USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 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 USER MOD Single : A 594 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.4!) USER MOD Single : A 596 SER OG : rot -77:sc= 0.68 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 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= 0.805 K(o=0.8,f=-0.02) USER MOD Single : A 610 SER OG : rot -160:sc= -0.0302 USER MOD Single : A 622 LYS NZ :NH3+ -107:sc= 1.09 (180deg=0.599) 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 151:sc= 0.724 USER MOD Single : A 632 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.992) USER MOD Single : A 639 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.4) USER MOD Single : A 641 GLN : amide:sc= 0.817 K(o=0.82,f=-2.3!) USER MOD Single : A 646 ASN : amide:sc= -1.62! C(o=-1.6!,f=-14!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 655 ASN : amide:sc= -1.27 K(o=-1.3,f=-4!) USER MOD Single : A 656 GLN : amide:sc= -0.902 K(o=-0.9,f=0) USER MOD Single : A 659 MET CE :methyl -168:sc= -0.181 (180deg=-0.834) USER MOD Single : A 661 THR OG1 : rot 74:sc= 0.898 USER MOD Single : A 665 SER OG : rot -57:sc= 1.19 USER MOD Single : A 666 MET CE :methyl -163:sc= -3.8 (180deg=-4.9!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 80:sc= 0.352 USER MOD Single : A 671 ASN : amide:sc= -0.173 K(o=-0.17,f=-3.7!) USER MOD Single : A 672 LYS NZ :NH3+ -165:sc= -0.0441 (180deg=-0.311) USER MOD Single : A 675 MET CE :methyl 173:sc= -0.46 (180deg=-0.589) USER MOD Single : A 677 GLN : amide:sc= 0.601 K(o=0.6,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -12.908 -6.173 -0.386 1.00 62.44 N ATOM 79 CA GLU A 585 -13.066 -5.218 -1.442 1.00 71.12 C ATOM 80 C GLU A 585 -12.284 -3.977 -1.139 1.00 62.23 C ATOM 81 O GLU A 585 -12.131 -3.595 0.035 1.00 41.34 O ATOM 82 CB GLU A 585 -14.544 -4.925 -1.734 1.00 74.41 C ATOM 83 CG GLU A 585 -15.343 -4.394 -0.561 1.00 64.10 C ATOM 84 CD GLU A 585 -16.788 -4.191 -0.922 1.00 2.00 C ATOM 85 OE1 GLU A 585 -17.159 -3.090 -1.390 1.00 42.41 O ATOM 86 OE2 GLU A 585 -17.581 -5.123 -0.753 1.00 64.01 O ATOM 0 HA GLU A 585 -12.662 -5.649 -2.358 1.00 71.12 H new ATOM 0 HB2 GLU A 585 -14.600 -4.202 -2.548 1.00 74.41 H new ATOM 0 HB3 GLU A 585 -15.016 -5.841 -2.089 1.00 74.41 H new ATOM 0 HG2 GLU A 585 -15.271 -5.090 0.274 1.00 64.10 H new ATOM 0 HG3 GLU A 585 -14.915 -3.449 -0.226 1.00 64.10 H new ATOM 93 N PHE A 586 -11.770 -3.374 -2.171 1.00 22.24 N ATOM 94 CA PHE A 586 -10.903 -2.238 -2.037 1.00 62.42 C ATOM 95 C PHE A 586 -11.669 -0.939 -2.169 1.00 22.11 C ATOM 96 O PHE A 586 -12.533 -0.792 -3.046 1.00 72.24 O ATOM 97 CB PHE A 586 -9.767 -2.280 -3.082 1.00 72.43 C ATOM 98 CG PHE A 586 -8.752 -3.396 -2.914 1.00 11.23 C ATOM 99 CD1 PHE A 586 -8.990 -4.466 -2.080 1.00 42.53 C ATOM 100 CD2 PHE A 586 -7.553 -3.359 -3.605 1.00 65.22 C ATOM 101 CE1 PHE A 586 -8.074 -5.468 -1.930 1.00 74.33 C ATOM 102 CE2 PHE A 586 -6.625 -4.369 -3.459 1.00 20.45 C ATOM 103 CZ PHE A 586 -6.888 -5.427 -2.620 1.00 5.34 C ATOM 0 H PHE A 586 -11.941 -3.658 -3.136 1.00 22.24 H new ATOM 0 HA PHE A 586 -10.467 -2.284 -1.039 1.00 62.42 H new ATOM 0 HB2 PHE A 586 -10.214 -2.368 -4.072 1.00 72.43 H new ATOM 0 HB3 PHE A 586 -9.238 -1.327 -3.054 1.00 72.43 H new ATOM 0 HD1 PHE A 586 -9.920 -4.514 -1.533 1.00 42.53 H new ATOM 0 HD2 PHE A 586 -7.342 -2.531 -4.265 1.00 65.22 H new ATOM 0 HE1 PHE A 586 -8.283 -6.294 -1.267 1.00 74.33 H new ATOM 0 HE2 PHE A 586 -5.693 -4.329 -4.003 1.00 20.45 H new ATOM 0 HZ PHE A 586 -6.165 -6.221 -2.505 1.00 5.34 H new ATOM 113 N LEU A 587 -11.366 -0.019 -1.303 1.00 72.43 N ATOM 114 CA LEU A 587 -11.948 1.299 -1.319 1.00 4.15 C ATOM 115 C LEU A 587 -10.843 2.287 -1.567 1.00 72.21 C ATOM 116 O LEU A 587 -9.683 2.011 -1.268 1.00 24.11 O ATOM 117 CB LEU A 587 -12.660 1.664 0.013 1.00 55.45 C ATOM 118 CG LEU A 587 -13.886 0.835 0.451 1.00 41.54 C ATOM 119 CD1 LEU A 587 -13.511 -0.584 0.839 1.00 51.35 C ATOM 120 CD2 LEU A 587 -14.607 1.531 1.588 1.00 71.53 C ATOM 0 H LEU A 587 -10.694 -0.162 -0.549 1.00 72.43 H new ATOM 0 HA LEU A 587 -12.706 1.324 -2.102 1.00 4.15 H new ATOM 0 HB2 LEU A 587 -11.919 1.605 0.810 1.00 55.45 H new ATOM 0 HB3 LEU A 587 -12.973 2.706 -0.055 1.00 55.45 H new ATOM 0 HG LEU A 587 -14.557 0.762 -0.405 1.00 41.54 H new ATOM 0 HD11 LEU A 587 -14.407 -1.128 1.140 1.00 51.35 H new ATOM 0 HD12 LEU A 587 -13.051 -1.085 -0.013 1.00 51.35 H new ATOM 0 HD13 LEU A 587 -12.805 -0.560 1.669 1.00 51.35 H new ATOM 0 HD21 LEU A 587 -15.470 0.937 1.889 1.00 71.53 H new ATOM 0 HD22 LEU A 587 -13.930 1.642 2.435 1.00 71.53 H new ATOM 0 HD23 LEU A 587 -14.940 2.515 1.259 1.00 71.53 H new ATOM 132 N THR A 588 -11.167 3.407 -2.112 1.00 42.43 N ATOM 133 CA THR A 588 -10.162 4.391 -2.385 1.00 30.11 C ATOM 134 C THR A 588 -10.414 5.646 -1.563 1.00 30.23 C ATOM 135 O THR A 588 -11.501 6.236 -1.634 1.00 73.44 O ATOM 136 CB THR A 588 -10.125 4.737 -3.885 1.00 4.34 C ATOM 137 OG1 THR A 588 -9.990 3.517 -4.637 1.00 50.33 O ATOM 138 CG2 THR A 588 -8.941 5.647 -4.203 1.00 14.05 C ATOM 0 H THR A 588 -12.115 3.670 -2.379 1.00 42.43 H new ATOM 0 HA THR A 588 -9.194 3.974 -2.106 1.00 30.11 H new ATOM 0 HB THR A 588 -11.046 5.256 -4.150 1.00 4.34 H new ATOM 0 HG1 THR A 588 -9.967 3.724 -5.595 1.00 50.33 H new ATOM 0 HG21 THR A 588 -8.935 5.878 -5.268 1.00 14.05 H new ATOM 0 HG22 THR A 588 -9.029 6.571 -3.632 1.00 14.05 H new ATOM 0 HG23 THR A 588 -8.012 5.142 -3.936 1.00 14.05 H new ATOM 146 N PHE A 589 -9.442 6.027 -0.772 1.00 71.42 N ATOM 147 CA PHE A 589 -9.508 7.231 -0.015 1.00 3.45 C ATOM 148 C PHE A 589 -8.309 8.105 -0.343 1.00 52.12 C ATOM 149 O PHE A 589 -7.173 7.695 -0.165 1.00 44.12 O ATOM 150 CB PHE A 589 -9.554 6.926 1.494 1.00 15.52 C ATOM 151 CG PHE A 589 -10.834 6.268 1.906 1.00 24.12 C ATOM 152 CD1 PHE A 589 -12.013 6.931 1.716 1.00 30.43 C ATOM 153 CD2 PHE A 589 -10.863 4.994 2.456 1.00 41.22 C ATOM 154 CE1 PHE A 589 -13.203 6.374 2.056 1.00 41.05 C ATOM 155 CE2 PHE A 589 -12.076 4.409 2.811 1.00 35.12 C ATOM 156 CZ PHE A 589 -13.247 5.106 2.606 1.00 2.23 C ATOM 0 H PHE A 589 -8.579 5.499 -0.641 1.00 71.42 H new ATOM 0 HA PHE A 589 -10.422 7.763 -0.279 1.00 3.45 H new ATOM 0 HB2 PHE A 589 -8.716 6.280 1.757 1.00 15.52 H new ATOM 0 HB3 PHE A 589 -9.429 7.853 2.053 1.00 15.52 H new ATOM 0 HD1 PHE A 589 -11.998 7.921 1.285 1.00 30.43 H new ATOM 0 HD2 PHE A 589 -9.941 4.454 2.609 1.00 41.22 H new ATOM 0 HE1 PHE A 589 -14.119 6.923 1.896 1.00 41.05 H new ATOM 0 HE2 PHE A 589 -12.099 3.419 3.243 1.00 35.12 H new ATOM 0 HZ PHE A 589 -14.195 4.664 2.874 1.00 2.23 H new ATOM 166 N GLU A 590 -8.557 9.280 -0.852 1.00 1.34 N ATOM 167 CA GLU A 590 -7.495 10.215 -1.132 1.00 55.43 C ATOM 168 C GLU A 590 -7.534 11.315 -0.117 1.00 34.41 C ATOM 169 O GLU A 590 -8.589 11.882 0.160 1.00 72.32 O ATOM 170 CB GLU A 590 -7.523 10.750 -2.571 1.00 62.50 C ATOM 171 CG GLU A 590 -7.304 9.662 -3.607 1.00 70.10 C ATOM 172 CD GLU A 590 -7.156 10.177 -5.019 1.00 31.34 C ATOM 173 OE1 GLU A 590 -8.182 10.386 -5.693 1.00 13.33 O ATOM 174 OE2 GLU A 590 -6.014 10.357 -5.481 1.00 74.52 O ATOM 0 H GLU A 590 -9.491 9.617 -1.084 1.00 1.34 H new ATOM 0 HA GLU A 590 -6.545 9.686 -1.053 1.00 55.43 H new ATOM 0 HB2 GLU A 590 -8.482 11.233 -2.756 1.00 62.50 H new ATOM 0 HB3 GLU A 590 -6.754 11.514 -2.685 1.00 62.50 H new ATOM 0 HG2 GLU A 590 -6.410 9.097 -3.342 1.00 70.10 H new ATOM 0 HG3 GLU A 590 -8.143 8.967 -3.571 1.00 70.10 H new ATOM 181 N VAL A 591 -6.416 11.592 0.443 1.00 72.14 N ATOM 182 CA VAL A 591 -6.304 12.503 1.549 1.00 55.11 C ATOM 183 C VAL A 591 -5.398 13.660 1.186 1.00 61.40 C ATOM 184 O VAL A 591 -4.245 13.462 0.908 1.00 54.25 O ATOM 185 CB VAL A 591 -5.718 11.737 2.764 1.00 22.13 C ATOM 186 CG1 VAL A 591 -5.524 12.638 3.968 1.00 14.30 C ATOM 187 CG2 VAL A 591 -6.621 10.582 3.123 1.00 24.44 C ATOM 0 H VAL A 591 -5.526 11.190 0.148 1.00 72.14 H new ATOM 0 HA VAL A 591 -7.288 12.901 1.797 1.00 55.11 H new ATOM 0 HB VAL A 591 -4.736 11.363 2.476 1.00 22.13 H new ATOM 0 HG11 VAL A 591 -5.112 12.058 4.794 1.00 14.30 H new ATOM 0 HG12 VAL A 591 -4.836 13.444 3.712 1.00 14.30 H new ATOM 0 HG13 VAL A 591 -6.484 13.060 4.265 1.00 14.30 H new ATOM 0 HG21 VAL A 591 -6.205 10.047 3.977 1.00 24.44 H new ATOM 0 HG22 VAL A 591 -7.611 10.960 3.378 1.00 24.44 H new ATOM 0 HG23 VAL A 591 -6.700 9.904 2.273 1.00 24.44 H new ATOM 197 N PRO A 592 -5.905 14.875 1.173 1.00 42.03 N ATOM 198 CA PRO A 592 -5.097 16.037 0.840 1.00 4.32 C ATOM 199 C PRO A 592 -4.151 16.400 1.976 1.00 1.01 C ATOM 200 O PRO A 592 -4.463 16.169 3.150 1.00 25.41 O ATOM 201 CB PRO A 592 -6.135 17.133 0.630 1.00 63.44 C ATOM 202 CG PRO A 592 -7.257 16.746 1.523 1.00 2.23 C ATOM 203 CD PRO A 592 -7.303 15.243 1.494 1.00 60.24 C ATOM 0 HA PRO A 592 -4.459 15.873 -0.028 1.00 4.32 H new ATOM 0 HB2 PRO A 592 -5.738 18.114 0.892 1.00 63.44 H new ATOM 0 HB3 PRO A 592 -6.454 17.186 -0.411 1.00 63.44 H new ATOM 0 HG2 PRO A 592 -7.095 17.113 2.536 1.00 2.23 H new ATOM 0 HG3 PRO A 592 -8.198 17.173 1.176 1.00 2.23 H new ATOM 0 HD2 PRO A 592 -7.620 14.830 2.452 1.00 60.24 H new ATOM 0 HD3 PRO A 592 -8.001 14.875 0.742 1.00 60.24 H new ATOM 211 N LEU A 593 -2.990 16.943 1.644 1.00 45.13 N ATOM 212 CA LEU A 593 -2.058 17.396 2.674 1.00 12.24 C ATOM 213 C LEU A 593 -2.518 18.719 3.259 1.00 5.22 C ATOM 214 O LEU A 593 -1.903 19.768 3.058 1.00 21.53 O ATOM 215 CB LEU A 593 -0.575 17.457 2.202 1.00 31.12 C ATOM 216 CG LEU A 593 0.208 16.120 2.076 1.00 24.43 C ATOM 217 CD1 LEU A 593 0.351 15.441 3.433 1.00 5.35 C ATOM 218 CD2 LEU A 593 -0.434 15.171 1.071 1.00 13.34 C ATOM 0 H LEU A 593 -2.670 17.081 0.685 1.00 45.13 H new ATOM 0 HA LEU A 593 -2.072 16.639 3.458 1.00 12.24 H new ATOM 0 HB2 LEU A 593 -0.554 17.949 1.229 1.00 31.12 H new ATOM 0 HB3 LEU A 593 -0.030 18.098 2.895 1.00 31.12 H new ATOM 0 HG LEU A 593 1.202 16.369 1.703 1.00 24.43 H new ATOM 0 HD11 LEU A 593 0.902 14.508 3.317 1.00 5.35 H new ATOM 0 HD12 LEU A 593 0.891 16.099 4.114 1.00 5.35 H new ATOM 0 HD13 LEU A 593 -0.638 15.230 3.840 1.00 5.35 H new