 0 HB2 SER A 649 0.958 -1.945 -5.734 1.00 52.12 H new ATOM 0 HB3 SER A 649 -0.282 -2.292 -4.545 1.00 52.12 H new ATOM 0 HG SER A 649 -1.149 -1.259 -6.442 1.00 2.03 H new ATOM 1029 N LEU A 650 1.733 -1.685 -2.000 1.00 42.42 N ATOM 1030 CA LEU A 650 2.715 -2.351 -1.169 1.00 3.42 C ATOM 1031 C LEU A 650 2.178 -3.594 -0.485 1.00 60.23 C ATOM 1032 O LEU A 650 2.854 -4.156 0.386 1.00 13.43 O ATOM 1033 CB LEU A 650 3.331 -1.404 -0.114 1.00 63.43 C ATOM 1034 CG LEU A 650 2.381 -0.774 0.929 1.00 54.23 C ATOM 1035 CD1 LEU A 650 3.190 -0.182 2.036 1.00 75.23 C ATOM 1036 CD2 LEU A 650 1.538 0.322 0.316 1.00 50.40 C ATOM 0 H LEU A 650 0.860 -1.445 -1.531 1.00 42.42 H new ATOM 0 HA LEU A 650 3.497 -2.664 -1.861 1.00 3.42 H new ATOM 0 HB2 LEU A 650 4.100 -1.957 0.425 1.00 63.43 H new ATOM 0 HB3 LEU A 650 3.833 -0.594 -0.643 1.00 63.43 H new ATOM 0 HG LEU A 650 1.722 -1.558 1.302 1.00 54.23 H new ATOM 0 HD11 LEU A 650 2.524 0.264 2.775 1.00 75.23 H new ATOM 0 HD12 LEU A 650 3.786 -0.963 2.509 1.00 75.23 H new ATOM 0 HD13 LEU A 650 3.851 0.585 1.633 1.00 75.23 H new ATOM 0 HD21 LEU A 650 0.881 0.744 1.076 1.00 50.40 H new ATOM 0 HD22 LEU A 650 2.188 1.104 -0.077 1.00 50.40 H new ATOM 0 HD23 LEU A 650 0.937 -0.091 -0.494 1.00 50.40 H new ATOM 1048 N LEU A 651 1.000 -4.050 -0.869 1.00 45.03 N ATOM 1049 CA LEU A 651 0.473 -5.256 -0.262 1.00 22.42 C ATOM 1050 C LEU A 651 1.150 -6.484 -0.858 1.00 24.31 C ATOM 1051 O LEU A 651 0.675 -7.071 -1.835 1.00 24.42 O ATOM 1052 CB LEU A 651 -1.056 -5.364 -0.364 1.00 51.21 C ATOM 1053 CG LEU A 651 -1.672 -6.621 0.266 1.00 33.01 C ATOM 1054 CD1 LEU A 651 -1.427 -6.658 1.771 1.00 64.42 C ATOM 1055 CD2 LEU A 651 -3.148 -6.720 -0.048 1.00 20.52 C ATOM 0 H LEU A 651 0.406 -3.619 -1.577 1.00 45.03 H new ATOM 0 HA LEU A 651 0.701 -5.202 0.803 1.00 22.42 H new ATOM 0 HB2 LEU A 651 -1.497 -4.487 0.110 1.00 51.21 H new ATOM 0 HB3 LEU A 651 -1.336 -5.332 -1.417 1.00 51.21 H new ATOM 0 HG LEU A 651 -1.179 -7.489 -0.173 1.00 33.01 H new ATOM 0 HD11 LEU A 651 -1.874 -7.559 2.190 1.00 64.42 H new ATOM 0 HD12 LEU A 651 -0.354 -6.661 1.965 1.00 64.42 H new ATOM 0 HD13 LEU A 651 -1.877 -5.780 2.235 1.00 64.42 H new ATOM 0 HD21 LEU A 651 -3.558 -7.620 0.411 1.00 20.52 H new ATOM 0 HD22 LEU A 651 -3.663 -5.844 0.346 1.00 20.52 H new ATOM 0 HD23 LEU A 651 -3.288 -6.767 -1.128 1.00 20.52 H new ATOM 1067 N GLY A 652 2.292 -6.802 -0.315 1.00 31.11 N ATOM 1068 CA GLY A 652 3.053 -7.940 -0.750 1.00 54.24 C ATOM 1069 C GLY A 652 4.433 -7.922 -0.145 1.00 42.00 C ATOM 1070 O GLY A 652 5.412 -8.272 -0.797 1.00 40.55 O ATOM 0 H GLY A 652 2.723 -6.277 0.445 1.00 31.11 H new ATOM 0 HA2 GLY A 652 2.538 -8.858 -0.466 1.00 54.24 H new ATOM 0 HA3 GLY A 652 3.127 -7.940 -1.837 1.00 54.24 H new ATOM 1074 N LYS A 653 4.505 -7.471 1.091 1.00 10.14 N ATOM 1075 CA LYS A 653 5.731 -7.416 1.850 1.00 31.42 C ATOM 1076 C LYS A 653 5.391 -7.352 3.325 1.00 24.23 C ATOM 1077 O LYS A 653 4.224 -7.112 3.674 1.00 61.13 O ATOM 1078 CB LYS A 653 6.615 -6.224 1.421 1.00 20.15 C ATOM 1079 CG LYS A 653 5.908 -4.867 1.407 1.00 30.45 C ATOM 1080 CD LYS A 653 6.872 -3.719 1.066 1.00 73.33 C ATOM 1081 CE LYS A 653 7.607 -3.932 -0.261 1.00 5.33 C ATOM 1082 NZ LYS A 653 6.688 -4.037 -1.417 1.00 74.34 N ATOM 0 H LYS A 653 3.694 -7.126 1.604 1.00 10.14 H new ATOM 0 HA LYS A 653 6.313 -8.316 1.653 1.00 31.42 H new ATOM 0 HB2 LYS A 653 7.470 -6.164 2.094 1.00 20.15 H new ATOM 0 HB3 LYS A 653 7.008 -6.423 0.424 1.00 20.15 H new ATOM 0 HG2 LYS A 653 5.097 -4.888 0.679 1.00 30.45 H new ATOM 0 HG3 LYS A 653 5.456 -4.684 2.382 1.00 30.45 H new ATOM 0 HD2 LYS A 653 6.314 -2.784 1.020 1.00 73.33 H new ATOM 0 HD3 LYS A 653 7.603 -3.615 1.868 1.00 73.33 H new ATOM 0 HE2 LYS A 653 8.297 -3.104 -0.426 1.00 5.33 H new ATOM 0 HE3 LYS A 653 8.207 -4.839 -0.197 1.00 5.33 H new ATOM 0 HZ1 LYS A 653 7.240 -4.163 -2.289 1.00 74.34 H new ATOM 0 HZ2 LYS A 653 6.057 -4.853 -1.286 1.00 74.34 H new ATOM 0 HZ3 LYS A 653 6.120 -3.168 -1.489 1.00 74.34 H new ATOM 1096 N ALA A 654 6.383 -7.562 4.176 1.00 35.32 N ATOM 1097 CA ALA A 654 6.183 -7.572 5.622 1.00 13.50 C ATOM 1098 C ALA A 654 5.743 -6.210 6.137 1.00 3.22 C ATOM 1099 O ALA A 654 6.003 -5.188 5.498 1.00 31.32 O ATOM 1100 CB ALA A 654 7.449 -8.020 6.329 1.00 74.53 C ATOM 0 H ALA A 654 7.347 -7.730 3.888 1.00 35.32 H new ATOM 0 HA ALA A 654 5.385 -8.282 5.840 1.00 13.50 H new ATOM 0 HB1 