ATOM 0 HD21 LEU A 593 0.148 14.251 1.017 1.00 13.34 H new ATOM 0 HD22 LEU A 593 -1.451 14.939 1.388 1.00 13.34 H new ATOM 0 HD23 LEU A 593 -0.458 15.643 0.089 1.00 13.34 H new ATOM 230 N ASN A 594 -3.641 18.656 3.922 1.00 64.41 N ATOM 231 CA ASN A 594 -4.277 19.821 4.539 1.00 23.42 C ATOM 232 C ASN A 594 -4.024 19.826 6.014 1.00 42.12 C ATOM 233 O ASN A 594 -3.220 20.614 6.515 1.00 45.15 O ATOM 234 CB ASN A 594 -5.795 19.868 4.252 1.00 33.14 C ATOM 235 CG ASN A 594 -6.152 20.219 2.811 1.00 30.55 C ATOM 236 OD1 ASN A 594 -5.391 19.955 1.873 1.00 43.31 O ATOM 237 ND2 ASN A 594 -7.319 20.796 2.620 1.00 53.32 N ATOM 0 H ASN A 594 -4.159 17.788 4.059 1.00 64.41 H new ATOM 0 HA ASN A 594 -3.834 20.713 4.096 1.00 23.42 H new ATOM 0 HB2 ASN A 594 -6.229 18.898 4.495 1.00 33.14 H new ATOM 0 HB3 ASN A 594 -6.256 20.599 4.916 1.00 33.14 H new ATOM 0 HD21 ASN A 594 -7.619 21.039 1.676 1.00 53.32 H new ATOM 0 HD22 ASN A 594 -7.923 21.000 3.416 1.00 53.32 H new ATOM 244 N ASP A 595 -4.671 18.919 6.717 1.00 31.45 N ATOM 245 CA ASP A 595 -4.467 18.751 8.159 1.00 74.10 C ATOM 246 C ASP A 595 -3.256 17.892 8.397 1.00 11.51 C ATOM 247 O ASP A 595 -3.287 16.924 9.161 1.00 14.51 O ATOM 248 CB ASP A 595 -5.697 18.136 8.834 1.00 45.54 C ATOM 249 CG ASP A 595 -6.879 19.054 8.845 1.00 63.55 C ATOM 250 OD1 ASP A 595 -7.642 19.070 7.876 1.00 23.14 O ATOM 251 OD2 ASP A 595 -7.060 19.790 9.831 1.00 75.32 O ATOM 0 H ASP A 595 -5.353 18.275 6.316 1.00 31.45 H new ATOM 0 HA ASP A 595 -4.310 19.735 8.600 1.00 74.10 H new ATOM 0 HB2 ASP A 595 -5.965 17.214 8.318 1.00 45.54 H new ATOM 0 HB3 ASP A 595 -5.445 17.865 9.859 1.00 45.54 H new ATOM 256 N SER A 596 -2.194 18.271 7.764 1.00 73.15 N ATOM 257 CA SER A 596 -0.967 17.578 7.823 1.00 54.22 C ATOM 258 C SER A 596 0.062 18.470 8.472 1.00 0.01 C ATOM 259 O SER A 596 0.449 19.512 7.923 1.00 65.01 O ATOM 260 CB SER A 596 -0.548 17.225 6.413 1.00 22.32 C ATOM 261 OG SER A 596 -1.622 16.594 5.723 1.00 74.44 O ATOM 0 H SER A 596 -2.165 19.102 7.173 1.00 73.15 H new ATOM 0 HA SER A 596 -1.063 16.664 8.408 1.00 54.22 H new ATOM 0 HB2 SER A 596 -0.244 18.126 5.880 1.00 22.32 H new ATOM 0 HB3 SER A 596 0.317 16.562 6.438 1.00 22.32 H new ATOM 0 HG SER A 596 -1.704 15.665 6.024 1.00 74.44 H new ATOM 267 N GLY A 597 0.467 18.086 9.627 1.00 41.41 N ATOM 268 CA GLY A 597 1.443 18.814 10.355 1.00 10.45 C ATOM 269 C GLY A 597 1.774 18.099 11.629 1.00 5.43 C ATOM 270 O GLY A 597 2.935 17.865 11.934 1.00 4.44 O ATOM 0 H GLY A 597 0.127 17.248 10.100 1.00 41.41 H new ATOM 0 HA2 GLY A 597 2.343 18.934 9.752 1.00 10.45 H new ATOM 0 HA3 GLY A 597 1.072 19.815 10.576 1.00 10.45 H new ATOM 274 N SER A 598 0.750 17.736 12.376 1.00 41.10 N ATOM 275 CA SER A 598 0.939 16.947 13.576 1.00 21.33 C ATOM 276 C SER A 598 0.950 15.480 13.198 1.00 42.21 C ATOM 277 O SER A 598 1.503 14.625 13.903 1.00 43.11 O ATOM 278 CB SER A 598 -0.147 17.248 14.595 1.00 23.41 C ATOM 279 OG SER A 598 -0.159 18.632 14.909 1.00 55.41 O ATOM 0 H SER A 598 -0.221 17.975 12.173 1.00 41.10 H new ATOM 0 HA SER A 598 1.892 17.203 14.039 1.00 21.33 H new ATOM 0 HB2 SER A 598 -1.118 16.949 14.200 1.00 23.41 H new ATOM 0 HB3 SER A 598 0.022 16.664 15.500 1.00 23.41 H new ATOM 0 HG SER A 598 -0.864 18.812 15.565 1.00 55.41 H new ATOM 285 N ALA A 599 0.352 15.221 12.077 1.00 43.24 N ATOM 286 CA ALA A 599 0.291 13.958 11.472 1.00 71.51 C ATOM 287 C ALA A 599 0.065 14.237 10.023 1.00 33.25 C ATOM 288 O ALA A 599 -0.319 15.355 9.681 1.00 4.41 O ATOM 289 CB ALA A 599 -0.843 13.132 12.055 1.00 12.03 C ATOM 0 H ALA A 599 -0.131 15.941 11.540 1.00 43.24 H new ATOM 0 HA ALA A 599 1.200 13.379 11.637 1.00 71.51 H new ATOM 0 HB1 ALA A 599 -0.870 12.157 11.569 1.00 12.03 H new ATOM 0 HB2 ALA A 599 -0.684 13.000 13.125 1.00 12.03 H new ATOM 0 HB3 ALA A 599 -1.790 13.646 11.889 1.00 12.03 H new ATOM 295 N GLY A 600 0.310 13.291 9.197 1.00 51.45 N ATOM 296 CA GLY A 600 0.150 13.488 7.776 1.00 32.24 C ATOM 297 C GLY A 600 -1.273 13.272 7.367 1.00 74.54 C ATOM 298 O GLY A 600 -1.920 14.161 6.816 1.00 62.25 O ATOM 0 H GLY A 600 0.625 12.359 9.466 1.00 51.45 H new ATOM 0 HA2 GLY A 600 0.461 14.497 7.507 1.00 32.24 H new ATOM 0 HA3 GLY A 600 0.798 12.799 7.234 1.00 32.24 H new ATOM 302 N LEU A 601 -1.764 12.107 7.647 1.00 71.42 N ATOM 303 CA LEU A 601 -3.129 11.766 7.358 1.00 64.11 C ATOM 304 C LEU A 601 -3.907 11.840 8.626 1.00 64.33 C ATOM 305 O LEU A 601 -5.113 12.117 8.620 1.00 52.42 O ATOM 306 CB LEU A 601 -3.255 10.350 6.752 1.00 14.22 C ATOM 307 CG LEU A 601 -2.694 10.133 5.329 1.00 11.22 C ATOM 308 CD1 LEU A 601 -1.203 10.319 5.267 1.00 63.44 C ATOM 309 CD2 LEU A 601 -3.070 8.770 4.813 1.00 2.31 C ATOM 0 H LEU A 601 -1.229 11.357 8.086 1.00 71.42 H new ATOM 0 HA LEU A 601 -3.516 12.469 6.620 1.00 64.11 H new ATOM 0 HB2 LEU A 601 -2.754 9.651 7.422 1.00 14.22 H new ATOM 0 HB3 LEU A 601 -4.311 10.081 6.742 1.00 14.22 H new ATOM 0 HG LEU A 601 -3.143 10.894 4.691 1.00 11.22 H new ATOM 0 HD11 LEU A 601 -0.858 10.156 4.246 1.00 63.44 H new ATOM 0 HD12 LEU A 601 -0.950 11.333 5.578 1.00 63.44 H new ATOM 0 HD13 LEU A 601 -0.719 9.604 5.932 1.00 63.44 H new ATOM 0 HD21 LEU A 601 -2.666 8.637 3.810 1.00 2.31 H new ATOM 0 HD22 LEU A 601 -2.661 8.005 5.474 1.00 2.31 H new ATOM 0 HD23 LEU A 601 -4.156 8.680 4.782 1.00 2.31 H new ATOM 321 N GLY A 602 -3.201 11.601 9.717 1.00 43.03 N ATOM 322 CA GLY A 602 -3.779 11.606 10.997 1.00 51.41 C ATOM 323 C GLY A 602 -4.445 10.312 11.237 1.00 55.23 C ATOM 324 O GLY A 602 -5.616 10.248 11.577 1.00 34.44 O ATOM 0 H GLY A 602 -2.201 11.399 9.711 1.00 43.03 H new ATOM 0 HA2 GLY A 602 -3.014 11.780 11.753 1.00 51.41 H new ATOM 0 HA3 GLY A 602 -4.500 12.420 11.080 1.00 51.41 H new ATOM 328 N VAL A 603 -3.708 9.262 11.008 1.00 62.12 N ATOM 329 CA VAL A 603 -4.196 7.940 11.239 1.00 71.51 C ATOM 330 C VAL A 603 -3.111 7.182 11.963 1.00 71.20 C ATOM 331 O VAL A 603 -1.921 7.473 11.781 1.00 52.50 O ATOM 332 CB VAL A 603 -4.470 7.207 9.873 1.00 13.20 C ATOM 333 CG1 VAL A 603 -5.062 5.838 10.074 1.00 14.54 C ATOM 334 CG2 VAL A 603 -5.344 8.031 8.944 1.00 63.43 C ATOM 0 H VAL A 603 -2.752 9.303 10.656 1.00 62.12 H new ATOM 0 HA VAL A 603 -5.122 7.984 11.813 1.00 71.51 H new ATOM 0 HB VAL A 603 -3.497 7.086 9.396 1.00 13.20 H new ATOM 0 HG11 VAL A 603 -5.234 5.370 9.105 1.00 14.54 H new ATOM 0 HG12 VAL A 603 -4.373 5.225 10.655 1.00 14.54 H new ATOM 0 HG13 VAL A 603 -6.008 5.926 10.608 1.00 14.54 H new ATOM 0 HG21 VAL A 603 -5.505 7.484 8.015 1.00 63.43 H new ATOM 0 HG22 VAL A 603 -6.304 8.223 9.423 1.00 63.43 H new ATOM 0 HG23 VAL A 603 -4.851 8.979 8.726 1.00 63.43 H new ATOM 344 N SER A 604 -3.488 6.232 12.755 1.00 53.34 N ATOM 345 CA SER A 604 -2.540 5.377 13.352 1.00 42.04 C ATOM 346 C SER A 604 -2.716 4.038 12.710 1.00 11.14 C ATOM 347 O SER A 604 -3.844 3.565 12.562 1.00 61.12 O ATOM 348 CB SER A 604 -2.747 5.290 14.870 1.00 24.45 C ATOM 349 OG SER A 604 -2.719 6.584 15.453 1.00 23.24 O ATOM 0 H SER A 604 -4.458 6.035 13.000 1.00 53.34 H new ATOM 0 HA SER A 604 -1.528 5.755 13.203 1.00 42.04 H new ATOM 0 HB2 SER A 604 -3.701 4.809 15.085 1.00 24.45 H new ATOM 0 HB3 SER A 604 -1.969 4.668 15.314 1.00 24.45 H new ATOM 0 HG SER A 604 -2.854 6.510 16.421 1.00 23.24 H new ATOM 355 N VAL A 605 -1.655 3.448 12.303 1.00 63.40 N ATOM 356 CA VAL A 605 -1.699 2.171 11.677 1.00 71.00 C ATOM 357 C VAL A 605 -0.826 1.179 12.380 1.00 23.53 C ATOM 358 O VAL A 605 0.075 1.537 13.118 1.00 4.12 O ATOM 359 CB VAL A 605 -1.335 2.193 10.182 1.00 65.45 C ATOM 360 CG1 VAL A 605 -2.469 2.735 9.333 1.00 15.21 C ATOM 361 CG2 VAL A 605 -0.062 2.992 9.921 1.00 22.42 C ATOM 0 H VAL A 605 -0.717 3.839 12.394 1.00 63.40 H new ATOM 0 HA VAL A 605 -2.743 1.866 11.753 1.00 71.00 H new ATOM 0 HB VAL A 605 -1.156 1.157 9.894 1.00 65.45 H new ATOM 0 HG11 VAL A 605 -2.171 2.734 8.284 1.00 15.21 H new ATOM 0 HG12 VAL A 605 -3.351 2.107 9.461 1.00 15.21 H new ATOM 0 HG13 VAL A 605 -2.701 3.754 9.643 1.00 15.21 H new ATOM 0 HG21 VAL A 605 0.161 2.983 8.854 1.00 22.42 H new ATOM 0 HG22 VAL A 605 -0.203 4.020 10.254 1.00 22.42 H new ATOM 0 HG23 VAL A 605 0.767 2.544 10.468 1.00 22.42 H new ATOM 371 N LYS A 606 -1.114 -0.046 12.163 1.00 2.11 N ATOM 372 CA LYS A 606 -0.385 -1.140 12.774 1.00 53.41 C ATOM 373 C LYS A 606 -0.384 -2.313 11.870 1.00 61.30 C ATOM 374 O LYS A 606 -1.282 -2.473 11.069 1.00 15.41 O ATOM 375 CB LYS A 606 -0.941 -1.547 14.139 1.00 54.42 C ATOM 376 CG LYS A 606 -2.363 -2.073 14.112 1.00 71.43 C ATOM 377 CD LYS A 606 -2.801 -2.501 15.490 1.00 42.41 C ATOM 378 CE LYS A 606 -4.257 -2.943 15.486 1.00 44.30 C ATOM 379 NZ LYS A 606 -4.740 -3.319 16.830 1.00 1.43 N ATOM 0 H LYS A 606 -1.872 -0.345 11.549 1.00 2.11 H new ATOM 0 HA LYS A 606 0.632 -0.783 12.937 1.00 53.41 H new ATOM 0 HB2 LYS A 606 -0.293 -2.312 14.567 1.00 54.42 H new ATOM 0 HB3 LYS A 606 -0.899 -0.685 14.805 1.00 54.42 H new ATOM 0 HG2 LYS A 606 -3.034 -1.301 13.735 1.00 71.43 H new ATOM 0 HG3 LYS A 606 -2.431 -2.917 13.425 1.00 71.43 H new ATOM 0 HD2 LYS A 606 -2.170 -3.318 15.839 1.00 42.41 H new ATOM 0 HD3 LYS A 606 -2.669 -1.676 16.190 1.00 42.41 H new ATOM 0 HE2 LYS A 606 -4.877 -2.137 15.094 1.00 44.30 H new ATOM 0 HE3 LYS A 606 -4.373 -3.791 14.812 1.00 44.30 H new ATOM 0 HZ1 LYS A 606 -5.736 -3.612 16.772 1.00 1.43 H new ATOM 0 HZ2 LYS A 606 -4.168 -4.107 17.196 1.00 1.43 H new ATOM 0 HZ3 LYS A 606 -4.656 -2.503 17.470 1.00 1.43 H new ATOM 393 N GLY A 607 0.591 -3.110 11.986 1.00 0.44 N ATOM 394 CA GLY A 607 0.673 -4.248 11.158 1.00 12.03 C ATOM 395 C GLY A 607 0.463 -5.485 11.944 1.00 4.05 C ATOM 396 O GLY A 607 1.001 -5.629 13.042 1.00 13.23 O ATOM 0 H GLY A 607 1.356 -3.001 12.652 1.00 0.44 H new ATOM 0 HA2 GLY A 607 -0.074 -4.183 10.367 1.00 12.03 H new ATOM 0 HA3 GLY A 607 1.648 -4.281 10.673 1.00 12.03 H new ATOM 400 N ASN A 608 -0.335 -6.356 11.421 1.00 45.22 N ATOM 401 CA ASN A 608 -0.571 -7.622 12.049 1.00 40.40 C ATOM 402 C ASN A 608 0.201 -8.652 11.303 1.00 11.23 C ATOM 403 O ASN A 608 0.125 -8.733 10.079 1.00 64.22 O ATOM 404 CB ASN A 608 -2.063 -8.000 12.093 1.00 61.53 C ATOM 405 CG ASN A 608 -2.906 -7.100 12.985 1.00 63.34 C ATOM 406 OD1 ASN A 608 -3.079 -7.359 14.175 1.00 5.22 O ATOM 407 ND2 ASN A 608 -3.445 -6.058 12.422 1.00 71.23 N ATOM 0 H ASN A 608 -0.843 -6.215 10.548 1.00 45.22 H new ATOM 0 HA ASN A 608 -0.246 -7.560 13.088 1.00 40.40 H new ATOM 0 HB2 ASN A 608 -2.465 -7.969 11.080 1.00 61.53 H new ATOM 0 HB3 ASN A 608 -2.156 -9.029 12.441 1.00 61.53 H new ATOM 0 HD21 ASN A 608 -4.031 -5.428 12.970 1.00 71.23 H new ATOM 0 HD22 ASN A 608 -3.282 -5.871 11.433 1.00 71.23 H new ATOM 414 N ARG A 609 0.972 -9.391 11.990 1.00 13.35 N ATOM 415 CA ARG A 609 1.771 -10.393 11.382 1.00 22.03 C ATOM 416 C ARG A 609 1.484 -11.723 12.011 1.00 24.50 C ATOM 417 O ARG A 609 1.472 -11.855 13.236 1.00 44.13 O ATOM 418 CB ARG A 609 3.255 -10.035 11.513 1.00 23.03 C ATOM 419 CG ARG A 609 4.210 -11.017 10.853 1.00 51.11 C ATOM 420 CD ARG A 609 5.647 -10.563 11.023 1.00 70.53 C ATOM 421 NE ARG A 609 6.599 -11.469 10.379 1.00 34.41 N ATOM 422 CZ ARG A 609 7.936 -11.335 10.419 1.00 3.21 C ATOM 423 NH1 ARG A 609 8.505 -10.388 11.182 1.00 44.45 N ATOM 424 NH2 ARG A 609 8.696 -12.171 9.725 1.00 2.02 N ATOM 0 H ARG A 609 1.075 -9.324 13.003 1.00 13.35 H new ATOM 0 HA ARG A 609 1.528 -10.453 10.321 1.00 22.03 H new ATOM 0 HB2 ARG A 609 3.415 -9.048 11.080 1.00 23.03 H new ATOM 0 HB3 ARG A 609 3.505 -9.963 12.572 1.00 23.03 H new ATOM 0 HG2 ARG A 609 4.082 -12.007 11.291 1.00 51.11 H new ATOM 0 HG3 ARG A 609 3.974 -11.105 9.792 1.00 51.11 H new ATOM 0 HD2 ARG A 609 5.761 -9.563 10.604 1.00 70.53 H new ATOM 0 HD3 ARG A 609 5.879 -10.492 12.086 1.00 70.53 H new ATOM 0 HE ARG A 609 6.220 -12.262 9.861 1.00 34.41 H new ATOM 0 HH11 ARG A 609 7.922 -9.762 11.738 1.00 44.45 H new ATOM 0 HH12 ARG A 609 9.520 -10.294 11.206 1.00 44.45 H new ATOM 0 HH21 ARG A 609 8.265 -12.908 9.167 1.00 2.02 H new ATOM 0 HH22 ARG A 609 9.711 -12.077 9.749 1.00 2.02 H new ATOM 438 N SER A 610 1.213 -12.687 11.198 1.00 1.32 N ATOM 439 CA SER A 610 1.016 -14.016 11.679 1.00 43.55 C ATOM 440 C SER A 610 2.362 -14.743 11.645 1.00 45.11 C ATOM 441 O SER A 610 2.793 -15.206 10.593 1.00 12.43 O ATOM 442 CB SER A 610 -0.018 -14.735 10.815 1.00 44.21 C ATOM 443 OG SER A 610 -1.253 -14.032 10.799 1.00 12.54 O ATOM 0 H SER A 610 1.122 -12.580 10.188 1.00 1.32 H new ATOM 0 HA SER A 610 0.639 -14.000 12.702 1.00 43.55 H new ATOM 0 HB2 SER A 610 0.360 -14.834 9.798 1.00 44.21 H new ATOM 0 HB3 SER A 610 -0.176 -15.744 11.196 1.00 44.21 H new ATOM 0 HG SER A 610 -1.971 -14.639 10.523 1.00 12.54 H new ATOM 518 N ALA A 615 3.147 -15.162 7.483 1.00 55.24 N ATOM 519 CA ALA A 615 2.625 -14.194 6.575 1.00 5.13 C ATOM 520 C ALA A 615 2.124 -12.996 7.321 1.00 42.42 C ATOM 521 O ALA A 615 1.534 -13.118 8.398 1.00 53.04 O ATOM 522 CB ALA A 615 1.508 -14.793 5.750 1.00 33.11 C ATOM 0 HA ALA A 615 3.427 -13.882 5.906 1.00 5.13 H new ATOM 0 HB1 ALA A 615 1.120 -14.042 5.062 1.00 33.11 H new ATOM 0 HB2 ALA A 615 1.890 -15.642 5.183 1.00 33.11 H new ATOM 0 HB3 ALA A 615 0.708 -15.128 6.410 1.00 33.11 H new ATOM 528 N ASP A 616 2.380 -11.851 6.781 1.00 60.05 N ATOM 529 CA ASP A 616 1.879 -10.633 7.332 1.00 11.42 C ATOM 530 C ASP A 616 0.455 -10.454 6.863 1.00 42.33 C ATOM 531 O ASP A 616 0.098 -10.877 5.763 1.00 50.11 O ATOM 532 CB ASP A 616 2.739 -9.437 6.900 1.00 73.53 C ATOM 533 CG ASP A 616 2.717 -9.201 5.402 1.00 30.01 C ATOM 534 OD1 ASP A 616 3.399 -9.954 4.667 1.00 31.35 O ATOM 535 OD2 ASP A 616 2.039 -8.278 4.946 1.00 34.12 O ATOM 0 H ASP A 616 2.946 -11.732 5.941 1.00 60.05 H new ATOM 0 HA ASP A 616 1.915 -10.682 8.420 1.00 11.42 H new ATOM 0 HB2 ASP A 616 2.386 -8.540 7.409 1.00 73.53 H new ATOM 0 HB3 ASP A 616 3.768 -9.601 7.221 1.00 73.53 H new ATOM 540 N LEU A 617 -0.359 -9.872 7.689 1.00 21.22 N ATOM 541 CA LEU A 617 -1.746 -9.645 7.345 1.00 43.33 C ATOM 542 C LEU A 617 -1.883 -8.256 6.769 1.00 61.34 C ATOM 543 O LEU A 617 -2.954 -7.855 6.304 1.00 14.43 O ATOM 544 CB LEU A 617 -2.634 -9.798 8.583 1.00 25.41 C ATOM 545 CG LEU A 617 -2.540 -11.136 9.322 1.00 62.42 C ATOM 546 CD1 LEU A 617 -3.498 -11.168 10.498 1.00 20.12 C ATOM 547 CD2 LEU A 617 -2.797 -12.302 8.376 1.00 33.42 C ATOM 0 H LEU A 617 -0.092 -9.540 8.616 1.00 21.22 H new ATOM 0 HA LEU A 617 -2.066 -10.381 6.607 1.00 43.33 H new ATOM 0 HB2 LEU A 617 -2.385 -9.001 9.284 1.00 25.41 H new ATOM 0 HB3 LEU A 617 -3.670 -9.645 8.282 1.00 25.41 H new ATOM 0 HG LEU A 617 -1.526 -11.239 9.709 1.00 62.42 H new ATOM 0 HD11 LEU A 617 -3.415 -12.127 11.009 1.00 20.12 H new ATOM 0 HD12 LEU A 617 -3.250 -10.365 11.192 1.00 20.12 H new ATOM 0 HD13 LEU A 617 -4.519 -11.035 10.139 1.00 20.12 H new ATOM 0 HD21 LEU A 617 -2.724 -13.240 8.926 1.00 33.42 H new ATOM 0 HD22 LEU A 617 -3.795 -12.209 7.947 1.00 33.42 H new ATOM 0 HD23 LEU A 617 -2.056 -12.292 7.577 1.00 33.42 H new ATOM 559 N GLY A 618 -0.791 -7.532 6.826 1.00 42.24 N ATOM 560 CA GLY A 618 -0.743 -6.213 6.285 1.00 23.33 C ATOM 561 C GLY A 618 -0.862 -5.149 7.340 1.00 31.42 C ATOM 562 O GLY A 618 -0.984 -5.446 8.548 1.00 1.14 O ATOM 0 H GLY A 618 0.082 -7.848 7.249 1.00 42.24 H new ATOM 0 HA2 GLY A 618 0.194 -6.080 5.745 1.00 23.33 H new ATOM 0 HA3 GLY A 618 -1.548 -6.092 5.560 1.00 23.33 H new ATOM 566 N ILE A 619 -0.832 -3.923 6.896 1.00 34.04 N ATOM 567 CA ILE A 619 -0.952 -2.780 7.755 1.00 35.32 C ATOM 568 C ILE A 619 -2.428 -2.399 7.851 1.00 52.13 C ATOM 569 O ILE A 619 -3.090 -2.225 6.837 1.00 22.05 O ATOM 570 CB ILE A 619 -0.141 -1.577 7.172 1.00 62.42 C ATOM 571 CG1 ILE A 619 1.364 -1.913 7.055 1.00 74.34 C ATOM 572 CG2 ILE A 619 -0.340 -0.323 8.009 1.00 1.01 C ATOM 573 CD1 ILE A 619 2.062 -2.173 8.378 1.00 3.32 C ATOM 0 H ILE A 619 -0.722 -3.687 5.910 1.00 34.04 H new ATOM 0 HA ILE A 619 -0.557 -3.021 8.742 1.00 35.32 H new ATOM 0 HB ILE A 619 -0.524 -1.385 6.170 1.00 62.42 H new ATOM 0 HG12 ILE A 619 1.478 -2.792 6.421 1.00 74.34 H new ATOM 0 HG13 ILE A 619 1.868 -1.089 6.550 1.00 74.34 H new ATOM 0 HG21 ILE A 619 0.236 0.496 7.579 1.00 1.01 H new ATOM 0 HG22 ILE A 619 -1.397 -0.057 8.020 1.00 1.01 H new ATOM 0 HG23 ILE A 619 -0.002 -0.509 9.028 1.00 1.01 H new ATOM 0 HD11 ILE A 619 3.113 -2.400 8.197 1.00 3.32 H new ATOM 0 HD12 ILE A 619 1.986 -1.288 9.010 1.00 3.32 H new ATOM 0 HD13 ILE A 619 1.589 -3.018 8.879 1.00 3.32 H new ATOM 585 N PHE A 620 -2.923 -2.290 9.050 1.00 0.13 N ATOM 586 CA PHE A 620 -4.305 -1.952 9.299 1.00 35.35 C ATOM 587 C PHE A 620 -4.407 -0.656 10.076 1.00 72.10 C ATOM 588 O PHE A 620 -3.514 -0.308 10.848 1.00 42.04 O ATOM 589 CB PHE A 620 -5.018 -3.043 10.105 1.00 13.42 C ATOM 590 CG PHE A 620 -5.152 -4.384 9.440 1.00 21.04 C ATOM 591 CD1 PHE A 620 -4.117 -5.299 9.481 1.00 11.12 C ATOM 592 CD2 PHE A 620 -6.339 -4.748 8.814 1.00 72.53 C ATOM 593 CE1 PHE A 620 -4.257 -6.545 8.917 1.00 11.30 C ATOM 594 CE2 PHE A 620 -6.477 -5.994 8.241 1.00 22.11 C ATOM 595 CZ PHE A 620 -5.438 -6.895 8.297 1.00 55.10 C ATOM 0 H PHE A 620 -2.375 -2.434 9.898 1.00 0.13 H new ATOM 0 HA PHE A 620 -4.782 -1.850 8.324 1.00 35.35 H new ATOM 0 HB2 PHE A 620 -4.482 -3.179 11.044 1.00 13.42 H new ATOM 0 HB3 PHE A 620 -6.016 -2.685 10.357 1.00 13.42 H new ATOM 0 HD1 PHE A 620 -3.187 -5.032 9.962 1.00 11.12 H new ATOM 0 HD2 PHE A 620 -7.161 -4.048 8.776 1.00 72.53 H new ATOM 0 HE1 PHE A 620 -3.441 -7.251 8.960 1.00 11.30 H new ATOM 0 HE2 PHE A 620 -7.400 -6.263 7.748 1.00 22.11 H new ATOM 0 HZ PHE A 620 -5.548 -7.875 7.856 1.00 55.10 H new ATOM 605 N VAL A 621 -5.480 0.052 9.852 1.00 5.51 N ATOM 606 CA VAL A 621 -5.790 1.268 10.577 1.00 65.30 C ATOM 607 C VAL A 621 -6.197 0.934 12.001 1.00 32.21 C ATOM 608 O VAL A 621 -7.028 0.075 12.226 1.00 72.02 O ATOM 609 CB VAL A 621 -6.941 2.052 9.898 1.00 50.01 C ATOM 610 CG1 VAL A 621 -7.284 3.309 10.678 1.00 52.14 C ATOM 611 CG2 VAL A 621 -6.564 2.406 8.486 1.00 60.20 C ATOM 0 H VAL A 621 -6.178 -0.198 9.152 1.00 5.51 H new ATOM 0 HA VAL A 621 -4.894 1.889 10.578 1.00 65.30 H new ATOM 0 HB VAL A 621 -7.823 1.412 9.883 1.00 50.01 H new ATOM 0 HG11 VAL A 621 -8.095 3.838 10.177 1.00 52.14 H new ATOM 0 HG12 VAL A 621 -7.596 3.038 11.686 1.00 52.14 H new ATOM 0 HG13 VAL A 621 -6.408 3.955 10.731 1.00 52.14 H new ATOM 0 HG21 VAL A 621 -7.380 2.957 8.019 1.00 60.20 H new ATOM 0 HG22 VAL A 621 -5.666 3.024 8.493 1.00 60.20 H new ATOM 0 HG23 VAL A 621 -6.372 1.494 7.921 1.00 60.20 H new ATOM 621 N LYS A 622 -5.613 1.607 12.931 1.00 74.41 N ATOM 622 CA LYS A 622 -5.918 1.430 14.327 1.00 22.41 C ATOM 623 C LYS A 622 -7.054 2.334 14.693 1.00 51.25 C ATOM 624 O LYS A 622 -8.134 1.891 15.068 1.00 14.43 O ATOM 625 CB LYS A 622 -4.728 1.859 15.144 1.00 70.24 C ATOM 626 CG LYS A 622 -3.463 1.118 14.856 1.00 13.10 C ATOM 627 CD LYS A 622 -2.287 1.782 15.537 1.00 0.41 C ATOM 628 CE LYS A 622 -2.569 2.017 17.019 1.00 3.44 C ATOM 629 NZ LYS A 622 -1.455 2.664 17.727 1.00 31.40 N ATOM 0 H LYS A 622 -4.897 2.310 12.750 1.00 74.41 H new ATOM 0 HA LYS A 622 -6.169 0.386 14.515 1.00 22.41 H new ATOM 0 HB2 LYS A 622 -4.555 2.922 14.976 1.00 70.24 H new ATOM 0 HB3 LYS A 622 -4.969 1.739 16.200 1.00 70.24 H new ATOM 0 HG2 LYS A 622 -3.553 0.087 15.199 1.00 13.10 H new ATOM 0 HG3 LYS A 622 -3.294 1.082 13.780 1.00 13.10 H new ATOM 0 HD2 LYS A 622 -1.400 1.158 15.427 1.00 0.41 H new ATOM 0 HD3 LYS A 622 -2.070 2.733 15.050 1.00 0.41 H new ATOM 0 HE2 LYS A 622 -3.461 2.635 17.118 1.00 3.44 H new ATOM 0 HE3 LYS A 622 -2.788 1.062 17.496 1.00 3.44 H new ATOM 0 HZ1 LYS A 622 -0.983 1.969 18.340 1.00 31.40 H new ATOM 0 HZ2 LYS A 622 -0.773 3.036 17.035 1.00 31.40 H new ATOM 0 HZ3 LYS A 622 -1.820 3.446 18.308 1.00 31.40 H new ATOM 643 N SER A 623 -6.780 3.602 14.594 1.00 32.34 N ATOM 644 CA SER A 623 -7.694 4.622 14.924 1.00 22.14 C ATOM 645 C SER A 623 -7.434 5.839 14.056 1.00 73.30 C ATOM 646 O SER A 623 -6.332 5.989 13.487 1.00 72.12 O ATOM 647 CB SER A 623 -7.550 4.951 16.408 1.00 43.33 C ATOM 648 OG SER A 623 -6.186 5.188 16.745 1.00 13.22 O ATOM 0 H SER A 623 -5.879 3.952 14.269 1.00 32.34 H new ATOM 0 HA SER A 623 -8.717 4.294 14.739 1.00 22.14 H new ATOM 0 HB2 SER A 623 -8.147 5.831 16.649 