ALA A 654 7.283 -8.022 7.406 1.00 74.53 H new ATOM 0 HB2 ALA A 654 7.713 -9.025 6.001 1.00 74.53 H new ATOM 0 HB3 ALA A 654 8.262 -7.335 6.088 1.00 74.53 H new ATOM 1106 N ASN A 655 5.092 -6.202 7.295 1.00 14.32 N ATOM 1107 CA ASN A 655 4.574 -4.968 7.933 1.00 64.31 C ATOM 1108 C ASN A 655 5.633 -3.880 8.037 1.00 22.12 C ATOM 1109 O ASN A 655 5.388 -2.719 7.679 1.00 2.52 O ATOM 1110 CB ASN A 655 4.032 -5.252 9.336 1.00 10.12 C ATOM 1111 CG ASN A 655 2.846 -6.193 9.374 1.00 34.11 C ATOM 1112 OD1 ASN A 655 2.664 -6.914 10.327 1.00 25.22 O ATOM 1113 ND2 ASN A 655 2.025 -6.182 8.350 1.00 5.42 N ATOM 0 H ASN A 655 4.901 -7.049 7.831 1.00 14.32 H new ATOM 0 HA ASN A 655 3.770 -4.615 7.287 1.00 64.31 H new ATOM 0 HB2 ASN A 655 4.833 -5.674 9.943 1.00 10.12 H new ATOM 0 HB3 ASN A 655 3.745 -4.308 9.799 1.00 10.12 H new ATOM 0 HD21 ASN A 655 1.208 -6.793 8.345 1.00 5.42 H new ATOM 0 HD22 ASN A 655 2.204 -5.563 7.559 1.00 5.42 H new ATOM 1120 N GLN A 656 6.807 -4.253 8.506 1.00 52.10 N ATOM 1121 CA GLN A 656 7.907 -3.311 8.668 1.00 63.44 C ATOM 1122 C GLN A 656 8.388 -2.777 7.316 1.00 52.22 C ATOM 1123 O GLN A 656 8.710 -1.594 7.183 1.00 1.32 O ATOM 1124 CB GLN A 656 9.051 -3.955 9.436 1.00 24.03 C ATOM 1125 CG GLN A 656 8.684 -4.366 10.854 1.00 11.34 C ATOM 1126 CD GLN A 656 9.825 -5.020 11.611 1.00 74.12 C ATOM 1127 OE1 GLN A 656 9.920 -4.912 12.829 1.00 4.54 O ATOM 1128 NE2 GLN A 656 10.709 -5.686 10.908 1.00 63.14 N ATOM 0 H GLN A 656 7.029 -5.209 8.785 1.00 52.10 H new ATOM 0 HA GLN A 656 7.540 -2.462 9.244 1.00 63.44 H new ATOM 0 HB2 GLN A 656 9.393 -4.834 8.890 1.00 24.03 H new ATOM 0 HB3 GLN A 656 9.888 -3.258 9.475 1.00 24.03 H new ATOM 0 HG2 GLN A 656 8.351 -3.486 11.404 1.00 11.34 H new ATOM 0 HG3 GLN A 656 7.841 -5.056 10.817 1.00 11.34 H new ATOM 0 HE21 GLN A 656 10.605 -5.760 9.896 1.00 63.14 H new ATOM 0 HE22 GLN A 656 11.501 -6.130 11.373 1.00 63.14 H new ATOM 1137 N GLU A 657 8.397 -3.645 6.321 1.00 11.11 N ATOM 1138 CA GLU A 657 8.800 -3.281 4.963 1.00 52.25 C ATOM 1139 C GLU A 657 7.770 -2.351 4.368 1.00 54.32 C ATOM 1140 O GLU A 657 8.094 -1.390 3.643 1.00 21.11 O ATOM 1141 CB GLU A 657 8.882 -4.526 4.101 1.00 30.53 C ATOM 1142 CG GLU A 657 9.883 -5.545 4.586 1.00 4.23 C ATOM 1143 CD GLU A 657 11.272 -4.990 4.618 1.00 63.24 C ATOM 1144 OE1 GLU A 657 11.895 -4.884 3.549 1.00 72.24 O ATOM 1145 OE2 GLU A 657 11.754 -4.637 5.709 1.00 31.23 O ATOM 0 H GLU A 657 8.126 -4.623 6.425 1.00 11.11 H new ATOM 0 HA GLU A 657 9.773 -2.792 5.000 1.00 52.25 H new ATOM 0 HB2 GLU A 657 7.897 -4.991 4.059 1.00 30.53 H new ATOM 0 HB3 GLU A 657 9.141 -4.234 3.083 1.00 30.53 H new ATOM 0 HG2 GLU A 657 9.604 -5.882 5.584 1.00 4.23 H new ATOM 0 HG3 GLU A 657 9.856 -6.419 3.935 1.00 4.23 H new ATOM 1152 N ALA A 658 6.524 -2.649 4.673 1.00 14.43 N ATOM 1153 CA ALA A 658 5.414 -1.874 4.229 1.00 75.13 C ATOM 1154 C ALA A 658 5.531 -0.460 4.751 1.00 52.23 C ATOM 1155 O ALA A 658 5.456 0.480 3.992 1.00 55.32 O ATOM 1156 CB ALA A 658 4.102 -2.518 4.663 1.00 72.14 C ATOM 0 H ALA A 658 6.264 -3.452 5.246 1.00 14.43 H new ATOM 0 HA ALA A 658 5.419 -1.838 3.140 1.00 75.13 H new ATOM 0 HB1 ALA A 658 3.266 -1.911 4.315 1.00 72.14 H new ATOM 0 HB2 ALA A 658 4.028 -3.518 4.235 1.00 72.14 H new ATOM 0 HB3 ALA A 658 4.072 -2.586 5.750 1.00 72.14 H new ATOM 1162 N MET A 659 5.771 -0.317 6.042 1.00 2.11 N ATOM 1163 CA MET A 659 5.921 1.010 6.644 1.00 1.11 C ATOM 1164 C MET A 659 7.086 1.777 6.053 1.00 21.12 C ATOM 1165 O MET A 659 6.987 2.980 5.835 1.00 62.30 O ATOM 1166 CB MET A 659 6.033 0.938 8.152 1.00 23.44 C ATOM 1167 CG MET A 659 4.791 0.407 8.807 1.00 22.24 C ATOM 1168 SD MET A 659 4.912 0.357 10.586 1.00 55.04 S ATOM 1169 CE MET A 659 3.245 -0.136 10.962 1.00 53.11 C ATOM 0 H MET A 659 5.867 -1.094 6.696 1.00 2.11 H new ATOM 0 HA MET A 659 5.011 1.560 6.404 1.00 1.11 H new ATOM 0 HB2 MET A 659 6.878 0.303 8.418 1.00 23.44 H new ATOM 0 HB3 MET A 659 6.247 1.933 8.543 1.00 23.44 H new ATOM 0 HG2 MET A 659 3.942 1.029 8.523 1.00 22.24 H new ATOM 0 HG3 MET A 659 4.590 -0.597 8.433 1.00 22.24 H new ATOM 0 HE1 MET A 659 2.930 0.328 11.897 1.00 53.11 H new ATOM 0 HE2 MET A 659 2.581 0.182 10.158 1.00 53.11 H new ATOM 0 HE3 MET A 659 3.200 -1.220 11.062 1.00 53.11 H new ATOM 1179 N GLU A 660 8.169 1.073 5.758 1.00 53.33 N ATOM 1180 CA GLU A 660 9.341 1.659 5.159 1.00 25.32 C ATOM 1181 C GLU A 660 8.984 2.265 3.789 1.00 50.43 C ATOM 1182 O GLU A 660 9.470 3.335 3.414 1.00 52.35 O ATOM 1183 CB GLU A 660 10.400 0.576 5.001 1.00 5.04 C ATOM 1184 CG GLU A 660 11.696 1.072 4.452 1.00 32.40 C ATOM 1185 CD GLU A 660 12.701 -0.031 4.250 1.00 54.14 C ATOM 1186 OE1 GLU A 660 13.338 -0.455 5.236 1.00 1.12 O ATOM 1187 OE2 GLU A 660 12.869 -0.491 3.104 1.00 2.23 O ATOM 0 H GLU A 660 8.252 0.071 5.932 1.00 53.33 H new ATOM 0 HA GLU A 660 9.726 2.456 5.795 1.00 25.32 H new ATOM 0 HB2 GLU A 660 10.581 0.114 5.972 1.00 5.04 H new ATOM 0 HB3 GLU A 660 10.013 -0.203 4.344 1.00 5.04 H new ATOM 0 HG2 GLU A 660 11.515 1.572 3.501 1.00 32.40 H new ATOM 0 HG3 GLU A 660 12.112 1.817 5.130 1.00 32.40 H new ATOM 1194 N THR A 661 8.121 1.584 3.078 1.00 61.13 N ATOM 1195 CA THR A 661 7.661 2.035 1.789 1.00 14.43 C ATOM 1196 C THR A 661 6.625 3.164 1.978 1.00 62.15 C ATOM 1197 O THR A 661 6.729 4.240 1.381 1.00 30.30 O ATOM 1198 CB THR A 661 7.005 0.850 1.037 1.00 53.32 C ATOM 1199 OG1 THR A 661 7.947 -0.249 0.949 1.00 22.31 O ATOM 1200 CG2 THR A 661 6.558 1.263 -0.364 1.00 71.41 C ATOM 0 H THR A 661 7.716 0.697 3.378 1.00 61.13 H new ATOM 0 HA THR A 661 8.504 2.412 1.211 1.00 14.43 H new ATOM 0 HB THR A 661 6.122 0.536 1.594 1.00 53.32 H new ATOM 0 HG1 THR A 661 8.039 -0.672 1.828 1.00 22.31 H new ATOM 0 HG21 THR A 661 6.102 0.410 -0.866 1.00 71.41 H new ATOM 0 HG22 THR A 661 5.831 2.072 -0.290 1.00 71.41 H new ATOM 0 HG23 THR A 661 7.422 1.602 -0.936 1.00 71.41 H new ATOM 1208 N LEU A 662 5.676 2.904 2.861 1.00 42.41 N ATOM 1209 CA LEU A 662 4.554 3.784 3.154 1.00 21.25 C ATOM 1210 C LEU A 662 4.993 5.174 3.577 1.00 41.32 C ATOM 1211 O LEU A 662 4.634 6.147 2.926 1.00 4.41 O ATOM 1212 CB LEU A 662 3.674 3.126 4.238 1.00 42.24 C ATOM 1213 CG LEU A 662 2.463 3.901 4.770 1.00 21.22 C ATOM 1214 CD1 LEU A 662 1.471 4.195 3.665 1.00 73.31 C ATOM 1215 CD2 LEU A 662 1.789 3.111 5.883 1.00 62.02 C ATOM 0 H LEU A 662 5.664 2.046 3.413 1.00 42.41 H new ATOM 0 HA LEU A 662 3.979 3.919 2.238 1.00 21.25 H new ATOM 0 HB2 LEU A 662 3.312 2.178 3.840 1.00 42.24 H new ATOM 0 HB3 LEU A 662 4.315 2.891 5.087 1.00 42.24 H new ATOM 0 HG LEU A 662 2.816 4.853 5.166 1.00 21.22 H new ATOM 0 HD11 LEU A 662 0.624 4.745 4.074 1.00 73.31 H new ATOM 0 HD12 LEU A 662 1.954 4.793 2.892 1.00 73.31 H new ATOM 0 HD13 LEU A 662 1.120 3.258 3.232 1.00 73.31 H new ATOM 0 HD21 LEU A 662 0.930 3.668 6.256 1.00 62.02 H new ATOM 0 HD22 LEU A 662 1.457 2.148 5.496 1.00 62.02 H new ATOM 0 HD23 LEU A 662 2.497 2.950 6.696 1.00 62.02 H new ATOM 1227 N ARG A 663 5.816 5.253 4.616 1.00 72.31 N ATOM 1228 CA ARG A 663 6.245 6.543 5.180 1.00 71.52 C ATOM 1229 C ARG A 663 6.958 7.381 4.116 1.00 74.44 C ATOM 1230 O ARG A 663 6.810 8.609 4.056 1.00 32.10 O ATOM 1231 CB ARG A 663 7.188 6.307 6.367 1.00 3.10 C ATOM 1232 CG ARG A 663 6.550 5.532 7.496 1.00 34.44 C ATOM 1233 CD ARG A 663 7.532 5.205 8.610 1.00 23.24 C ATOM 1234 NE ARG A 663 8.053 6.393 9.294 1.00 4.53 N ATOM 1235 CZ ARG A 663 8.466 6.416 10.572 1.00 40.14 C ATOM 1236 NH1 ARG A 663 8.345 5.332 11.341 1.00 54.35 N ATOM 1237 NH2 ARG A 663 8.990 7.520 11.073 1.00 23.12 N ATOM 0 H ARG A 663 6.205 4.439 5.092 1.00 72.31 H new ATOM 0 HA ARG A 663 5.362 7.083 5.521 1.00 71.52 H new ATOM 0 HB2 ARG A 663 8.070 5.768 6.019 1.00 3.10 H new ATOM 0 HB3 ARG A 663 7.531 7.270 6.746 1.00 3.10 H new ATOM 0 HG2 ARG A 663 5.721 6.110 7.905 1.00 34.44 H new ATOM 0 HG3 ARG A 663 6.130 4.606 7.104 1.00 34.44 H new ATOM 0 HD2 ARG A 663 7.041 4.561 9.340 1.00 23.24 H new ATOM 0 HD3 ARG A 663 8.366 4.639 8.195 1.00 23.24 H new ATOM 0 HE ARG A 663 8.105 7.262 8.763 1.00 4.53 H new ATOM 0 HH11 ARG A 663 7.937 4.479 10.959 1.00 54.35 H new ATOM 0 HH12 ARG A 663 8.661 5.357 12.311 1.00 54.35 H new ATOM 0 HH21 ARG A 663 9.080 8.352 10.490 1.00 23.12 H new ATOM 0 HH22 ARG A 663 9.305 7.541 12.043 1.00 23.12 H new ATOM 1251 N ARG A 664 7.701 6.705 3.263 1.00 31.01 N ATOM 1252 CA ARG A 664 8.450 7.351 2.208 1.00 12.24 C ATOM 1253 C ARG A 664 7.528 7.885 1.142 1.00 54.24 C ATOM 1254 O ARG A 664 7.632 9.033 0.761 1.00 22.22 O ATOM 1255 CB ARG A 664 9.471 6.394 1.614 1.00 54.31 C ATOM 1256 CG ARG A 664 10.328 6.991 0.514 1.00 11.44 C ATOM 1257 CD ARG A 664 11.352 5.991 0.042 1.00 40.40 C ATOM 1258 NE ARG A 664 12.235 5.564 1.136 1.00 4.44 N ATOM 1259 CZ ARG A 664 12.704 4.320 1.302 1.00 23.32 C ATOM 1260 NH1 ARG A 664 