1.00 43.33 H new ATOM 0 HB3 SER A 623 -7.939 4.128 17.007 1.00 43.33 H new ATOM 0 HG SER A 623 -6.117 5.399 17.700 1.00 13.22 H new ATOM 654 N ILE A 624 -8.432 6.659 13.915 1.00 14.42 N ATOM 655 CA ILE A 624 -8.342 7.884 13.206 1.00 24.11 C ATOM 656 C ILE A 624 -8.039 9.039 14.170 1.00 4.30 C ATOM 657 O ILE A 624 -8.617 9.128 15.260 1.00 3.43 O ATOM 658 CB ILE A 624 -9.671 8.109 12.408 1.00 20.14 C ATOM 659 CG1 ILE A 624 -9.462 7.932 10.903 1.00 31.34 C ATOM 660 CG2 ILE A 624 -10.365 9.433 12.721 1.00 61.15 C ATOM 661 CD1 ILE A 624 -8.862 6.614 10.481 1.00 74.32 C ATOM 0 H ILE A 624 -9.357 6.481 14.306 1.00 14.42 H new ATOM 0 HA ILE A 624 -7.518 7.847 12.493 1.00 24.11 H new ATOM 0 HB ILE A 624 -10.351 7.330 12.753 1.00 20.14 H new ATOM 0 HG12 ILE A 624 -10.424 8.050 10.404 1.00 31.34 H new ATOM 0 HG13 ILE A 624 -8.817 8.735 10.546 1.00 31.34 H new ATOM 0 HG21 ILE A 624 -11.277 9.515 12.129 1.00 61.15 H new ATOM 0 HG22 ILE A 624 -10.616 9.471 13.781 1.00 61.15 H new ATOM 0 HG23 ILE A 624 -9.698 10.260 12.476 1.00 61.15 H new ATOM 0 HD11 ILE A 624 -8.757 6.593 9.396 1.00 74.32 H new ATOM 0 HD12 ILE A 624 -7.882 6.496 10.943 1.00 74.32 H new ATOM 0 HD13 ILE A 624 -9.513 5.800 10.798 1.00 74.32 H new ATOM 673 N ILE A 625 -7.113 9.876 13.787 1.00 25.21 N ATOM 674 CA ILE A 625 -6.773 11.059 14.537 1.00 34.00 C ATOM 675 C ILE A 625 -7.667 12.172 14.026 1.00 72.14 C ATOM 676 O ILE A 625 -7.571 12.549 12.869 1.00 21.20 O ATOM 677 CB ILE A 625 -5.264 11.443 14.350 1.00 31.24 C ATOM 678 CG1 ILE A 625 -4.359 10.313 14.885 1.00 42.43 C ATOM 679 CG2 ILE A 625 -4.938 12.765 15.042 1.00 44.55 C ATOM 680 CD1 ILE A 625 -2.871 10.575 14.711 1.00 22.50 C ATOM 0 H ILE A 625 -6.565 9.756 12.935 1.00 25.21 H new ATOM 0 HA ILE A 625 -6.922 10.886 15.603 1.00 34.00 H new ATOM 0 HB ILE A 625 -5.076 11.572 13.284 1.00 31.24 H new ATOM 0 HG12 ILE A 625 -4.569 10.164 15.944 1.00 42.43 H new ATOM 0 HG13 ILE A 625 -4.616 9.384 14.375 1.00 42.43 H new ATOM 0 HG21 ILE A 625 -3.885 13.003 14.894 1.00 44.55 H new ATOM 0 HG22 ILE A 625 -5.553 13.559 14.618 1.00 44.55 H new ATOM 0 HG23 ILE A 625 -5.144 12.678 16.109 1.00 44.55 H new ATOM 0 HD11 ILE A 625 -2.304 9.735 15.112 1.00 22.50 H new ATOM 0 HD12 ILE A 625 -2.644 10.693 13.652 1.00 22.50 H new ATOM 0 HD13 ILE A 625 -2.597 11.485 15.245 1.00 22.50 H new ATOM 692 N ASN A 626 -8.543 12.676 14.886 1.00 64.23 N ATOM 693 CA ASN A 626 -9.576 13.675 14.506 1.00 21.23 C ATOM 694 C ASN A 626 -9.028 14.883 13.751 1.00 45.54 C ATOM 695 O ASN A 626 -9.699 15.427 12.870 1.00 53.13 O ATOM 696 CB ASN A 626 -10.406 14.136 15.720 1.00 63.30 C ATOM 697 CG ASN A 626 -11.310 13.050 16.284 1.00 4.12 C ATOM 698 OD1 ASN A 626 -12.454 12.910 15.867 1.00 11.14 O ATOM 699 ND2 ASN A 626 -10.820 12.291 17.230 1.00 62.44 N ATOM 0 H ASN A 626 -8.571 12.414 15.871 1.00 64.23 H new ATOM 0 HA ASN A 626 -10.228 13.145 13.812 1.00 21.23 H new ATOM 0 HB2 ASN A 626 -9.730 14.478 16.504 1.00 63.30 H new ATOM 0 HB3 ASN A 626 -11.016 14.991 15.429 1.00 63.30 H new ATOM 0 HD21 ASN A 626 -11.394 11.556 17.643 1.00 62.44 H new ATOM 0 HD22 ASN A 626 -9.864 12.434 17.554 1.00 62.44 H new ATOM 706 N GLY A 627 -7.824 15.264 14.054 1.00 60.53 N ATOM 707 CA GLY A 627 -7.212 16.396 13.405 1.00 74.12 C ATOM 708 C GLY A 627 -6.380 15.982 12.220 1.00 11.42 C ATOM 709 O GLY A 627 -5.269 16.479 12.019 1.00 41.22 O ATOM 0 H GLY A 627 -7.237 14.807 14.752 1.00 60.53 H new ATOM 0 HA2 GLY A 627 -7.987 17.090 13.080 1.00 74.12 H new ATOM 0 HA3 GLY A 627 -6.585 16.929 14.120 1.00 74.12 H new ATOM 713 N GLY A 628 -6.912 15.073 11.447 1.00 42.21 N ATOM 714 CA GLY A 628 -6.246 14.591 10.282 1.00 30.40 C ATOM 715 C GLY A 628 -7.130 14.704 9.075 1.00 33.33 C ATOM 716 O GLY A 628 -8.365 14.657 9.190 1.00 50.30 O ATOM 0 H GLY A 628 -7.824 14.648 11.615 1.00 42.21 H new ATOM 0 HA2 GLY A 628 -5.330 15.159 10.121 1.00 30.40 H new ATOM 0 HA3 GLY A 628 -5.955 13.551 10.429 1.00 30.40 H new ATOM 720 N ALA A 629 -6.526 14.833 7.923 1.00 45.41 N ATOM 721 CA ALA A 629 -7.262 15.003 6.689 1.00 12.00 C ATOM 722 C ALA A 629 -8.000 13.734 6.270 1.00 74.43 C ATOM 723 O ALA A 629 -9.056 13.803 5.655 1.00 3.12 O ATOM 724 CB ALA A 629 -6.362 15.523 5.596 1.00 52.33 C ATOM 0 H ALA A 629 -5.512 14.824 7.809 1.00 45.41 H new ATOM 0 HA ALA A 629 -8.033 15.752 6.870 1.00 12.00 H new ATOM 0 HB1 ALA A 629 -6.937 15.643 4.678 1.00 52.33 H new ATOM 0 HB2 ALA A 629 -5.948 16.486 5.893 1.00 52.33 H new ATOM 0 HB3 ALA A 629 -5.550 14.816 5.426 1.00 52.33 H new ATOM 730 N ALA A 630 -7.468 12.567 6.627 1.00 31.02 N ATOM 731 CA ALA A 630 -8.126 11.308 6.281 1.00 22.32 C ATOM 732 C ALA A 630 -9.338 11.131 7.132 1.00 31.53 C ATOM 733 O ALA A 630 -10.315 10.479 6.751 1.00 72.41 O ATOM 734 CB ALA A 630 -7.186 10.139 6.467 1.00 72.04 C ATOM 0 H ALA A 630 -6.597 12.466 7.148 1.00 31.02 H new ATOM 0 HA ALA A 630 -8.419 11.343 5.232 1.00 22.32 H new ATOM 0 HB1 ALA A 630 -7.699 9.214 6.203 1.00 72.04 H new ATOM 0 HB2 ALA A 630 -6.315 10.267 5.824 1.00 72.04 H new ATOM 0 HB3 ALA A 630 -6.865 10.092 7.508 1.00 72.04 H new ATOM 740 N SER A 631 -9.267 11.728 8.256 1.00 73.42 N ATOM 741 CA SER A 631 -10.298 11.684 9.216 1.00 22.13 C ATOM 742 C SER A 631 -11.436 12.608 8.791 1.00 25.22 C ATOM 743 O SER A 631 -12.588 12.180 8.686 1.00 11.22 O ATOM 744 CB SER A 631 -9.695 12.106 10.543 1.00 15.20 C ATOM 745 OG SER A 631 -8.535 11.328 10.778 1.00 72.13 O ATOM 0 H SER A 631 -8.460 12.281 8.545 1.00 73.42 H new ATOM 0 HA SER A 631 -10.718 10.682 9.309 1.00 22.13 H new ATOM 0 HB2 SER A 631 -9.442 13.166 10.524 1.00 15.20 H new ATOM 0 HB3 SER A 631 -10.416 11.964 11.348 1.00 15.20 H new ATOM 0 HG SER A 631 -7.903 11.840 11.324 1.00 72.13 H new ATOM 751 N LYS A 632 -11.098 13.854 8.495 1.00 64.22 N ATOM 752 CA LYS A 632 -12.090 14.847 8.123 1.00 41.22 C ATOM 753 C LYS A 632 -12.621 14.644 6.711 1.00 30.23 C ATOM 754 O LYS A 632 -13.830 14.578 6.502 1.00 65.22 O ATOM 755 CB LYS A 632 -11.497 16.251 8.233 1.00 13.21 C ATOM 756 CG LYS A 632 -11.018 16.616 9.618 1.00 3.20 C ATOM 757 CD LYS A 632 -10.431 18.012 9.647 1.00 11.21 C ATOM 758 CE LYS A 632 -9.953 18.372 11.036 1.00 62.12 C ATOM 759 NZ LYS A 632 -9.361 19.721 11.087 1.00 12.22 N ATOM 0 H LYS A 632 -10.139 14.201 8.506 1.00 64.22 H new ATOM 0 HA LYS A 632 -12.924 14.730 8.815 1.00 41.22 H new ATOM 0 HB2 LYS A 632 -10.661 16.335 7.538 1.00 13.21 H new ATOM 0 HB3 LYS A 632 -12.248 16.976 7.918 1.00 13.21 H new ATOM 0 HG2 LYS A 632 -11.849 16.554 10.321 1.00 3.20 H new ATOM 0 HG3 LYS A 632 -10.268 15.897 9.947 1.00 3.20 H new ATOM 0 HD2 LYS A 632 -9.600 18.075 8.945 1.00 11.21 H new ATOM 0 HD3 LYS A 632 -11.181 18.732 9.319 1.00 11.21 H new ATOM 0 HE2 LYS A 632 -10.790 18.317 11.732 1.00 62.12 H new ATOM 0 HE3 LYS A 632 -9.216 17.640 11.366 1.00 62.12 H new ATOM 0 HZ1 LYS A 632 -9.526 20.137 12.026 1.00 12.22 H new ATOM 0 HZ2 LYS A 632 -8.338 19.658 10.911 1.00 12.22 H new ATOM 0 HZ3 LYS A 632 -9.801 20.321 10.360 1.00 12.22 H new ATOM 773 N ASP A 633 -11.718 14.527 5.749 1.00 32.31 N ATOM 774 CA ASP A 633 -12.116 14.456 4.345 1.00 74.31 C ATOM 775 C ASP A 633 -12.586 13.076 3.965 1.00 74.30 C ATOM 776 O ASP A 633 -13.682 12.903 3.435 1.00 40.31 O ATOM 777 CB ASP A 633 -10.973 14.905 3.419 1.00 2.43 C ATOM 778 CG ASP A 633 -11.369 14.916 1.952 1.00 31.50 C ATOM 779 OD1 ASP A 633 -11.910 15.936 1.485 1.00 5.41 O ATOM 780 OD2 ASP A 633 -11.136 13.925 1.246 1.00 15.23 O ATOM 0 H ASP A 633 -10.712 14.479 5.909 1.00 32.31 H new ATOM 0 HA ASP A 633 -12.954 15.141 4.218 1.00 74.31 H new ATOM 0 HB2 ASP A 633 -10.648 15.904 3.710 1.00 2.43 H new ATOM 0 HB3 ASP A 633 -10.120 14.240 3.555 1.00 2.43 H new ATOM 785 N GLY A 634 -11.765 12.098 4.282 1.00 53.13 N ATOM 786 CA GLY A 634 -12.010 10.744 3.848 1.00 43.13 C ATOM 787 C GLY A 634 -13.043 9.991 4.647 1.00 72.22 C ATOM 788 O GLY A 634 -13.742 9.131 4.081 1.00 75.24 O ATOM 0 H GLY A 634 -10.920 12.218 4.841 1.00 53.13 H new ATOM 0 HA2 GLY A 634 -12.325 10.765 2.805 1.00 43.13 H new ATOM 0 HA3 GLY A 634 -11.071 10.192 3.886 1.00 43.13 H new ATOM 792 N ARG A 635 -13.149 10.292 5.971 1.00 25.54 N ATOM 793 CA ARG A 635 -14.076 9.566 6.880 1.00 62.23 C ATOM 794 C ARG A 635 -13.648 8.085 6.888 1.00 11.25 C ATOM 795 O ARG A 635 -14.487 7.189 7.002 1.00 4.50 O ATOM 796 CB ARG A 635 -15.532 9.650 6.342 1.00 14.23 C ATOM 797 CG ARG A 635 -16.148 11.046 6.161 1.00 32.35 C ATOM 798 CD ARG A 635 -16.608 11.720 7.462 1.00 73.14 C ATOM 799 NE ARG A 635 -15.538 12.112 8.391 1.00 75.35 N ATOM 800 CZ ARG A 635 -15.663 13.125 9.274 1.00 55.44 C ATOM 801 NH1 ARG A 635 -16.773 13.853 9.298 1.00 35.24 N ATOM 802 NH2 ARG A 635 -14.685 13.402 10.120 1.00 30.02 N ATOM 0 H ARG A 635 -12.608 11.026 6.428 1.00 25.54 H new ATOM 0 HA ARG A 635 -14.038 10.004 7.877 1.00 62.23 H new ATOM 0 HB2 ARG A 635 -15.563 9.142 5.378 1.00 14.23 H new ATOM 0 HB3 ARG A 635 -16.173 9.086 7.020 1.00 14.23 H new ATOM 0 HG2 ARG A 635 -15.416 11.690 5.673 1.00 32.35 H new ATOM 0 HG3 ARG A 635 -17.002 10.967 5.488 1.00 32.35 H new ATOM 0 HD2 ARG A 635 -17.184 12.609 7.205 1.00 73.14 H new ATOM 0 HD3 ARG A 635 -17.284 11.041 7.982 1.00 73.14 H new ATOM 0 HE ARG A 635 -14.660 11.594 8.367 1.00 75.35 H new ATOM 0 HH11 ARG A 635 -17.532 13.647 8.649 1.00 35.24 H new ATOM 0 HH12 ARG A 635 -16.867 14.618 9.966 1.00 35.24 H new ATOM 0 HH21 ARG A 635 -13.828 12.848 10.108 1.00 30.02 H new ATOM 0 HH22 ARG A 635 -14.787 14.169 10.784 1.00 30.02 H new ATOM 816 N LEU A 636 -12.319 7.856 6.794 1.00 11.25 N ATOM 817 CA LEU A 636 -11.758 6.512 6.609 1.00 61.42 C ATOM 818 C LEU A 636 -12.221 5.556 7.730 1.00 32.34 C ATOM 819 O LEU A 636 -12.094 5.840 8.914 1.00 64.23 O ATOM 820 CB LEU A 636 -10.218 6.584 6.435 1.00 73.12 C ATOM 821 CG LEU A 636 -9.543 5.464 5.613 1.00 73.52 C ATOM 822 CD1 LEU A 636 -8.105 5.828 5.343 1.00 34.42 C ATOM 823 CD2 LEU A 636 -9.601 4.113 6.311 1.00 75.23 C ATOM 0 H LEU A 636 -11.617 8.594 6.844 1.00 11.25 H new ATOM 0 HA LEU A 636 -12.146 6.084 5.685 1.00 61.42 H new ATOM 0 HB2 LEU A 636 -9.976 7.538 5.967 1.00 73.12 H new ATOM 0 HB3 