12.396 3.362 0.422 1.00 53.22 N ATOM 1261 NH2 ARG A 664 13.485 4.041 2.345 1.00 22.11 N ATOM 0 H ARG A 664 7.802 5.690 3.283 1.00 31.01 H new ATOM 0 HA ARG A 664 8.986 8.196 2.639 1.00 12.24 H new ATOM 0 HB2 ARG A 664 10.123 6.037 2.412 1.00 54.31 H new ATOM 0 HB3 ARG A 664 8.947 5.524 1.217 1.00 54.31 H new ATOM 0 HG2 ARG A 664 9.698 7.297 -0.321 1.00 11.44 H new ATOM 0 HG3 ARG A 664 10.828 7.887 0.880 1.00 11.44 H new ATOM 0 HD2 ARG A 664 10.846 5.122 -0.378 1.00 40.40 H new ATOM 0 HD3 ARG A 664 11.949 6.430 -0.758 1.00 40.40 H new ATOM 0 HE ARG A 664 12.512 6.268 1.821 1.00 4.44 H new ATOM 0 HH11 ARG A 664 11.802 3.577 -0.379 1.00 53.22 H new ATOM 0 HH12 ARG A 664 12.755 2.416 0.552 1.00 53.22 H new ATOM 0 HH21 ARG A 664 13.724 4.773 3.014 1.00 22.11 H new ATOM 0 HH22 ARG A 664 13.844 3.095 2.475 1.00 22.11 H new ATOM 1275 N SER A 665 6.604 7.075 0.697 1.00 15.11 N ATOM 1276 CA SER A 665 5.691 7.482 -0.330 1.00 64.22 C ATOM 1277 C SER A 665 4.743 8.567 0.158 1.00 4.44 C ATOM 1278 O SER A 665 4.292 9.377 -0.622 1.00 15.01 O ATOM 1279 CB SER A 665 4.951 6.285 -0.914 1.00 71.44 C ATOM 1280 OG SER A 665 5.864 5.418 -1.569 1.00 34.25 O ATOM 0 H SER A 665 6.466 6.123 1.035 1.00 15.11 H new ATOM 0 HA SER A 665 6.274 7.923 -1.139 1.00 64.22 H new ATOM 0 HB2 SER A 665 4.432 5.747 -0.121 1.00 71.44 H new ATOM 0 HB3 SER A 665 4.192 6.625 -1.618 1.00 71.44 H new ATOM 0 HG SER A 665 5.820 5.568 -2.537 1.00 34.25 H new ATOM 1286 N MET A 666 4.475 8.596 1.451 1.00 45.31 N ATOM 1287 CA MET A 666 3.637 9.648 2.030 1.00 13.12 C ATOM 1288 C MET A 666 4.312 10.989 1.887 1.00 35.03 C ATOM 1289 O MET A 666 3.682 11.978 1.546 1.00 5.33 O ATOM 1290 CB MET A 666 3.431 9.424 3.507 1.00 75.30 C ATOM 1291 CG MET A 666 2.724 8.160 3.887 1.00 14.24 C ATOM 1292 SD MET A 666 2.684 7.965 5.660 1.00 42.21 S ATOM 1293 CE MET A 666 1.714 9.395 6.111 1.00 61.11 C ATOM 0 H MET A 666 4.820 7.910 2.123 1.00 45.31 H new ATOM 0 HA MET A 666 2.684 9.624 1.502 1.00 13.12 H new ATOM 0 HB2 MET A 666 4.406 9.432 3.995 1.00 75.30 H new ATOM 0 HB3 MET A 666 2.867 10.267 3.907 1.00 75.30 H new ATOM 0 HG2 MET A 666 1.707 8.175 3.495 1.00 14.24 H new ATOM 0 HG3 MET A 666 3.228 7.306 3.434 1.00 14.24 H new ATOM 0 HE1 MET A 666 1.338 9.274 7.127 1.00 61.11 H new ATOM 0 HE2 MET A 666 2.337 10.288 6.059 1.00 61.11 H new ATOM 0 HE3 MET A 666 0.875 9.497 5.423 1.00 61.11 H new ATOM 1303 N SER A 667 5.597 11.005 2.129 1.00 54.11 N ATOM 1304 CA SER A 667 6.333 12.227 2.117 1.00 51.14 C ATOM 1305 C SER A 667 6.837 12.545 0.710 1.00 32.03 C ATOM 1306 O SER A 667 6.618 13.640 0.197 1.00 25.42 O ATOM 1307 CB SER A 667 7.494 12.148 3.124 1.00 41.03 C ATOM 1308 OG SER A 667 8.165 13.395 3.235 1.00 60.05 O ATOM 0 H SER A 667 6.152 10.175 2.337 1.00 54.11 H new ATOM 0 HA SER A 667 5.672 13.040 2.417 1.00 51.14 H new ATOM 0 HB2 SER A 667 7.112 11.850 4.100 1.00 41.03 H new ATOM 0 HB3 SER A 667 8.200 11.379 2.809 1.00 41.03 H new ATOM 0 HG SER A 667 8.897 13.316 3.882 1.00 60.05 H new ATOM 1314 N THR A 668 7.464 11.582 0.071 1.00 60.23 N ATOM 1315 CA THR A 668 8.051 11.816 -1.222 1.00 1.02 C ATOM 1316 C THR A 668 6.981 11.925 -2.298 1.00 31.01 C ATOM 1317 O THR A 668 6.977 12.862 -3.099 1.00 0.02 O ATOM 1318 CB THR A 668 9.051 10.711 -1.559 1.00 64.01 C ATOM 1319 OG1 THR A 668 10.035 10.646 -0.513 1.00 11.13 O ATOM 1320 CG2 THR A 668 9.744 10.971 -2.892 1.00 5.44 C ATOM 0 H THR A 668 7.578 10.633 0.428 1.00 60.23 H new ATOM 0 HA THR A 668 8.584 12.766 -1.188 1.00 1.02 H new ATOM 0 HB THR A 668 8.512 9.767 -1.641 1.00 64.01 H new ATOM 0 HG1 THR A 668 9.667 10.156 0.252 1.00 11.13 H new ATOM 0 HG21 THR A 668 10.448 10.165 -3.099 1.00 5.44 H new ATOM 0 HG22 THR A 668 8.999 11.016 -3.687 1.00 5.44 H new ATOM 0 HG23 THR A 668 10.281 11.918 -2.844 1.00 5.44 H new ATOM 1328 N GLU A 669 6.046 11.010 -2.282 1.00 41.21 N ATOM 1329 CA GLU A 669 5.009 10.994 -3.292 1.00 43.54 C ATOM 1330 C GLU A 669 3.762 11.759 -2.850 1.00 44.43 C ATOM 1331 O GLU A 669 2.797 11.870 -3.591 1.00 70.04 O ATOM 1332 CB GLU A 669 4.660 9.572 -3.701 1.00 23.31 C ATOM 1333 CG GLU A 669 5.809 8.813 -4.323 1.00 55.45 C ATOM 1334 CD GLU A 669 5.387 7.455 -4.797 1.00 50.30 C ATOM 1335 OE1 GLU A 669 4.867 7.360 -5.939 1.00 71.10 O ATOM 1336 OE2 GLU A 669 5.566 6.472 -4.054 1.00 33.13 O ATOM 0 H GLU A 669 5.978 10.268 -1.586 1.00 41.21 H new ATOM 0 HA GLU A 669 5.409 11.509 -4.165 1.00 43.54 H new ATOM 0 HB2 GLU A 669 4.311 9.028 -2.824 1.00 23.31 H new ATOM 0 HB3 GLU A 669 3.832 9.601 -4.409 1.00 23.31 H new ATOM 0 HG2 GLU A 669 6.209 9.383 -5.162 1.00 55.45 H new ATOM 0 HG3 GLU A 669 6.613 8.710 -3.595 1.00 55.45 H new ATOM 1343 N GLY A 670 3.784 12.280 -1.648 1.00 70.22 N ATOM 1344 CA GLY A 670 2.668 13.075 -1.185 1.00 62.42 C ATOM 1345 C GLY A 670 2.799 14.481 -1.681 1.00 42.13 C ATOM 1346 O GLY A 670 1.842 15.082 -2.176 1.00 40.10 O ATOM 0 H GLY A 670 4.548 12.172 -0.980 1.00 70.22 H new ATOM 0 HA2 GLY A 670 1.732 12.642 -1.538 1.00 62.42 H new ATOM 0 HA3 GLY A 670 2.633 13.067 -0.096 1.00 62.42 H new ATOM 1350 N ASN A 671 4.015 14.983 -1.601 1.00 53.11 N ATOM 1351 CA ASN A 671 4.367 16.342 -2.027 1.00 4.34 C ATOM 1352 C ASN A 671 4.209 16.537 -3.529 1.00 51.30 C ATOM 1353 O ASN A 671 4.122 17.669 -4.003 1.00 54.34 O ATOM 1354 CB ASN A 671 5.814 16.681 -1.621 1.00 23.20 C ATOM 1355 CG ASN A 671 6.026 16.800 -0.118 1.00 53.35 C ATOM 1356 OD1 ASN A 671 5.320 16.189 0.680 1.00 73.42 O ATOM 1357 ND2 ASN A 671 7.012 17.558 0.272 1.00 40.55 N ATOM 0 H ASN A 671 4.807 14.456 -1.233 1.00 53.11 H new ATOM 0 HA ASN A 671 3.673 17.015 -1.523 1.00 4.34 H new ATOM 0 HB2 ASN A 671 6.479 15.911 -2.011 1.00 23.20 H new ATOM 0 HB3 ASN A 671 6.102 17.620 -2.093 1.00 23.20 H new ATOM 0 HD21 ASN A 671 7.217 17.657 1.266 1.00 40.55 H new ATOM 0 HD22 ASN A 671 7.579 18.052 -0.417 1.00 40.55 H new ATOM 1364 N LYS A 672 4.162 15.446 -4.288 1.00 52.42 N ATOM 1365 CA LYS A 672 4.070 15.548 -5.746 1.00 53.53 C ATOM 1366 C LYS A 672 2.681 16.002 -6.173 1.00 4.22 C ATOM 1367 O LYS A 672 2.504 16.596 -7.231 1.00 51.22 O ATOM 1368 CB LYS A 672 4.446 14.225 -6.430 1.00 1.13 C ATOM 1369 CG LYS A 672 3.465 13.082 -6.246 1.00 34.41 C ATOM 1370 CD LYS A 672 4.000 11.790 -6.846 1.00 43.43 C ATOM 1371 CE LYS A 672 2.980 10.665 -6.757 1.00 73.11 C ATOM 1372 NZ LYS A 672 3.519 9.377 -7.261 1.00 51.44 N ATOM 0 H LYS A 672 4.186 14.492 -3.927 1.00 52.42 H new ATOM 0 HA LYS A 672 4.790 16.301 -6.067 1.00 53.53 H new ATOM 0 HB2 LYS A 672 4.562 14.410 -7.498 1.00 1.13 H new ATOM 0 HB3 LYS A 672 5.419 13.908 -6.054 1.00 1.13 H new ATOM 0 HG2 LYS A 672 3.267 12.937 -5.184 1.00 34.41 H new ATOM 0 HG3 LYS A 672 2.515 13.337 -6.715 1.00 34.41 H new ATOM 0 HD2 LYS A 672 4.268 11.957 -7.889 1.00 43.43 H new ATOM 0 HD3 LYS A 672 4.912 11.497 -6.325 1.00 43.43 H new ATOM 0 HE2 LYS A 672 2.665 10.544 -5.721 1.00 73.11 H new ATOM 0 HE3 LYS A 672 2.093 10.935 -7.330 1.00 73.11 H new ATOM 0 HZ1 LYS A 672 2.742 8.801 -7.642 1.00 51.44 H new ATOM 0 HZ2 LYS A 672 4.214 9.562 -8.012 1.00 51.44 H new ATOM 0 HZ3 LYS A 672 3.980 8.865 -6.482 1.00 51.44 H new ATOM 1386 N ARG A 673 1.706 15.714 -5.346 1.00 1.11 N ATOM 1387 CA ARG A 673 0.325 16.129 -5.604 1.00 11.35 C ATOM 1388 C ARG A 673 -0.105 17.199 -4.614 1.00 53.21 C ATOM 1389 O ARG A 673 -0.633 18.236 -4.982 1.00 11.04 O ATOM 1390 CB ARG A 673 -0.648 14.942 -5.478 1.00 72.13 C ATOM 1391 CG ARG A 673 -0.416 13.790 -6.439 1.00 65.05 C ATOM 1392 CD ARG A 673 -0.631 14.183 -7.894 1.00 73.43 C ATOM 1393 NE ARG A 673 -0.386 13.043 -8.785 1.00 0.35 N ATOM 1394 CZ ARG A 673 -0.613 13.021 -10.110 1.00 31.02 C ATOM 1395 NH1 ARG A 673 -1.249 14.029 -10.705 1.00 14.54 N ATOM 1396 NH2 ARG A 673 -0.244 11.959 -10.826 1.00 24.55 N ATOM 0 H ARG A 673 1.832 15.191 -4.480 1.00 1.11 H new ATOM 0 HA ARG A 673 0.294 16.520 -6.621 1.00 11.35 H new ATOM 0 HB2 ARG A 673 -0.591 14.557 -4.460 1.00 72.13 H new ATOM 0 HB3 ARG A 673 -1.663 15.312 -5.623 1.00 72.13 H new ATOM 0 HG2 ARG A 673 0.601 13.418 -6.314 1.00 65.05 H new ATOM 0 HG3 ARG A 673 -1.088 12.970 -6.186 1.00 65.05 H new ATOM 0 HD2 ARG A 673 -1.650 14.544 -8.031 1.00 73.43 H new ATOM 0 HD3 ARG A 673 0.036 15.004 -8.156 1.00 73.43 H new ATOM 0 HE ARG A 673 -0.011 12.194 -8.362 1.00 0.35 H new ATOM 0 HH11 ARG A 673 -1.568 14.826 -10.155 1.00 14.54 H new ATOM 0 HH12 ARG A 673 -1.417 14.003 -11.711 1.00 14.54 H new ATOM 0 HH21 ARG A 673 0.208 11.168 -10.368 1.00 24.55 H new ATOM 0 HH22 ARG A 673 -0.414 11.938 -11.831 1.00 24.55 H new ATOM 1410 N GLY A 674 0.151 16.943 -3.360 1.00 14.42 N ATOM 1411 CA GLY A 674 -0.345 17.798 -2.302 1.00 60.24 C ATOM 1412 C GLY A 674 -1.404 17.048 -1.544 1.00 72.32 C ATOM 1413 O GLY A 674 -1.880 17.464 -0.475 1.00 13.34 O ATOM 0 H GLY A 674 0.702 16.147 -3.039 1.00 14.42 H new ATOM 0 HA2 GLY A 674 0.467 18.086 -1.635 1.00 60.24 H new ATOM 0 HA3 GLY A 674 -0.756 18.718 -2.719 1.00 60.24 H new ATOM 1417 N MET A 675 -1.768 15.932 -2.115 1.00 20.22 N ATOM 1418 CA MET A 675 -2.704 15.036 -1.550 1.00 52.21 C ATOM 1419 C MET A 675 -2.182 13.635 -1.688 1.00 21.41 C ATOM 1420 O MET A 675 -1.435 13.323 -2.629 1.00 62.24 O ATOM 1421 CB MET A 675 -4.101 15.170 -2.184 1.00 44.13 C ATOM 1422 CG MET A 675 -4.153 14.926 -3.680 1.00 13.55 C ATOM 1423 SD MET A 675 -5.824 15.067 -4.354 1.00 71.30 S ATOM 1424 CE MET A 675 -6.223 16.777 -3.976 1.00 61.10 C ATOM 0 H MET A 675 -1.401 15.624 -3.015 1.00 20.22 H new ATOM 0 HA MET A 675 -2.824 15.284 -0.495 1.00 52.21 H new ATOM 0 HB2 MET A 675 -4.775 14.468 -1.693 1.00 44.13 H new ATOM 0 HB3 MET A 675 -4.481 16.171 -1.981 1.00 44.13 H new ATOM 0 HG2 MET A 675 -3.502 15.641 -4.183 1.00 13.55 H new ATOM 0 HG3 MET A 675 -3.762 13.932 -3.895 1.00 13.55 H new ATOM 0 HE1 MET A 675 -6.776 17.214 -4.808 1.00 61.10 H new ATOM 0 HE2 MET A 675 -6.833 16.817 -3.074 1.00 61.10 H new ATOM 0 HE3 MET A 675 -5.303 17.339 -3.817 1.00 61.10 H new ATOM 1434 N ILE A 676 -2.561 12.825 -0.777 1.00 2.24 N ATOM 1435 CA ILE A 676 -2.153 11.481 -0.715 1.00 74.22 C ATOM 1436 C ILE A 676 -3.306 10.552 -1.013 1.00 61.40 C ATOM 1437 O ILE A 676 -4.413 10.711 -0.510 1.00 22.21 O ATOM 1438 CB ILE A 676 -1.465 11.136 0.644 1.00 64.12 C ATOM 1439 CG1 ILE A 676 -1.304 9.616 0.803 1.00 50.03 C ATOM 1440 CG2 ILE A 676 -2.237 11.729 1.799 1.00 13.31 C ATOM 1441 CD1 ILE A 676 -0.502 9.184 1.988 1.00 42.44 C ATOM 0 H ILE A 676 -3.192 13.094 -0.022 1.00 2.24 H new ATOM 0 HA ILE A 676 -1.399 11.333 -1.488 1.00 74.22 H new ATOM 0 HB ILE A 676 -0.469 11.578 0.646 1.00 64.12 H new ATOM 0 HG12 ILE A 676 -2.295 9.166 0.871 1.00 50.03 H new ATOM 0 HG13 ILE A 676 -0.835 9.220 -0.098 1.00 50.03 H new ATOM 0 HG21 ILE A 676 -1.741 11.477 2.736 1.00 13.31 H new ATOM 0 HG22 ILE A 676 -2.279 12.813 1.691 1.00 13.31 H new ATOM 0 HG23 ILE A 676 -3.250 11.326 1.805 1.00 13.31 H new ATOM 0 HD11 ILE A 676 -0.446 8.096 2.012 1.00 42.44 H new ATOM 0 HD12 ILE A 676 0.504 9.598 1.917 1.00 42.44 H new ATOM 0 HD13 ILE A 676 -0.978 9.543 2.900 1.00 42.44 H new ATOM 1453 N GLN A 677 -3.033 9.626 -1.848 1.00 60.51 N ATOM 1454 CA GLN A 677 -3.983 8.656 -2.287 1.00 34.11 C ATOM 1455 C GLN A 677 -3.772 7.376 -1.520 1.00 12.31 C ATOM 1456 O GLN A 677 -2.666 6.866 -1.456 1.00 15.14 O ATOM 1457 CB GLN A 677 -3.789 8.394 -3.770 1.00 60.14 C ATOM 1458 CG GLN A 677 -4.748 7.382 -4.343 1.00 2.22 C ATOM 1459 CD GLN A 677 -4.510 7.137 -5.801 1.00 31.11 C ATOM 1460 OE1 GLN A 677 -3.752 6.251 -6.173 1.00 40.41 O ATOM 1461 NE2 GLN A 677 -5.121 7.921 -6.632 1.00 51.21 N ATOM 0 H GLN A 677 -2.110 9.510 -2.266 1.00 60.51 H new ATOM 0 HA GLN A 677 -4.993 9.026 -2.114 1.00 34.11 H new ATOM 0 HB2 GLN A 677 -3.900 9.333 -4.312 1.00 60.14 H new ATOM 0 HB3 GLN A 677 -2.769 8.048 -3.937 1.00 60.14 H new ATOM 0 HG2 GLN A 677 -4.650 6.443 -3.798 1.00 2.22 H new ATOM 0 HG3 GLN A 677 -5.771 7.730 -4.197 1.00 2.22 H new ATOM 0 HE21 GLN A 677 -5.745 8.648 -6.282 1.00 51.21 H new ATOM 0 HE22 GLN A 677 -4.978 7.811 -7.636 1.00 51.21 H new ATOM 1470 N LEU A 678 -4.791 6.884 -0.926 1.00 50.14 N ATOM 1471 CA LEU A 678 -4.700 5.661 -0.196 1.00 74.02 C ATOM 1472 C LEU A 678 -5.806 4.709 -0.569 1.00 24.30 C ATOM 1473 O LEU A 678 -6.986 5.076 -0.583 1.00 61.40 O ATOM 1474 CB LEU A 678 -4.627 5.870 1.343 1.00 62.21 C ATOM 1475 CG LEU A 678 -5.732 6.707 2.028 1.00 64.45 C ATOM 1476 CD1 LEU A 678 -5.637 6.546 3.525 1.00 54.31 C ATOM 1477 CD2 LEU A 678 -5.580 8.178 1.699 1.00 62.24 C ATOM 0 H LEU A 678 -5.717 7.311 -0.927 1.00 50.14 H new ATOM 0 HA LEU A 678 -3.752 5.208 -0.487 1.00 74.02 H new ATOM 0 HB2 LEU A 678 -4.619 4.886 1.811 1.00 62.21 H new ATOM 0 HB3 LEU A 678 -3.669 6.338 1.569 1.00 62.21 H new ATOM 0 HG LEU A 678 -6.696 6.352 1.663 1.00 64.45 H new ATOM 0 HD11 LEU A 678 -6.417 7.137 4.005 1.00 54.31 H new ATOM 0 HD12 LEU A 678 -5.765 5.496 3.787 1.00 54.31 H new ATOM 0 HD13 LEU A 678 -4.660 6.889 3.867 1.00 54.31 H new ATOM 0 HD21 LEU A 678 -6.369 8.745 2.193 1.00 62.24 H new ATOM 0 HD22 LEU A 678 -4.609 8.530 2.046 1.00 62.24 H new ATOM 0 HD23 LEU A 678 -5.652 8.319 0.621 1.00 62.24 H new ATOM 1489 N ILE A 679 -5.428 3.508 -0.900 1.00 13.40 N ATOM 1490 CA ILE A 679 -6.386 2.473 -1.182 1.00 44.13 C ATOM 1491 C ILE A 