LEU A 636 -9.767 6.592 7.427 1.00 73.12 H new ATOM 0 HG LEU A 636 -10.095 5.373 4.677 1.00 73.52 H new ATOM 0 HD11 LEU A 636 -7.632 5.036 4.763 1.00 34.42 H new ATOM 0 HD12 LEU A 636 -8.065 6.762 4.782 1.00 34.42 H new ATOM 0 HD13 LEU A 636 -7.577 5.950 6.289 1.00 34.42 H new ATOM 0 HD21 LEU A 636 -9.113 3.362 5.691 1.00 75.23 H new ATOM 0 HD22 LEU A 636 -9.091 4.178 7.272 1.00 75.23 H new ATOM 0 HD23 LEU A 636 -10.642 3.831 6.471 1.00 75.23 H new ATOM 835 N ARG A 637 -12.715 4.423 7.287 1.00 1.41 N ATOM 836 CA ARG A 637 -13.473 3.422 8.077 1.00 63.11 C ATOM 837 C ARG A 637 -12.830 2.863 9.368 1.00 61.13 C ATOM 838 O ARG A 637 -13.566 2.435 10.261 1.00 63.10 O ATOM 839 CB ARG A 637 -13.874 2.275 7.177 1.00 4.24 C ATOM 840 CG ARG A 637 -12.713 1.585 6.527 1.00 2.12 C ATOM 841 CD ARG A 637 -13.180 0.442 5.681 1.00 72.01 C ATOM 842 NE ARG A 637 -14.042 -0.444 6.443 1.00 11.24 N ATOM 843 CZ ARG A 637 -13.626 -1.478 7.184 1.00 60.10 C ATOM 844 NH1 ARG A 637 -12.368 -1.919 7.075 1.00 21.42 N ATOM 845 NH2 ARG A 637 -14.489 -2.105 7.974 1.00 11.14 N ATOM 0 H ARG A 637 -12.604 4.139 6.314 1.00 1.41 H new ATOM 0 HA ARG A 637 -14.322 3.993 8.453 1.00 63.11 H new ATOM 0 HB2 ARG A 637 -14.438 1.547 7.760 1.00 4.24 H new ATOM 0 HB3 ARG A 637 -14.543 2.649 6.402 1.00 4.24 H new ATOM 0 HG2 ARG A 637 -12.159 2.295 5.913 1.00 2.12 H new ATOM 0 HG3 ARG A 637 -12.026 1.221 7.291 1.00 2.12 H new ATOM 0 HD2 ARG A 637 -13.718 0.822 4.813 1.00 72.01 H new ATOM 0 HD3 ARG A 637 -12.321 -0.113 5.305 1.00 72.01 H new ATOM 0 HE ARG A 637 -15.045 -0.264 6.411 1.00 11.24 H new ATOM 0 HH11 ARG A 637 -11.724 -1.467 6.426 1.00 21.42 H new ATOM 0 HH12 ARG A 637 -12.053 -2.707 7.641 1.00 21.42 H new ATOM 0 HH21 ARG A 637 -15.461 -1.798 8.013 1.00 11.14 H new ATOM 0 HH22 ARG A 637 -14.180 -2.894 8.542 1.00 11.14 H new ATOM 859 N VAL A 638 -11.496 2.853 9.464 1.00 52.14 N ATOM 860 CA VAL A 638 -10.778 2.275 10.637 1.00 45.11 C ATOM 861 C VAL A 638 -10.772 0.712 10.613 1.00 44.41 C ATOM 862 O VAL A 638 -11.726 0.080 10.155 1.00 31.34 O ATOM 863 CB VAL A 638 -11.354 2.825 11.972 1.00 71.51 C ATOM 864 CG1 VAL A 638 -10.792 2.118 13.197 1.00 5.33 C ATOM 865 CG2 VAL A 638 -11.115 4.316 12.090 1.00 24.04 C ATOM 0 H VAL A 638 -10.878 3.236 8.749 1.00 52.14 H new ATOM 0 HA VAL A 638 -9.738 2.592 10.567 1.00 45.11 H new ATOM 0 HB VAL A 638 -12.425 2.627 11.943 1.00 71.51 H new ATOM 0 HG11 VAL A 638 -11.232 2.546 14.098 1.00 5.33 H new ATOM 0 HG12 VAL A 638 -11.031 1.056 13.146 1.00 5.33 H new ATOM 0 HG13 VAL A 638 -9.710 2.245 13.226 1.00 5.33 H new ATOM 0 HG21 VAL A 638 -11.527 4.677 13.032 1.00 24.04 H new ATOM 0 HG22 VAL A 638 -10.044 4.516 12.062 1.00 24.04 H new ATOM 0 HG23 VAL A 638 -11.602 4.829 11.261 1.00 24.04 H new ATOM 875 N ASN A 639 -9.654 0.125 11.099 1.00 40.45 N ATOM 876 CA ASN A 639 -9.375 -1.350 11.114 1.00 21.41 C ATOM 877 C ASN A 639 -9.366 -1.883 9.691 1.00 53.20 C ATOM 878 O ASN A 639 -9.602 -3.060 9.420 1.00 73.15 O ATOM 879 CB ASN A 639 -10.362 -2.145 11.993 1.00 14.13 C ATOM 880 CG ASN A 639 -9.847 -3.577 12.264 1.00 73.44 C ATOM 881 OD1 ASN A 639 -8.628 -3.810 12.353 1.00 63.00 O ATOM 882 ND2 ASN A 639 -10.736 -4.525 12.377 1.00 20.15 N ATOM 0 H ASN A 639 -8.893 0.670 11.505 1.00 40.45 H new ATOM 0 HA ASN A 639 -8.393 -1.489 11.565 1.00 21.41 H new ATOM 0 HB2 ASN A 639 -10.510 -1.625 12.939 1.00 14.13 H new ATOM 0 HB3 ASN A 639 -11.333 -2.193 11.501 1.00 14.13 H new ATOM 0 HD21 ASN A 639 -10.438 -5.486 12.543 1.00 20.15 H new ATOM 0 HD22 ASN A 639 -11.729 -4.305 12.300 1.00 20.15 H new ATOM 889 N ASP A 640 -9.058 -1.008 8.789 1.00 43.51 N ATOM 890 CA ASP A 640 -9.008 -1.345 7.416 1.00 11.23 C ATOM 891 C ASP A 640 -7.563 -1.665 7.051 1.00 31.42 C ATOM 892 O ASP A 640 -6.660 -1.197 7.735 1.00 63.04 O ATOM 893 CB ASP A 640 -9.478 -0.187 6.602 1.00 53.35 C ATOM 894 CG ASP A 640 -9.730 -0.637 5.230 1.00 25.34 C ATOM 895 OD1 ASP A 640 -8.824 -0.664 4.465 1.00 35.02 O ATOM 896 OD2 ASP A 640 -10.859 -1.022 4.953 1.00 33.24 O ATOM 0 H ASP A 640 -8.834 -0.034 8.993 1.00 43.51 H new ATOM 0 HA ASP A 640 -9.647 -2.206 7.218 1.00 11.23 H new ATOM 0 HB2 ASP A 640 -10.387 0.232 7.033 1.00 53.35 H new ATOM 0 HB3 ASP A 640 -8.729 0.605 6.607 1.00 53.35 H new ATOM 901 N GLN A 641 -7.338 -2.412 5.997 1.00 4.41 N ATOM 902 CA GLN A 641 -6.004 -2.831 5.629 1.00 41.53 C ATOM 903 C GLN A 641 -5.519 -1.967 4.448 1.00 31.01 C ATOM 904 O GLN A 641 -6.096 -1.986 3.372 1.00 14.13 O ATOM 905 CB GLN A 641 -6.033 -4.341 5.283 1.00 43.03 C ATOM 906 CG GLN A 641 -4.680 -5.087 5.288 1.00 21.44 C ATOM 907 CD GLN A 641 -3.701 -4.699 4.209 1.00 1.24 C ATOM 908 OE1 GLN A 641 -3.697 -5.273 3.132 1.00 11.31 O ATOM 909 NE2 GLN A 641 -2.856 -3.767 4.499 1.00 61.43 N ATOM 0 H GLN A 641 -8.071 -2.746 5.371 1.00 4.41 H new ATOM 0 HA GLN A 641 -5.302 -2.692 6.452 1.00 41.53 H new ATOM 0 HB2 GLN A 641 -6.697 -4.838 5.990 1.00 43.03 H new ATOM 0 HB3 GLN A 641 -6.479 -4.454 4.295 1.00 43.03 H new ATOM 0 HG2 GLN A 641 -4.204 -4.927 6.256 1.00 21.44 H new ATOM 0 HG3 GLN A 641 -4.878 -6.156 5.203 1.00 21.44 H new ATOM 0 HE21 GLN A 641 -2.892 -3.311 5.411 1.00 61.43 H new ATOM 0 HE22 GLN A 641 -2.152 -3.486 3.816 1.00 61.43 H new ATOM 918 N LEU A 642 -4.453 -1.227 4.682 1.00 4.13 N ATOM 919 CA LEU A 642 -3.891 -0.296 3.712 1.00 3.44 C ATOM 920 C LEU A 642 -3.191 -1.044 2.571 1.00 34.23 C ATOM 921 O LEU A 642 -2.128 -1.651 2.756 1.00 31.12 O ATOM 922 CB LEU A 642 -2.911 0.717 4.395 1.00 72.11 C ATOM 923 CG LEU A 642 -3.482 1.730 5.400 1.00 23.55 C ATOM 924 CD1 LEU A 642 -4.078 1.039 6.602 1.00 64.54 C ATOM 925 CD2 LEU A 642 -2.389 2.676 5.852 1.00 72.43 C ATOM 0 H LEU A 642 -3.942 -1.253 5.564 1.00 4.13 H new ATOM 0 HA LEU A 642 -4.718 0.274 3.288 1.00 3.44 H new ATOM 0 HB2 LEU A 642 -2.142 0.139 4.908 1.00 72.11 H new ATOM 0 HB3 LEU A 642 -2.413 1.279 3.605 1.00 72.11 H new ATOM 0 HG LEU A 642 -4.274 2.288 4.900 1.00 23.55 H new ATOM 0 HD11 LEU A 642 -4.472 1.785 7.292 1.00 64.54 H new ATOM 0 HD12 LEU A 642 -4.884 0.380 6.280 1.00 64.54 H new ATOM 0 HD13 LEU A 642 -3.308 0.452 7.103 1.00 64.54 H new ATOM 0 HD21 LEU A 642 -2.799 3.392 6.564 1.00 72.43 H new ATOM 0 HD22 LEU A 642 -1.590 2.108 6.328 1.00 72.43 H new ATOM 0 HD23 LEU A 642 -1.990 3.210 4.989 1.00 72.43 H new ATOM 937 N ILE A 643 -3.795 -0.986 1.406 1.00 74.23 N ATOM 938 CA ILE A 643 -3.324 -1.687 0.225 1.00 73.34 C ATOM 939 C ILE A 643 -2.299 -0.867 -0.543 1.00 45.12 C ATOM 940 O ILE A 643 -1.141 -1.251 -0.645 1.00 61.04 O ATOM 941 CB ILE A 643 -4.505 -2.005 -0.743 1.00 1.53 C ATOM 942 CG1 ILE A 643 -5.543 -2.900 -0.077 1.00 71.03 C ATOM 943 CG2 ILE A 643 -4.019 -2.621 -2.062 1.00 12.22 C ATOM 944 CD1 ILE A 643 -5.032 -4.269 0.330 1.00 15.50 C ATOM 0 H ILE A 643 -4.643 -0.442 1.246 1.00 74.23 H new ATOM 0 HA ILE A 643 -2.864 -2.610 0.577 1.00 73.34 H new ATOM 0 HB ILE A 643 -4.981 -1.054 -0.983 1.00 1.53 H new ATOM 0 HG12 ILE A 643 -5.926 -2.392 0.808 1.00 71.03 H new ATOM 0 HG13 ILE A 643 -6.383 -3.029 -0.759 1.00 71.03 H new ATOM 0 HG21 ILE A 643 -4.875 -2.826 -2.705 1.00 12.22 H new ATOM 0 HG22 ILE A 643 -3.347 -1.924 -2.563 1.00 12.22 H new ATOM 0 HG23 ILE A 643 -3.489 -3.551 -1.856 1.00 12.22 H new ATOM 0 HD11 ILE A 643 -5.839 -4.835 0.795 1.00 15.50 H new ATOM 0 HD12 ILE A 643 -4.677 -4.802 -0.552 1.00 15.50 H new ATOM 0 HD13 ILE A 643 -4.213 -4.155 1.040 1.00 15.50 H new ATOM 956 N ALA A 644 -2.729 0.254 -1.076 1.00 61.34 N ATOM 957 CA ALA A 644 -1.877 1.033 -1.945 1.00 31.24 C ATOM 958 C ALA A 644 -1.698 2.446 -1.464 1.00 20.11 C ATOM 959 O ALA A 644 -2.632 3.061 -0.961 1.00 22.51 O ATOM 960 CB ALA A 644 -2.384 1.002 -3.380 1.00 3.11 C ATOM 0 H ALA A 644 -3.659 0.645 -0.924 1.00 61.34 H new ATOM 0 HA ALA A 644 -0.892 0.567 -1.919 1.00 31.24 H new ATOM 0 HB1 ALA A 644 -1.724 1.596 -4.012 1.00 3.11 H new ATOM 0 HB2 ALA A 644 -2.399 -0.027 -3.738 1.00 3.11 H new ATOM 0 HB3 ALA A 644 -3.392 1.415 -3.419 1.00 3.11 H new ATOM 966 N VAL A 645 -0.498 2.956 -1.639 1.00 1.15 N ATOM 967 CA VAL A 645 -0.138 4.280 -1.192 1.00 2.22 C ATOM 968 C VAL A 645 0.358 5.084 -2.369 1.00 10.20 C ATOM 969 O VAL A 645 1.350 4.717 -3.012 1.00 43.13 O ATOM 970 CB VAL A 645 0.983 4.200 -0.167 1.00 52.42 C ATOM 971 CG1 VAL A 645 1.367 5.570 0.359 1.00 53.34 C ATOM 972 CG2 VAL A 645 0.638 3.243 0.943 1.00 1.54 C ATOM 0 H VAL A 645 0.262 2.456 -2.101 1.00 1.15 H new ATOM 0 HA VAL A 645 -1.014 4.750 -0.746 1.00 2.22 H new ATOM 0 HB VAL A 645 1.863 3.805 -0.673 1.00 52.42 H new ATOM 0 HG11 VAL A 645 2.171 5.468 1.088 1.00 53.34 H new ATOM 0 HG12 VAL A 645 1.704 6.196 -0.467 1.00 53.34 H new ATOM 0 HG13 VAL A 645 0.502 6.033 0.835 1.00 53.34 H new ATOM 0 HG21 VAL A 645 1.458 3.207 1.660 1.00 1.54 H new ATOM 0 HG22 VAL A 645 -0.269 3.580 1.445 1.00 1.54 H new ATOM 0 HG23 VAL A 645 0.475 2.248 0.528 1.00 1.54 H new ATOM 982 N ASN A 646 -0.324 6.176 -2.652 1.00 11.22 N ATOM 983 CA ASN A 646 -0.024 7.045 -3.796 1.00 23.42 C ATOM 984 C ASN A 646 0.034 6.274 -5.111 1.00 12.21 C ATOM 985 O ASN A 646 0.600 6.729 -6.106 1.00 2.34 O ATOM 986 CB ASN A 646 1.214 7.915 -3.513 1.00 52.21 C ATOM 987 CG ASN A 646 0.846 9.013 -2.526 1.00 60.11 C ATOM 988 OD1 ASN A 646 -0.268 9.493 -2.548 1.00 4.41 O ATOM 989 ND2 ASN A 646 1.733 9.385 -1.637 1.00 73.50 N ATOM 0 H ASN A 646 -1.114 6.498 -2.093 1.00 11.22 H new ATOM 0 HA ASN A 646 -0.855 7.738 -3.928 1.00 23.42 H new ATOM 0 HB2 ASN A 646 2.018 7.301 -3.108 1.00 52.21 H new ATOM 0 HB3 ASN A 646 1.584 8.353 -4.440 1.00 52.21 H new ATOM 0 HD21 ASN A 646 1.493 10.093 -0.943 1.00 73.50 H new ATOM 0 HD22 ASN A 646 2.663 8.967 -1.639 1.00 73.50 H new ATOM 996 N GLY A 647 -0.660 5.141 -5.126 1.00 55.43 N ATOM 997 CA GLY A 647 -0.685 4.283 -6.281 1.00 21.34 C ATOM 998 C GLY A 647 -0.080 2.900 -6.041 1.00 51.30 C ATOM 999 O GLY A 647 -0.566 1.916 -6.597 1.00 2.31 O ATOM 0 H GLY A 647 -1.214 4.803 -4.339 1.00 55.43 H new ATOM 0 HA2 GLY A 647 -1.717 4.165 -6.611 1.00 21.34 H new ATOM 0 HA3 GLY A 647 -0.145 4.769 -7.094 1.00 21.34 H new ATOM 1003 N GLU A 648 0.948 2.809 -5.196 1.00 11.32 N ATOM 1004 CA