679 -6.428 1.580 0.010 1.00 11.54 C ATOM 1492 O ILE A 679 -5.389 1.070 0.451 1.00 34.13 O ATOM 1493 CB ILE A 679 -6.074 1.604 -2.475 1.00 53.13 C ATOM 1494 CG1 ILE A 679 -6.160 2.418 -3.778 1.00 25.22 C ATOM 1495 CG2 ILE A 679 -7.011 0.402 -2.570 1.00 70.32 C ATOM 1496 CD1 ILE A 679 -5.103 3.458 -3.944 1.00 41.05 C ATOM 0 H ILE A 679 -4.454 3.217 -0.982 1.00 13.40 H new ATOM 0 HA ILE A 679 -7.339 2.960 -1.390 1.00 44.13 H new ATOM 0 HB ILE A 679 -5.046 1.261 -2.362 1.00 53.13 H new ATOM 0 HG12 ILE A 679 -6.107 1.730 -4.622 1.00 25.22 H new ATOM 0 HG13 ILE A 679 -7.135 2.903 -3.822 1.00 25.22 H new ATOM 0 HG21 ILE A 679 -6.774 -0.174 -3.464 1.00 70.32 H new ATOM 0 HG22 ILE A 679 -6.886 -0.228 -1.689 1.00 70.32 H new ATOM 0 HG23 ILE A 679 -8.043 0.749 -2.624 1.00 70.32 H new ATOM 0 HD11 ILE A 679 -5.249 3.977 -4.891 1.00 41.05 H new ATOM 0 HD12 ILE A 679 -5.165 4.174 -3.125 1.00 41.05 H new ATOM 0 HD13 ILE A 679 -4.122 2.984 -3.937 1.00 41.05 H new ATOM 1508 N VAL A 680 -7.586 1.416 0.544 1.00 52.52 N ATOM 1509 CA VAL A 680 -7.785 0.598 1.696 1.00 72.45 C ATOM 1510 C VAL A 680 -8.813 -0.464 1.376 1.00 62.42 C ATOM 1511 O VAL A 680 -9.684 -0.270 0.501 1.00 55.55 O ATOM 1512 CB VAL A 680 -8.220 1.436 2.933 1.00 24.41 C ATOM 1513 CG1 VAL A 680 -7.086 2.341 3.396 1.00 72.11 C ATOM 1514 CG2 VAL A 680 -9.446 2.283 2.615 1.00 72.04 C ATOM 0 H VAL A 680 -8.438 1.852 0.190 1.00 52.52 H new ATOM 0 HA VAL A 680 -6.838 0.125 1.955 1.00 72.45 H new ATOM 0 HB VAL A 680 -8.471 0.738 3.732 1.00 24.41 H new ATOM 0 HG11 VAL A 680 -7.411 2.918 4.262 1.00 72.11 H new ATOM 0 HG12 VAL A 680 -6.223 1.733 3.668 1.00 72.11 H new ATOM 0 HG13 VAL A 680 -6.811 3.021 2.590 1.00 72.11 H new ATOM 0 HG21 VAL A 680 -9.729 2.859 3.496 1.00 72.04 H new ATOM 0 HG22 VAL A 680 -9.215 2.964 1.796 1.00 72.04 H new ATOM 0 HG23 VAL A 680 -10.272 1.633 2.325 1.00 72.04 H new ATOM 1524 N ALA A 681 -8.716 -1.566 2.043 1.00 4.30 N ATOM 1525 CA ALA A 681 -9.565 -2.676 1.783 1.00 74.13 C ATOM 1526 C ALA A 681 -10.373 -3.046 2.996 1.00 44.30 C ATOM 1527 O ALA A 681 -9.818 -3.356 4.063 1.00 74.44 O ATOM 1528 CB ALA A 681 -8.737 -3.863 1.355 1.00 14.32 C ATOM 0 H ALA A 681 -8.039 -1.721 2.790 1.00 4.30 H new ATOM 0 HA ALA A 681 -10.252 -2.392 0.986 1.00 74.13 H new ATOM 0 HB1 ALA A 681 -9.392 -4.711 1.157 1.00 14.32 H new ATOM 0 HB2 ALA A 681 -8.183 -3.613 0.450 1.00 14.32 H new ATOM 0 HB3 ALA A 681 -8.037 -4.123 2.149 1.00 14.32 H new ATOM 1534 N ARG A 682 -11.661 -3.101 2.820 1.00 53.14 N ATOM 1535 CA ARG A 682 -12.553 -3.480 3.890 1.00 11.14 C ATOM 1536 C ARG A 682 -13.078 -4.854 3.576 1.00 34.12 C ATOM 1537 O ARG A 682 -13.218 -5.226 2.400 1.00 53.41 O ATOM 1538 CB ARG A 682 -13.776 -2.533 4.018 1.00 61.13 C ATOM 1539 CG ARG A 682 -14.584 -2.454 2.734 1.00 34.53 C ATOM 1540 CD ARG A 682 -16.089 -2.236 2.940 1.00 21.53 C ATOM 1541 NE ARG A 682 -16.472 -0.977 3.593 1.00 31.44 N ATOM 1542 CZ ARG A 682 -17.377 -0.103 3.080 1.00 30.21 C ATOM 1543 NH1 ARG A 682 -17.789 -0.217 1.818 1.00 35.12 N ATOM 1544 NH2 ARG A 682 -17.832 0.890 3.817 1.00 51.41 N ATOM 0 H ARG A 682 -12.126 -2.887 1.938 1.00 53.14 H new ATOM 0 HA ARG A 682 -11.994 -3.436 4.825 1.00 11.14 H new ATOM 0 HB2 ARG A 682 -14.418 -2.881 4.827 1.00 61.13 H new ATOM 0 HB3 ARG A 682 -13.432 -1.535 4.290 1.00 61.13 H new ATOM 0 HG2 ARG A 682 -14.192 -1.641 2.123 1.00 34.53 H new ATOM 0 HG3 ARG A 682 -14.437 -3.375 2.170 1.00 34.53 H new ATOM 0 HD2 ARG A 682 -16.579 -2.282 1.968 1.00 21.53 H new ATOM 0 HD3 ARG A 682 -16.478 -3.063 3.533 1.00 21.53 H new ATOM 0 HE ARG A 682 -16.033 -0.745 4.484 1.00 31.44 H new ATOM 0 HH11 ARG A 682 -17.425 -0.965 1.228 1.00 35.12 H new ATOM 0 HH12 ARG A 682 -18.469 0.444 1.442 1.00 35.12 H new ATOM 0 HH21 ARG A 682 -17.505 1.005 4.776 1.00 51.41 H new ATOM 0 HH22 ARG A 682 -18.511 1.544 3.428 1.00 51.41 H new ATOM 1839 N GLU B 780 5.543 -2.135 15.486 1.00 25.21 N ATOM 1840 CA GLU B 780 4.863 -2.149 14.206 1.00 55.01 C ATOM 1841 C GLU B 780 3.606 -1.301 14.221 1.00 71.32 C ATOM 1842 O GLU B 780 2.626 -1.577 13.530 1.00 61.23 O ATOM 1843 CB GLU B 780 4.616 -3.574 13.758 1.00 24.10 C ATOM 1844 CG GLU B 780 5.926 -4.326 13.586 1.00 42.14 C ATOM 1845 CD GLU B 780 5.777 -5.732 13.053 1.00 22.31 C ATOM 1846 OE1 GLU B 780 5.607 -6.674 13.857 1.00 60.21 O ATOM 1847 OE2 GLU B 780 5.856 -5.918 11.826 1.00 51.41 O ATOM 0 HA GLU B 780 5.513 -1.686 13.464 1.00 55.01 H new ATOM 0 HB2 GLU B 780 3.992 -4.086 14.490 1.00 24.10 H new ATOM 0 HB3 GLU B 780 4.067 -3.573 12.816 1.00 24.10 H new ATOM 0 HG2 GLU B 780 6.568 -3.761 12.910 1.00 42.14 H new ATOM 0 HG3 GLU B 780 6.435 -4.368 14.549 1.00 42.14 H new ATOM 1854 N GLU B 781 3.669 -0.272 15.002 1.00 72.40 N ATOM 1855 CA GLU B 781 2.681 0.802 14.992 1.00 43.54 C ATOM 1856 C GLU B 781 3.276 2.038 14.373 1.00 51.13 C ATOM 1857 O GLU B 781 4.415 2.403 14.671 1.00 43.41 O ATOM 1858 CB GLU B 781 2.129 1.124 16.367 1.00 25.35 C ATOM 1859 CG GLU B 781 1.028 0.207 16.827 1.00 23.22 C ATOM 1860 CD GLU B 781 0.552 0.512 18.212 1.00 31.43 C ATOM 1861 OE1 GLU B 781 1.056 1.460 18.817 1.00 41.24 O ATOM 1862 OE2 GLU B 781 -0.386 -0.155 18.696 1.00 62.14 O ATOM 0 H GLU B 781 4.415 -0.135 15.684 1.00 72.40 H new ATOM 0 HA GLU B 781 1.840 0.449 14.395 1.00 43.54 H new ATOM 0 HB2 GLU B 781 2.944 1.085 17.090 1.00 25.35 H new ATOM 0 HB3 GLU B 781 1.755 2.148 16.364 1.00 25.35 H new ATOM 0 HG2 GLU B 781 0.188 0.281 16.136 1.00 23.22 H new ATOM 0 HG3 GLU B 781 1.382 -0.823 16.789 1.00 23.22 H new ATOM 1869 N LEU B 782 2.525 2.664 13.512 1.00 51.33 N ATOM 1870 CA LEU B 782 2.954 3.818 12.813 1.00 15.33 C ATOM 1871 C LEU B 782 1.852 4.865 12.757 1.00 22.33 C ATOM 1872 O LEU B 782 0.714 4.548 12.506 1.00 42.35 O ATOM 1873 CB LEU B 782 3.322 3.394 11.406 1.00 54.25 C ATOM 1874 CG LEU B 782 3.617 4.486 10.428 1.00 11.35 C ATOM 1875 CD1 LEU B 782 4.823 5.267 10.862 1.00 54.23 C ATOM 1876 CD2 LEU B 782 3.793 3.907 9.058 1.00 44.35 C ATOM 0 H LEU B 782 1.576 2.370 13.279 1.00 51.33 H new ATOM 0 HA LEU B 782 3.808 4.260 13.326 1.00 15.33 H new ATOM 0 HB2 LEU B 782 4.196 2.745 11.464 1.00 54.25 H new ATOM 0 HB3 LEU B 782 2.505 2.793 11.008 1.00 54.25 H new ATOM 0 HG LEU B 782 2.776 5.179 10.395 1.00 11.35 H new ATOM 0 HD11 LEU B 782 5.024 6.058 10.139 1.00 54.23 H new ATOM 0 HD12 LEU B 782 4.637 5.709 11.841 1.00 54.23 H new ATOM 0 HD13 LEU B 782 5.685 4.602 10.921 1.00 54.23 H new ATOM 0 HD21 LEU B 782 4.008 4.707 8.350 1.00 44.35 H new ATOM 0 HD22 LEU B 782 4.621 3.198 9.066 1.00 44.35 H new ATOM 0 HD23 LEU B 782 2.879 3.394 8.760 1.00 44.35 H new ATOM 1888 N ILE B 783 2.188 6.089 13.025 1.00 32.42 N ATOM 1889 CA ILE B 783 1.247 7.174 12.820 1.00 34.05 C ATOM 1890 C ILE B 783 1.507 7.798 11.464 1.00 51.11 C ATOM 1891 O ILE B 783 2.633 8.229 11.167 1.00 14.45 O ATOM 1892 CB ILE B 783 1.268 8.294 13.928 1.00 4.23 C ATOM 1893 CG1 ILE B 783 0.778 7.780 15.304 1.00 44.12 C ATOM 1894 CG2 ILE B 783 0.427 9.502 13.498 1.00 55.55 C ATOM 1895 CD1 ILE B 783 1.666 6.762 15.973 1.00 4.35 C ATOM 0 H ILE B 783 3.099 6.373 13.385 1.00 32.42 H new ATOM 0 HA ILE B 783 0.254 6.728 12.880 1.00 34.05 H new ATOM 0 HB ILE B 783 2.309 8.596 14.041 1.00 4.23 H new ATOM 0 HG12 ILE B 783 0.667 8.634 15.972 1.00 44.12 H new ATOM 0 HG13 ILE B 783 -0.213 7.344 15.177 1.00 44.12 H new ATOM 0 HG21 ILE B 783 0.456 10.262 14.279 1.00 55.55 H new ATOM 0 HG22 ILE B 783 0.830 9.915 12.574 1.00 55.55 H new ATOM 0 HG23 ILE B 783 -0.604 9.188 13.336 1.00 55.55 H new ATOM 0 HD11 ILE B 783 1.230 6.471 16.928 1.00 4.35 H new ATOM 0 HD12 ILE B 783 1.759 5.884 15.334 1.00 4.35 H new ATOM 0 HD13 ILE B 783 2.652 7.194 16.141 1.00 4.35 H new ATOM 1907 N ILE B 784 0.496 7.832 10.648 1.00 71.23 N ATOM 1908 CA ILE B 784 0.600 8.398 9.345 1.00 62.43 C ATOM 1909 C ILE B 784 -0.059 9.767 9.293 1.00 31.33 C ATOM 1910 O ILE B 784 0.633 10.756 9.549 1.00 38.45 O ATOM 1911 CB ILE B 784 0.092 7.439 8.220 1.00 21.33 C ATOM 1912 CG1 ILE B 784 -1.311 6.875 8.530 1.00 61.43 C ATOM 1913 CG2 ILE B 784 1.099 6.305 7.987 1.00 32.22 C ATOM 1914 CD1 ILE B 784 -1.828 5.965 7.450 1.00 65.34 C ATOM 1915 OXT ILE B 784 -1.253 9.863 9.022 1.00 38.45 O ATOM 0 H ILE B 784 -0.428 7.464 10.873 1.00 71.23 H new ATOM 0 HA ILE B 784 1.661 8.539 9.140 1.00 62.43 H new ATOM 0 HB ILE B 784 0.006 8.024 7.304 1.00 21.33 H new ATOM 0 HG12 ILE B 784 -1.277 6.329 9.473 1.00 61.43 H new ATOM 0 HG13 ILE B 784 -2.008 7.702 8.665 1.00 61.43 H new ATOM 0 HG21 ILE B 784 0.730 5.646 7.201 1.00 32.22 H new ATOM 0 HG22 ILE B 784 2.058 6.726 7.687 1.00 32.22 H new ATOM 0 HG23 ILE B 784 1.225 5.735 8.908 1.00 32.22 H new ATOM 0 HD11 ILE B 784 -2.818 5.600 7.725 1.00 65.34 H new ATOM 0 HD12 ILE B 784 -1.892 6.514 6.511 1.00 65.34 H new ATOM 0 HD13 ILE B 784 -1.150 5.120 7.331 1.00 65.34 H new