GLU A 648 1.660 1.535 -5.023 1.00 24.23 C ATOM 1005 C GLU A 648 1.124 0.654 -3.943 1.00 44.21 C ATOM 1006 O GLU A 648 0.927 1.072 -2.820 1.00 3.13 O ATOM 1007 CB GLU A 648 3.142 1.712 -4.842 1.00 63.44 C ATOM 1008 CG GLU A 648 3.580 2.557 -3.704 1.00 33.31 C ATOM 1009 CD GLU A 648 5.074 2.783 -3.761 1.00 44.32 C ATOM 1010 OE1 GLU A 648 5.839 1.922 -3.284 1.00 4.15 O ATOM 1011 OE2 GLU A 648 5.504 3.800 -4.341 1.00 32.31 O ATOM 0 H GLU A 648 1.303 3.581 -4.631 1.00 11.32 H new ATOM 0 HA GLU A 648 1.475 1.022 -5.967 1.00 24.23 H new ATOM 0 HB2 GLU A 648 3.590 0.725 -4.725 1.00 63.44 H new ATOM 0 HB3 GLU A 648 3.548 2.140 -5.759 1.00 63.44 H new ATOM 0 HG2 GLU A 648 3.059 3.514 -3.732 1.00 33.31 H new ATOM 0 HG3 GLU A 648 3.314 2.077 -2.762 1.00 33.31 H new ATOM 1018 N SER A 649 0.940 -0.568 -4.296 1.00 12.24 N ATOM 1019 CA SER A 649 0.433 -1.580 -3.404 1.00 3.02 C ATOM 1020 C SER A 649 1.570 -2.120 -2.514 1.00 2.01 C ATOM 1021 O SER A 649 2.686 -2.344 -2.989 1.00 23.15 O ATOM 1022 CB SER A 649 -0.190 -2.699 -4.231 1.00 63.12 C ATOM 1023 OG SER A 649 -1.181 -2.180 -5.117 1.00 43.10 O ATOM 0 H SER A 649 1.139 -0.913 -5.235 1.00 12.24 H new ATOM 0 HA SER A 649 -0.328 -1.153 -2.751 1.00 3.02 H new ATOM 0 HB2 SER A 649 0.585 -3.210 -4.803 1.00 63.12 H new ATOM 0 HB3 SER A 649 -0.639 -3.440 -3.570 1.00 63.12 H new ATOM 0 HG SER A 649 -1.568 -2.913 -5.640 1.00 43.10 H new ATOM 1029 N LEU A 650 1.287 -2.313 -1.242 1.00 2.12 N ATOM 1030 CA LEU A 650 2.283 -2.760 -0.260 1.00 71.31 C ATOM 1031 C LEU A 650 2.154 -4.266 0.023 1.00 61.42 C ATOM 1032 O LEU A 650 2.712 -4.773 0.988 1.00 64.42 O ATOM 1033 CB LEU A 650 2.073 -1.988 1.048 1.00 52.25 C ATOM 1034 CG LEU A 650 2.135 -0.455 0.962 1.00 63.01 C ATOM 1035 CD1 LEU A 650 1.852 0.165 2.318 1.00 0.10 C ATOM 1036 CD2 LEU A 650 3.489 0.006 0.446 1.00 14.53 C ATOM 0 H LEU A 650 0.358 -2.166 -0.847 1.00 2.12 H new ATOM 0 HA LEU A 650 3.276 -2.571 -0.667 1.00 71.31 H new ATOM 0 HB2 LEU A 650 1.101 -2.267 1.455 1.00 52.25 H new ATOM 0 HB3 LEU A 650 2.826 -2.319 1.763 1.00 52.25 H new ATOM 0 HG LEU A 650 1.370 -0.125 0.259 1.00 63.01 H new ATOM 0 HD11 LEU A 650 1.900 1.251 2.239 1.00 0.10 H new ATOM 0 HD12 LEU A 650 0.858 -0.131 2.653 1.00 0.10 H new ATOM 0 HD13 LEU A 650 2.595 -0.179 3.038 1.00 0.10 H new ATOM 0 HD21 LEU A 650 3.507 1.095 0.394 1.00 14.53 H new ATOM 0 HD22 LEU A 650 4.272 -0.338 1.121 1.00 14.53 H new ATOM 0 HD23 LEU A 650 3.659 -0.407 -0.548 1.00 14.53 H new ATOM 1048 N LEU A 651 1.473 -4.975 -0.849 1.00 33.21 N ATOM 1049 CA LEU A 651 1.169 -6.398 -0.634 1.00 60.02 C ATOM 1050 C LEU A 651 2.310 -7.315 -1.065 1.00 73.34 C ATOM 1051 O LEU A 651 2.233 -8.534 -0.915 1.00 74.22 O ATOM 1052 CB LEU A 651 -0.160 -6.811 -1.327 1.00 0.31 C ATOM 1053 CG LEU A 651 -1.459 -6.193 -0.784 1.00 72.31 C ATOM 1054 CD1 LEU A 651 -1.623 -6.457 0.694 1.00 64.54 C ATOM 1055 CD2 LEU A 651 -1.550 -4.723 -1.082 1.00 51.11 C ATOM 0 H LEU A 651 1.111 -4.598 -1.725 1.00 33.21 H new ATOM 0 HA LEU A 651 1.046 -6.522 0.442 1.00 60.02 H new ATOM 0 HB2 LEU A 651 -0.082 -6.558 -2.384 1.00 0.31 H new ATOM 0 HB3 LEU A 651 -0.250 -7.895 -1.265 1.00 0.31 H new ATOM 0 HG LEU A 651 -2.282 -6.682 -1.304 1.00 72.31 H new ATOM 0 HD11 LEU A 651 -2.552 -6.006 1.043 1.00 64.54 H new ATOM 0 HD12 LEU A 651 -1.653 -7.532 0.870 1.00 64.54 H new ATOM 0 HD13 LEU A 651 -0.783 -6.024 1.236 1.00 64.54 H new ATOM 0 HD21 LEU A 651 -2.483 -4.327 -0.681 1.00 51.11 H new ATOM 0 HD22 LEU A 651 -0.709 -4.206 -0.621 1.00 51.11 H new ATOM 0 HD23 LEU A 651 -1.525 -4.568 -2.161 1.00 51.11 H new ATOM 1067 N GLY A 652 3.362 -6.735 -1.583 1.00 13.02 N ATOM 1068 CA GLY A 652 4.504 -7.516 -2.007 1.00 14.45 C ATOM 1069 C GLY A 652 5.660 -7.372 -1.052 1.00 70.44 C ATOM 1070 O GLY A 652 6.798 -7.688 -1.385 1.00 64.01 O ATOM 0 H GLY A 652 3.455 -5.729 -1.723 1.00 13.02 H new ATOM 0 HA2 GLY A 652 4.220 -8.566 -2.080 1.00 14.45 H new ATOM 0 HA3 GLY A 652 4.813 -7.199 -3.003 1.00 14.45 H new ATOM 1074 N LYS A 653 5.365 -6.882 0.129 1.00 1.11 N ATOM 1075 CA LYS A 653 6.353 -6.684 1.163 1.00 4.10 C ATOM 1076 C LYS A 653 5.702 -6.815 2.528 1.00 41.13 C ATOM 1077 O LYS A 653 4.478 -6.687 2.643 1.00 0.34 O ATOM 1078 CB LYS A 653 7.039 -5.318 1.011 1.00 24.40 C ATOM 1079 CG LYS A 653 6.079 -4.127 0.949 1.00 42.33 C ATOM 1080 CD LYS A 653 6.822 -2.789 0.905 1.00 53.42 C ATOM 1081 CE LYS A 653 7.811 -2.695 -0.253 1.00 24.03 C ATOM 1082 NZ LYS A 653 7.162 -2.818 -1.571 1.00 4.32 N ATOM 0 H LYS A 653 4.422 -6.607 0.402 1.00 1.11 H new ATOM 0 HA LYS A 653 7.121 -7.451 1.066 1.00 4.10 H new ATOM 0 HB2 LYS A 653 7.722 -5.174 1.848 1.00 24.40 H new ATOM 0 HB3 LYS A 653 7.643 -5.328 0.104 1.00 24.40 H new ATOM 0 HG2 LYS A 653 5.445 -4.218 0.067 1.00 42.33 H new ATOM 0 HG3 LYS A 653 5.421 -4.147 1.818 1.00 42.33 H new ATOM 0 HD2 LYS A 653 6.097 -1.979 0.823 1.00 53.42 H new ATOM 0 HD3 LYS A 653 7.356 -2.645 1.844 1.00 53.42 H new ATOM 0 HE2 LYS A 653 8.336 -1.741 -0.200 1.00 24.03 H new ATOM 0 HE3 LYS A 653 8.561 -3.479 -0.148 1.00 24.03 H new ATOM 0 HZ1 LYS A 653 7.880 -2.747 -2.320 1.00 4.32 H new ATOM 0 HZ2 LYS A 653 6.683 -3.739 -1.637 1.00 4.32 H new ATOM 0 HZ3 LYS A 653 6.465 -2.055 -1.687 1.00 4.32 H new ATOM 1096 N ALA A 654 6.500 -7.084 3.546 1.00 51.30 N ATOM 1097 CA ALA A 654 5.992 -7.265 4.901 1.00 61.41 C ATOM 1098 C ALA A 654 5.590 -5.934 5.515 1.00 74.14 C ATOM 1099 O ALA A 654 5.899 -4.878 4.963 1.00 40.44 O ATOM 1100 CB ALA A 654 7.023 -7.970 5.776 1.00 13.11 C ATOM 0 H ALA A 654 7.512 -7.183 3.462 1.00 51.30 H new ATOM 0 HA ALA A 654 5.103 -7.894 4.844 1.00 61.41 H new ATOM 0 HB1 ALA A 654 6.622 -8.094 6.782 1.00 13.11 H new ATOM 0 HB2 ALA A 654 7.251 -8.948 5.353 1.00 13.11 H new ATOM 0 HB3 ALA A 654 7.933 -7.372 5.819 1.00 13.11 H new ATOM 1106 N ASN A 655 4.936 -6.000 6.671 1.00 22.02 N ATOM 1107 CA ASN A 655 4.394 -4.819 7.377 1.00 42.12 C ATOM 1108 C ASN A 655 5.445 -3.738 7.577 1.00 53.34 C ATOM 1109 O ASN A 655 5.200 -2.562 7.305 1.00 51.43 O ATOM 1110 CB ASN A 655 3.878 -5.197 8.766 1.00 55.15 C ATOM 1111 CG ASN A 655 2.825 -6.265 8.805 1.00 30.45 C ATOM 1112 OD1 ASN A 655 2.048 -6.432 7.889 1.00 62.31 O ATOM 1113 ND2 ASN A 655 2.800 -7.000 9.885 1.00 54.50 N ATOM 0 H ASN A 655 4.760 -6.879 7.158 1.00 22.02 H new ATOM 0 HA ASN A 655 3.587 -4.444 6.747 1.00 42.12 H new ATOM 0 HB2 ASN A 655 4.724 -5.526 9.370 1.00 55.15 H new ATOM 0 HB3 ASN A 655 3.477 -4.301 9.240 1.00 55.15 H new ATOM 0 HD21 ASN A 655 2.110 -7.745 9.979 1.00 54.50 H new ATOM 0 HD22 ASN A 655 3.471 -6.829 10.634 1.00 54.50 H new ATOM 1120 N GLN A 656 6.614 -4.136 8.051 1.00 50.21 N ATOM 1121 CA GLN A 656 7.683 -3.196 8.318 1.00 40.13 C ATOM 1122 C GLN A 656 8.140 -2.524 7.043 1.00 5.21 C ATOM 1123 O GLN A 656 8.270 -1.302 6.990 1.00 3.15 O ATOM 1124 CB GLN A 656 8.855 -3.880 9.003 1.00 62.25 C ATOM 1125 CG GLN A 656 9.988 -2.927 9.313 1.00 31.04 C ATOM 1126 CD GLN A 656 11.176 -3.591 9.992 1.00 53.04 C ATOM 1127 OE1 GLN A 656 11.893 -2.960 10.761 1.00 53.52 O ATOM 1128 NE2 GLN A 656 11.409 -4.849 9.705 1.00 32.21 N ATOM 0 H GLN A 656 6.844 -5.108 8.258 1.00 50.21 H new ATOM 0 HA GLN A 656 7.292 -2.433 8.991 1.00 40.13 H new ATOM 0 HB2 GLN A 656 8.511 -4.341 9.928 1.00 62.25 H new ATOM 0 HB3 GLN A 656 9.225 -4.683 8.365 1.00 62.25 H new ATOM 0 HG2 GLN A 656 10.324 -2.462 8.386 1.00 31.04 H new ATOM 0 HG3 GLN A 656 9.614 -2.128 9.954 1.00 31.04 H new ATOM 0 HE21 GLN A 656 10.794 -5.348 9.061 1.00 32.21 H new ATOM 0 HE22 GLN A 656 12.205 -5.329 10.125 1.00 32.21 H new ATOM 1137 N GLU A 657 8.348 -3.326 6.011 1.00 60.03 N ATOM 1138 CA GLU A 657 8.773 -2.828 4.712 1.00 1.22 C ATOM 1139 C GLU A 657 7.720 -1.882 4.170 1.00 62.33 C ATOM 1140 O GLU A 657 8.028 -0.842 3.574 1.00 54.24 O ATOM 1141 CB GLU A 657 8.967 -3.986 3.735 1.00 72.13 C ATOM 1142 CG GLU A 657 9.991 -5.011 4.165 1.00 22.54 C ATOM 1143 CD GLU A 657 11.337 -4.400 4.456 1.00 45.22 C ATOM 1144 OE1 GLU A 657 12.052 -4.012 3.504 1.00 11.21 O ATOM 1145 OE2 GLU A 657 11.715 -4.317 5.646 1.00 40.24 O ATOM 0 H GLU A 657 8.227 -4.338 6.050 1.00 60.03 H new ATOM 0 HA GLU A 657 9.721 -2.303 4.827 1.00 1.22 H new ATOM 0 HB2 GLU A 657 8.010 -4.487 3.592 1.00 72.13 H new ATOM 0 HB3 GLU A 657 9.263 -3.581 2.767 1.00 72.13 H new ATOM 0 HG2 GLU A 657 9.631 -5.528 5.055 1.00 22.54 H new ATOM 0 HG3 GLU A 657 10.099 -5.762 3.382 1.00 22.54 H new ATOM 1152 N ALA A 658 6.472 -2.255 4.393 1.00 12.14 N ATOM 1153 CA ALA A 658 5.332 -1.469 4.003 1.00 73.41 C ATOM 1154 C ALA A 658 5.385 -0.114 4.681 1.00 70.32 C ATOM 1155 O ALA A 658 5.236 0.894 4.031 1.00 44.03 O ATOM 1156 CB ALA A 658 4.049 -2.199 4.351 1.00 13.43 C ATOM 0 H ALA A 658 6.226 -3.129 4.859 1.00 12.14 H new ATOM 0 HA ALA A 658 5.353 -1.316 2.924 1.00 73.41 H new ATOM 0 HB1 ALA A 658 3.193 -1.594 4.051 1.00 13.43 H new ATOM 0 HB2 ALA A 658 4.020 -3.154 3.826 1.00 13.43 H new ATOM 0 HB3 ALA A 658 4.010 -2.374 5.426 1.00 13.43 H new ATOM 1162 N MET A 659 5.634 -0.111 5.989 1.00 40.02 N ATOM 1163 CA MET A 659 5.766 1.134 6.756 1.00 22.53 C ATOM 1164 C MET A 659 6.894 1.998 6.246 1.00 31.24 C ATOM 1165 O MET A 659 6.736 3.210 6.115 1.00 55.01 O ATOM 1166 CB MET A 659 5.989 0.869 8.233 1.00 62.31 C ATOM 1167 CG MET A 659 4.799 0.303 8.966 1.00 14.45 C ATOM 1168 SD MET A 659 5.145 0.039 10.710 1.00 31.03 S ATOM 1169 CE MET A 659 3.512 -0.359 11.309 1.00 4.51 C ATOM 0 H MET A 659 5.749 -0.958 6.545 1.00 40.02 H new ATOM 0 HA MET A 659 4.822 1.663 6.623 1.00 22.53 H new ATOM 0 HB2 MET A 659 6.825 0.178 8.341 1.00 62.31 H new ATOM 0 HB3 MET A 659 6.283 1.802 8.714 1.00 62.31 H new ATOM 0 HG2 MET A 659 3.953 0.983 8.863 1.00 14.45 H new ATOM 0 HG3 MET A 659 4.507 -0.642 8.507 1.00 14.45 H new ATOM 0 HE1 MET A 659 3.510 -0.342 12.399 1.00 4.51 H new ATOM 0 HE2 MET A 659 2.798 0.374 10.933 1.00 4.51 H new ATOM 0 HE3 MET A 659 3.229 -1.353 10.961 1.00 4.51 H new ATOM 1179 N GLU A 660 8.028 1.377 5.962 1.00 31.00 N ATOM 1180 CA GLU A 660 9.188 2.099 5.452 1.00 55.12 C ATOM 1181 C GLU A 660 8.862 2.755 4.122 1.00 21.21 C ATOM 1182 O GLU A 660 9.216 3.918 3.879 1.00 22.01 O ATOM 1183 CB GLU A 660 10.394 1.173 5.301 1.00 12.53 C ATOM 1184 CG GLU A 660 10.855 0.538 6.599 1.00 23.32 C ATOM 1185 CD GLU A 660 11.168 1.558 7.661 1.00 4.34 C ATOM 1186 OE1 GLU A 660 12.181 2.274 7.531 1.00 24.25 O ATOM 1187 OE2 GLU A 660 10.399 1.674 8.630 1.00 61.32 O ATOM 0 H GLU A 660 8.172 0.374 6.075 1.00 31.00 H new ATOM 0 HA GLU A 660 9.444 2.873 6.175 1.00 55.12 H new ATOM 0 HB2 GLU A 660 10.146 0.384 4.591 1.00 12.53 H new ATOM 0 HB3 GLU A 660 11.221 1.739 4.872 1.00 12.53 H new ATOM 0 HG2 GLU A 660 10.081 -0.136 6.965 1.00 23.32 H new ATOM 0 HG3 GLU A 660 11.741 -0.067 6.409 1.00 23.32 H new ATOM 1194 N THR A 661 8.157 2.028 3.282 1.00 22.41 N ATOM 1195 CA THR A 661 7.768 2.533 1.995 1.00 31.31 C ATOM 1196 C THR A 661 6.696 3.619 2.178 1.00 43.40 C ATOM 1197 O THR A 661 6.757 4.684 1.564 1.00 74.54 O ATOM 1198 CB THR A 661 7.228 1.385 1.119 1.00 75.21 C ATOM 1199 OG1 THR A 661 8.217 0.334 1.051 1.00 12.43 O ATOM 1200 CG2 THR A 661 6.933 1.875 -0.280 1.00 31.24 C ATOM 0 H THR A 661 7.842 1.077 3.476 1.00 22.41 H new ATOM 0 HA THR A 661 8.634 2.968 1.497 1.00 31.31 H new ATOM 0 HB THR A 661 6.306 1.010 1.563 1.00 75.21 H new ATOM 0 HG1 THR A 661 8.237 -0.152 1.902 1.00 12.43 H new ATOM 0 HG21 THR A 661 6.553 1.050 -0.882 1.00 31.24 H new ATOM 0 HG22 THR A 661 6.186 2.668 -0.238 1.00 31.24 H new ATOM 0 HG23 THR A 661 7.847 2.262 -0.730 1.00 31.24 H new ATOM 1208 N LEU A 662 5.756 3.341 3.065 1.00 12.13 N ATOM 1209 CA LEU A 662 4.668 4.239 3.410 1.00 45.13 C ATOM 1210 C LEU A 662 5.187 5.591 3.854 1.00 11.31 C ATOM 1211 O LEU A 662 4.804 6.601 3.280 1.00 21.12 O ATOM 1212 CB LEU A 662 3.781 3.581 4.489 1.00 4.32 C ATOM 1213 CG LEU A 662 2.663 4.413 5.131 1.00 71.30 C ATOM 1214 CD1 LEU A 662 1.693 4.946 4.091 1.00 73.32 C ATOM 1215 CD2 LEU A 662 1.922 3.565 6.154 1.00 0.32 C ATOM 0 H LEU A 662 5.728 2.460 3.579 1.00 12.13 H new ATOM 0 HA LEU A 662 4.060 4.418 2.523 1.00 45.13 H new ATOM 0 HB2 LEU A 662 3.322 2.697 4.046 1.00 4.32 H new ATOM 0 HB3 LEU A 662 4.436 3.234 5.288 1.00 4.32 H new ATOM 0 HG LEU A 662 3.118 5.271 5.625 1.00 71.30 H new ATOM 0 HD11 LEU A 662 0.916 5.530 4.584 1.00 73.32 H new ATOM 0 HD12 LEU A 662 2.229 5.579 3.384 1.00 73.32 H new ATOM 0 HD13 LEU A 662 1.237 4.112 3.558 1.00 73.32 H new ATOM 0 HD21 LEU A 662 1.128 4.156 6.610 1.00 0.32 H new ATOM 0 HD22 LEU A 662 1.489 2.695 5.660 1.00 0.32 H new ATOM 0 HD23 LEU A 662 2.618 3.235 6.926 1.00 0.32 H new ATOM 1227 N ARG A 663 6.083 5.608 4.843 1.00 13.13 N ATOM 1228 CA ARG A 663 6.644 6.872 5.350 1.00 41.34 C ATOM 1229 C ARG A 663 7.309 7.688 4.237 1.00 10.42 C ATOM 1230 O ARG A 663 7.235 8.920 4.224 1.00 22.14 O ATOM 1231 CB ARG A 663 7.654 6.648 6.475 1.00 3.10 C ATOM 1232 CG ARG A 663 7.083 6.061 7.750 1.00 50.14 C ATOM 1233 CD ARG A 663 8.153 5.994 8.831 1.00 64.41 C ATOM 1234 NE ARG A 663 8.691 7.331 9.140 1.00 54.13 N ATOM 1235 CZ ARG A 663 9.609 7.615 10.084 1.00 41.14 C ATOM 1236 NH1 ARG A 663 10.106 6.661 10.864 1.00 4.03 N ATOM 1237 NH2 ARG A 663 10.025 8.863 10.233 1.00 72.52 N ATOM 0 H ARG A 663 6.436 4.772 5.308 1.00 13.13 H new ATOM 0 HA ARG A 663 5.797 7.432 5.747 1.00 41.34 H new ATOM 0 HB2 ARG A 663 8.439 5.986 6.110 1.00 3.10 H new ATOM 0 HB3 ARG A 663 8.126 7.601 6.713 1.00 3.10 H new ATOM 0 HG2 ARG A 663 6.247 6.669 8.095 1.00 50.14 H new ATOM 0 HG3 ARG A 663 6.692 5.063 7.555 1.00 50.14 H new ATOM 0 HD2 ARG A 663 7.732 5.552 9.734 1.00 64.41 H new ATOM 0 HD3 ARG A 663 8.962 5.341 8.504 1.00 64.41 H new ATOM 0 HE ARG A 663 8.336 8.112 8.589 1.00 54.13 H new ATOM 0 HH11 ARG A 663 9.793 5.697 10.753 1.00 4.03 H new ATOM 0 HH12 ARG A 663 10.801 6.893 11.574 1.00 4.03 H new ATOM 0 HH21 ARG A 663 9.651 9.600 9.636 1.00 72.52 H new ATOM 0 HH22 ARG A 663 10.720 9.087 10.945 1.00 72.52 H new ATOM 1251 N ARG A 664 7.938 7.004 3.310 1.00 72.52 N ATOM 1252 CA ARG A 664 8.619 7.658 2.217 1.00 43.04 C ATOM 1253 C ARG A 664 7.631 8.155 1.184 1.00 24.32 C ATOM 1254 O ARG A 664 7.648 9.305 0.826 1.00 70.54 O ATOM 1255 CB ARG A 664 9.666 6.726 1.603 1.00 71.42 C ATOM 1256 CG ARG A 664 10.491 7.339 0.485 1.00 31.14 C ATOM 1257 CD ARG A 664 11.559 6.361 0.009 1.00 13.11 C ATOM 1258 NE ARG A 664 12.501 6.017 1.094 1.00 73.30 N ATOM 1259 CZ ARG A 664 13.118 4.828 1.241 1.00 13.20 C ATOM 1260 NH1 ARG A 664 12.925 3.854 0.358 1.00 41.12 N ATOM 1261 NH2 ARG A 664 13.930 4.625 2.274 1.00 31.53 N ATOM 0 H ARG A 664 7.992 5.986 3.292 1.00 72.52 H new ATOM 0 HA ARG A 664 9.143 8.531 2.606 1.00 43.04 H new ATOM 0 HB2 ARG A 664 10.341 6.392 2.391 1.00 71.42 H new ATOM 0 HB3 ARG A 664 9.161 5.840 1.218 1.00 71.42 H new ATOM 0 HG2 ARG A 664 9.841 7.610 -0.347 1.00 31.14 H new ATOM 0 HG3 ARG A 664 10.961 8.258 0.835 1.00 31.14 H new ATOM 0 HD2 ARG A 664 11.083 5.453 -0.362 1.00 13.11 H new ATOM 0 HD3 ARG A 664 12.108 6.798 -0.826 1.00 13.11 H new ATOM 0 HE ARG A 664 12.700 6.738 1.788 1.00 73.30 H new ATOM 0 HH11 ARG A 664 12.306 4.003 -0.439 1.00 41.12 H new ATOM 0 HH12 ARG A 664 13.396 2.957 0.477 1.00 41.12 H new ATOM 0 HH21 ARG A 664 14.085 5.369 2.954 1.00 31.53 H new ATOM 0 HH22 ARG A 664 14.397 3.725 2.386 1.00 31.53 H new ATOM 1275 N SER A 665 6.745 7.311 0.756 1.00 71.20 N ATOM 1276 CA SER A 665 5.803 7.676 -0.267 1.00 41.04 C ATOM 1277 C SER A 665 4.777 8.677 0.206 1.00 64.23 C ATOM 1278 O SER A 665 4.288 9.465 -0.581 1.00 41.53 O ATOM 1279 CB SER A 665 5.155 6.449 -0.880 1.00 50.21 C ATOM 1280 OG SER A 665 6.129 5.694 -1.552 1.00 4.20 O ATOM 0 H SER A 665 6.650 6.355 1.100 1.00 71.20 H new ATOM 0 HA SER A 665 6.372 8.179 -1.049 1.00 41.04 H new ATOM 0 HB2 SER A 665 4.684 5.847 -0.103 1.00 50.21 H new ATOM 0 HB3 SER A 665 4.368 6.747 -1.573 1.00 50.21 H new ATOM 0 HG SER A 665 6.566 6.252 -2.229 1.00 4.20 H new ATOM 1286 N MET A 666 4.465 8.672 1.479 1.00 14.24 N ATOM 1287 CA MET A 666 3.498 9.624 1.994 1.00 30.44 C ATOM 1288 C MET A 666 4.101 11.015 2.036 1.00 1.51 C ATOM 1289 O MET A 666 3.404 12.000 1.876 1.00 60.42 O ATOM 1290 CB MET A 666 2.971 9.238 3.383 1.00 43.44 C ATOM 1291 CG MET A 666 4.000 9.276 4.505 1.00 54.13 C ATOM 1292 SD MET A 666 3.305 8.858 6.087 1.00 70.33 S ATOM 1293 CE MET A 666 2.018 10.094 6.172 1.00 1.23 C ATOM 0 H MET A 666 4.856 8.033 2.171 1.00 14.24 H new ATOM 0 HA MET A 666 2.648 9.612 1.312 1.00 30.44 H new ATOM 0 HB2 MET A 666 2.152 9.909 3.641 1.00 43.44 H new ATOM 0 HB3 MET A 666 2.555 8.232 3.329 1.00 43.44 H new ATOM 0 HG2 MET A 666 4.809 8.584 4.274 1.00 54.13 H new ATOM 0 HG3 MET A 666 4.438 10.273 4.557 1.00 54.13 H new ATOM 0 HE1 MET A 666 1.673 10.190 7.202 1.00 1.23 H new ATOM 0 HE2 MET A 666 2.410 11.052 5.830 1.00 1.23 H new ATOM 0 HE3 MET A 666 1.184 9.795 5.537 1.00 1.23 H new ATOM 1303 N SER A 667 5.394 11.077 2.225 1.00 54.24 N ATOM 1304 CA SER A 667 6.069 12.330 2.306 1.00 4.15 C ATOM 1305 C SER A 667 6.590 12.760 0.930 1.00 2.41 C ATOM 1306 O SER A 667 6.341 13.877 0.485 1.00 43.12 O ATOM 1307 CB SER A 667 7.206 12.241 3.325 1.00 1.33 C ATOM 1308 OG SER A 667 7.852 13.490 3.503 1.00 33.31 O ATOM 0 H SER A 667 5.998 10.261 2.326 1.00 54.24 H new ATOM 0 HA SER A 667 5.363 13.090 2.640 1.00 4.15 H new ATOM 0 HB2 SER A 667 6.811 11.896 4.281 1.00 1.33 H new ATOM 0 HB3 SER A 667 7.933 11.499 2.994 1.00 1.33 H new ATOM 0 HG SER A 667 8.571 13.395 4.162 1.00 33.31 H new ATOM 1314 N THR A 668 7.291 11.870 0.258 1.00 4.11 N ATOM 1315 CA THR A 668 7.907 12.193 -1.005 1.00 21.12 C ATOM 1316 C THR A 668 6.860 12.309 -2.119 1.00 30.04 C ATOM 1317 O THR A 668 6.816 13.312 -2.846 1.00 25.13 O ATOM 1318 CB THR A 668 8.954 11.139 -1.355 1.00 5.33 C ATOM 1319 OG1 THR A 668 9.818 10.967 -0.216 1.00 74.41 O ATOM 1320 CG2 THR A 668 9.794 11.573 -2.543 1.00 21.55 C ATOM 0 H THR A 668 7.447 10.912 0.571 1.00 4.11 H new ATOM 0 HA THR A 668 8.397 13.162 -0.913 1.00 21.12 H new ATOM 0 HB THR A 668 8.447 10.209 -1.613 1.00 5.33 H new ATOM 0 HG1 THR A 668 9.378 10.391 0.444 1.00 74.41 H new ATOM 0 HG21 THR A 668 10.531 10.802 -2.769 1.00 21.55 H new ATOM 0 HG22 THR A 668 9.149 11.723 -3.409 1.00 21.55 H new ATOM 0 HG23 THR A 668 10.306 12.506 -2.305 1.00 21.55 H new ATOM 1328 N GLU A 669 6.006 11.312 -2.225 1.00 23.53 N ATOM 1329 CA GLU A 669 4.955 11.323 -3.245 1.00 4.31 C ATOM 1330 C GLU A 669 3.748 12.125 -2.787 1.00 11.53 C ATOM 1331 O GLU A 669 3.032 12.689 -3.605 1.00 61.54 O ATOM 1332 CB GLU A 669 4.508 9.902 -3.667 1.00 61.33 C ATOM 1333 CG GLU A 669 5.502 9.091 -4.505 1.00 72.32 C ATOM 1334 CD GLU A 669 6.812 8.802 -3.825 1.00 31.00 C ATOM 1335 OE1 GLU A 669 6.928 7.751 -3.145 1.00 23.10 O ATOM 1336 OE2 GLU A 669 7.749 9.599 -3.975 1.00 61.51 O ATOM 0 H GLU A 669 6.011 10.486 -1.627 1.00 23.53 H new ATOM 0 HA GLU A 669 5.395 11.802 -4.119 1.00 4.31 H new ATOM 0 HB2 GLU A 669 4.280 9.334 -2.765 1.00 61.33 H new ATOM 0 HB3 GLU A 669 3.579 9.990 -4.231 1.00 61.33 H new ATOM 0 HG2 GLU A 669 5.036 8.145 -4.781 1.00 72.32 H new ATOM 0 HG3 GLU A 669 5.701 9.631 -5.431 1.00 72.32 H new ATOM 1343 N GLY A 670 3.545 12.179 -1.477 1.00 64.03 N ATOM 1344 CA GLY A 670 2.397 12.866 -0.900 1.00 30.40 C ATOM 1345 C GLY A 670 2.308 14.322 -1.289 1.00 10.54 C ATOM 1346 O GLY A 670 1.343 14.741 -1.926 1.00 34.10 O ATOM 0 H GLY A 670 4.166 11.752 -0.790 1.00 64.03 H new ATOM 0 HA2 GLY A 670 1.485 12.358 -1.213 1.00 30.40 H new ATOM 0 HA3 GLY A 670 2.447 12.791 0.186 1.00 30.40 H new ATOM 1350 N ASN A 671 3.320 15.094 -0.946 1.00 11.11 N ATOM 1351 CA ASN A 671 3.314 16.522 -1.264 1.00 13.33 C ATOM 1352 C ASN A 671 3.540 16.765 -2.756 1.00 73.43 C ATOM 1353 O ASN A 671 3.280 17.849 -3.271 1.00 21.33 O ATOM 1354 CB ASN A 671 4.308 17.331 -0.383 1.00 51.22 C ATOM 1355 CG ASN A 671 5.771 16.905 -0.500 1.00 11.31 C ATOM 1356 OD1 ASN A 671 6.231 16.438 -1.541 1.00 22.21 O ATOM 1357 ND2 ASN A 671 6.507 17.061 0.569 1.00 55.35 N ATOM 0 H ASN A 671 4.151 14.769 -0.453 1.00 11.11 H new ATOM 0 HA ASN A 671 2.319 16.895 -1.022 1.00 13.33 H new ATOM 0 HB2 ASN A 671 4.230 18.385 -0.649 1.00 51.22 H new ATOM 0 HB3 ASN A 671 4.002 17.242 0.659 1.00 51.22 H new ATOM 0 HD21 ASN A 671 7.491 16.793 0.554 1.00 55.35 H new ATOM 0 HD22 ASN A 671 6.097 17.451 1.418 1.00 55.35 H new ATOM 1364 N LYS A 672 4.008 15.742 -3.450 1.00 20.31 N ATOM 1365 CA LYS A 672 4.211 15.820 -4.879 1.00 53.24 C ATOM 1366 C LYS A 672 2.854 15.746 -5.585 1.00 12.40 C ATOM 1367 O LYS A 672 2.566 16.511 -6.502 1.00 1.31 O ATOM 1368 CB LYS A 672 5.105 14.679 -5.343 1.00 70.40 C ATOM 1369 CG LYS A 672 5.431 14.715 -6.816 1.00 54.23 C ATOM 1370 CD LYS A 672 6.243 15.954 -7.172 1.00 5.03 C ATOM 1371 CE LYS A 672 6.629 15.975 -8.640 1.00 3.42 C ATOM 1372 NZ LYS A 672 7.445 14.800 -9.015 1.00 24.03 N ATOM 0 H LYS A 672 4.255 14.842 -3.039 1.00 20.31 H new ATOM 0 HA LYS A 672 4.697 16.764 -5.126 1.00 53.24 H new ATOM 0 HB2 LYS A 672 6.035 14.705 -4.775 1.00 70.40 H new ATOM 0 HB3 LYS A 672 4.617 13.732 -5.112 1.00 70.40 H new ATOM 0 HG2 LYS A 672 5.990 13.820 -7.089 1.00 54.23 H new ATOM 0 HG3 LYS A 672 4.508 14.703 -7.396 1.00 54.23 H new ATOM 0 HD2 LYS A 672 5.665 16.847 -6.936 1.00 5.03 H new ATOM 0 HD3 LYS A 672 7.144 15.986 -6.559 1.00 5.03 H new ATOM 0 HE2 LYS A 672 5.727 16.000 -9.252 1.00 3.42 H new ATOM 0 HE3 LYS A 672 7.186 16.887 -8.855 1.00 3.42 H new ATOM 0 HZ1 LYS A 672 7.896 14.971 -9.936 1.00 24.03 H new ATOM 0 HZ2 LYS A 672 8.178 14.642 -8.294 1.00 24.03 H new ATOM 0 HZ3 LYS A 672 6.835 13.960 -9.079 1.00 24.03 H new ATOM 1386 N ARG A 673 2.041 14.818 -5.141 1.00 3.22 N ATOM 1387 CA ARG A 673 0.686 14.642 -5.635 1.00 41.34 C ATOM 1388 C ARG A 673 -0.215 15.779 -5.167 1.00 41.32 C ATOM 1389 O ARG A 673 -1.178 16.139 -5.838 1.00 14.40 O ATOM 1390 CB ARG A 673 0.129 13.330 -5.107 1.00 25.53 C ATOM 1391 CG ARG A 673 0.564 12.061 -5.815 1.00 25.01 C ATOM 1392 CD ARG A 673 -0.155 11.926 -7.146 1.00 40.44 C ATOM 1393 NE ARG A 673 -1.613 12.074 -6.950 1.00 74.02 N ATOM 1394 CZ ARG A 673 -2.508 11.078 -6.817 1.00 53.52 C ATOM 1395 NH1 ARG A 673 -2.145 9.811 -6.992 1.00 43.53 N ATOM 1396 NH2 ARG A 673 -3.777 11.380 -6.544 1.00 21.13 N ATOM 0 H ARG A 673 2.301 14.151 -4.415 1.00 3.22 H new ATOM 0 HA ARG A 673 0.713 14.638 -6.725 1.00 41.34 H new ATOM 0 HB2 ARG A 673 0.406 13.243 -4.056 1.00 25.53 H new ATOM 0 HB3 ARG A 673 -0.959 13.384 -5.147 1.00 25.53 H new ATOM 0 HG2 ARG A 673 1.642 12.078 -5.976 1.00 25.01 H new ATOM 0 HG3 ARG A 673 0.349 11.195 -5.189 1.00 25.01 H new ATOM 0 HD2 ARG A 673 0.205 12.683 -7.842 1.00 40.44 H new ATOM 0 HD3 ARG A 673 0.064 10.955 -7.590 1.00 40.44 H new ATOM 0 HE ARG A 673 -1.977 13.026 -6.912 1.00 74.02 H new ATOM 0 HH11 ARG A 673 -1.179 9.585 -7.230 1.00 43.53 H new ATOM 0 HH12 ARG A 673 -2.832 9.065 -6.888 1.00 43.53 H new ATOM 0 HH21 ARG A 673 -4.058 12.355 -6.439 1.00 21.13 H new ATOM 0 HH22 ARG A 673 -4.467 10.636 -6.440 1.00 21.13 H new ATOM 1410 N GLY A 674 0.092 16.307 -4.005 1.00 54.33 N ATOM 1411 CA GLY A 674 -0.723 17.360 -3.403 1.00 11.44 C ATOM 1412 C GLY A 674 -1.674 16.760 -2.396 1.00 34.04 C ATOM 1413 O GLY A 674 -2.167 17.430 -1.469 1.00 65.22 O ATOM 0 H GLY A 674 0.901 16.030 -3.449 1.00 54.33 H new ATOM 0 HA2 GLY A 674 -0.082 18.096 -2.917 1.00 11.44 H new ATOM 0 HA3 GLY A 674 -1.283 17.886 -4.176 1.00 11.44 H new ATOM 1417 N MET A 675 -1.925 15.500 -2.585 1.00 0.02 N ATOM 1418 CA MET A 675 -2.735 14.706 -1.730 1.00 0.11 C ATOM 1419 C MET A 675 -2.192 13.317 -1.767 1.00 13.53 C ATOM 1420 O MET A 675 -1.472 12.971 -2.680 1.00 64.01 O ATOM 1421 CB MET A 675 -4.230 14.727 -2.148 1.00 45.41 C ATOM 1422 CG MET A 675 -4.556 14.205 -3.532 1.00 24.45 C ATOM 1423 SD MET A 675 -6.335 14.296 -3.862 1.00 65.33 S ATOM 1424 CE MET A 675 -6.406 13.690 -5.541 1.00 52.12 C ATOM 0 H MET A 675 -1.550 14.979 -3.378 1.00 0.02 H new ATOM 0 HA MET A 675 -2.703 15.111 -0.718 1.00 0.11 H new ATOM 0 HB2 MET A 675 -4.795 14.142 -1.422 1.00 45.41 H new ATOM 0 HB3 MET A 675 -4.589 15.754 -2.078 1.00 45.41 H new ATOM 0 HG2 MET A 675 -4.014 14.785 -4.279 1.00 24.45 H new ATOM 0 HG3 MET A 675 -4.219 13.173 -3.623 1.00 24.45 H new ATOM 0 HE1 MET A 675 -7.447 13.570 -5.841 1.00 52.12 H new ATOM 0 HE2 MET A 675 -5.917 14.402 -6.206 1.00 52.12 H new ATOM 0 HE3 MET A 675 -5.898 12.728 -5.602 1.00 52.12 H new ATOM 1434 N ILE A 676 -2.517 12.544 -0.819 1.00 62.23 N ATOM 1435 CA ILE A 676 -2.041 11.219 -0.758 1.00 1.53 C ATOM 1436 C ILE A 676 -3.179 10.256 -1.021 1.00 12.22 C ATOM 1437 O ILE A 676 -4.257 10.384 -0.478 1.00 43.42 O ATOM 1438 CB ILE A 676 -1.304 10.906 0.584 1.00 4.35 C ATOM 1439 CG1 ILE A 676 -0.970 9.412 0.653 1.00 53.24 C ATOM 1440 CG2 ILE A 676 -2.124 11.358 1.772 1.00 11.21 C ATOM 1441 CD1 ILE A 676 -0.176 8.964 1.830 1.00 71.24 C ATOM 0 H ILE A 676 -3.130 12.810 -0.048 1.00 62.23 H new ATOM 0 HA ILE A 676 -1.290 11.093 -1.538 1.00 1.53 H new ATOM 0 HB ILE A 676 -0.369 11.465 0.617 1.00 4.35 H new ATOM 0 HG12 ILE A 676 -1.905 8.852 0.639 1.00 53.24 H new ATOM 0 HG13 ILE A 676 -0.423 9.142 -0.250 1.00 53.24 H new ATOM 0 HG21 ILE A 676 -1.588 11.128 2.693 1.00 11.21 H new ATOM 0 HG22 ILE A 676 -2.293 12.433 1.709 1.00 11.21 H new ATOM 0 HG23 ILE A 676 -3.083 10.839 1.771 1.00 11.21 H new ATOM 0 HD11 ILE A 676 -0.004 7.890 1.765 1.00 71.24 H new ATOM 0 HD12 ILE A 676 0.782 9.484 1.842 1.00 71.24 H new ATOM 0 HD13 ILE A 676 -0.723 9.190 2.745 1.00 71.24 H new ATOM 1453 N GLN A 677 -2.924 9.335 -1.875 1.00 12.42 N ATOM 1454 CA GLN A 677 -3.907 8.384 -2.318 1.00 24.41 C ATOM 1455 C GLN A 677 -3.727 7.078 -1.586 1.00 75.31 C ATOM 1456 O GLN A 677 -2.641 6.540 -1.553 1.00 62.30 O ATOM 1457 CB GLN A 677 -3.739 8.161 -3.810 1.00 13.32 C ATOM 1458 CG GLN A 677 -4.749 7.230 -4.422 1.00 65.01 C ATOM 1459 CD GLN A 677 -4.593 7.138 -5.924 1.00 3.23 C ATOM 1460 OE1 GLN A 677 -3.481 7.274 -6.455 1.00 73.31 O ATOM 1461 NE2 GLN A 677 -5.678 6.929 -6.619 1.00 70.20 N ATOM 0 H GLN A 677 -2.007 9.208 -2.303 1.00 12.42 H new ATOM 0 HA GLN A 677 -4.906 8.768 -2.111 1.00 24.41 H new ATOM 0 HB2 GLN A 677 -3.798 9.124 -4.317 1.00 13.32 H new ATOM 0 HB3 GLN A 677 -2.741 7.765 -3.995 1.00 13.32 H new ATOM 0 HG2 GLN A 677 -4.640 6.238 -3.984 1.00 65.01 H new ATOM 0 HG3 GLN A 677 -5.754 7.576 -4.182 1.00 65.01 H new ATOM 0 HE21 GLN A 677 -6.575 6.822 -6.145 1.00 70.20 H new ATOM 0 HE22 GLN A 677 -5.629 6.872 -7.636 1.00 70.20 H new ATOM 1470 N LEU A 678 -4.767 6.583 -0.999 1.00 71.41 N ATOM 1471 CA LEU A 678 -4.679 5.336 -0.294 1.00 51.30 C ATOM 1472 C LEU A 678 -5.763 4.420 -0.795 1.00 13.13 C ATOM 1473 O LEU A 678 -6.941 4.793 -0.845 1.00 21.52 O ATOM 1474 CB LEU A 678 -4.888 5.502 1.239 1.00 5.13 C ATOM 1475 CG LEU A 678 -4.015 6.506 2.004 1.00 50.31 C ATOM 1476 CD1 LEU A 678 -2.536 6.224 1.808 1.00 0.54 C ATOM 1477 CD2 LEU A 678 -4.386 7.950 1.655 1.00 64.23 C ATOM 0 H LEU A 678 -5.689 7.019 -0.991 1.00 71.41 H new ATOM 0 HA LEU A 678 -3.680 4.936 -0.470 1.00 51.30 H new ATOM 0 HB2 LEU A 678 -5.929 5.781 1.401 1.00 5.13 H new ATOM 0 HB3 LEU A 678 -4.745 4.524 1.699 1.00 5.13 H new ATOM 0 HG LEU A 678 -4.218 6.378 3.067 1.00 50.31 H new ATOM 0 HD11 LEU A 678 -1.949 6.955 2.364 1.00 0.54 H new ATOM 0 HD12 LEU A 678 -2.305 5.222 2.170 1.00 0.54 H new ATOM 0 HD13 LEU A 678 -2.290 6.292 0.748 1.00 0.54 H new ATOM 0 HD21 LEU A 678 -3.749 8.635 2.214 1.00 64.23 H new ATOM 0 HD22 LEU A 678 -4.245 8.114 0.587 1.00 64.23 H new ATOM 0 HD23 LEU A 678 -5.429 8.131 1.915 1.00 64.23 H new ATOM 1489 N ILE A 679 -5.390 3.265 -1.176 1.00 52.05 N ATOM 1490 CA ILE A 679 -6.343 2.258 -1.502 1.00 50.02 C ATOM 1491 C ILE A 679 -6.348 1.338 -0.324 1.00 71.11 C ATOM 1492 O ILE A 679 -5.295 0.885 0.104 1.00 41.33 O ATOM 1493 CB ILE A 679 -6.029 1.459 -2.831 1.00 62.11 C ATOM 1494 CG1 ILE A 679 -6.165 2.337 -4.110 1.00 0.24 C ATOM 1495 CG2 ILE A 679 -6.926 0.233 -2.954 1.00 0.03 C ATOM 1496 CD1 ILE A 679 -5.169 3.471 -4.251 1.00 21.23 C ATOM 0 H ILE A 679 -4.416 2.979 -1.275 1.00 52.05 H new ATOM 0 HA ILE A 679 -7.310 2.721 -1.700 1.00 50.02 H new ATOM 0 HB ILE A 679 -4.988 1.144 -2.757 1.00 62.11 H new ATOM 0 HG12 ILE A 679 -6.073 1.689 -4.982 1.00 0.24 H new ATOM 0 HG13 ILE A 679 -7.170 2.759 -4.131 1.00 0.24 H new ATOM 0 HG21 ILE A 679 -6.691 -0.299 -3.876 1.00 0.03 H new ATOM 0 HG22 ILE A 679 -6.760 -0.426 -2.102 1.00 0.03 H new ATOM 0 HG23 ILE A 679 -7.970 0.546 -2.972 1.00 0.03 H new ATOM 0 HD11 ILE A 679 -5.361 4.011 -5.178 1.00 21.23 H new ATOM 0 HD12 ILE A 679 -5.271 4.152 -3.406 1.00 21.23 H new ATOM 0 HD13 ILE A 679 -4.157 3.066 -4.270 1.00 21.23 H new ATOM 1508 N VAL A 680 -7.489 1.098 0.206 1.00 41.14 N ATOM 1509 CA VAL A 680 -7.627 0.319 1.401 1.00 62.43 C ATOM 1510 C VAL A 680 -8.545 -0.871 1.119 1.00 72.34 C ATOM 1511 O VAL A 680 -9.229 -0.886 0.096 1.00 63.12 O ATOM 1512 CB VAL A 680 -8.202 1.194 2.565 1.00 1.20 C ATOM 1513 CG1 VAL A 680 -7.247 2.308 2.987 1.00 62.21 C ATOM 1514 CG2 VAL A 680 -9.567 1.760 2.219 1.00 21.14 C ATOM 0 H VAL A 680 -8.372 1.437 -0.175 1.00 41.14 H new ATOM 0 HA VAL A 680 -6.647 -0.046 1.710 1.00 62.43 H new ATOM 0 HB VAL A 680 -8.317 0.526 3.419 1.00 1.20 H new ATOM 0 HG11 VAL A 680 -7.695 2.884 3.797 1.00 62.21 H new ATOM 0 HG12 VAL A 680 -6.308 1.872 3.328 1.00 62.21 H new ATOM 0 HG13 VAL A 680 -7.055 2.964 2.138 1.00 62.21 H new ATOM 0 HG21 VAL A 680 -9.933 2.361 3.051 1.00 21.14 H new ATOM 0 HG22 VAL A 680 -9.487 2.383 1.328 1.00 21.14 H new ATOM 0 HG23 VAL A 680 -10.262 0.942 2.029 1.00 21.14 H new ATOM 1524 N ALA A 681 -8.551 -1.846 1.984 1.00 31.02 N ATOM 1525 CA ALA A 681 -9.328 -3.046 1.797 1.00 60.22 C ATOM 1526 C ALA A 681 -9.976 -3.471 3.076 1.00 50.41 C ATOM 1527 O ALA A 681 -9.308 -3.623 4.116 1.00 25.25 O ATOM 1528 CB ALA A 681 -8.458 -4.171 1.313 1.00 52.04 C ATOM 0 H ALA A 681 -8.012 -1.833 2.850 1.00 31.02 H new ATOM 0 HA ALA A 681 -10.094 -2.821 1.055 1.00 60.22 H new ATOM 0 HB1 ALA A 681 -9.064 -5.067 1.178 1.00 52.04 H new ATOM 0 HB2 ALA A 681 -8.002 -3.895 0.362 1.00 52.04 H new ATOM 0 HB3 ALA A 681 -7.676 -4.368 2.047 1.00 52.04 H new ATOM 1534 N ARG A 682 -11.241 -3.742 3.010 1.00 71.12 N ATOM 1535 CA ARG A 682 -11.933 -4.162 4.178 1.00 0.11 C ATOM 1536 C ARG A 682 -12.291 -5.602 4.091 1.00 31.23 C ATOM 1537 O ARG A 682 -12.625 -6.119 3.013 1.00 50.14 O ATOM 1538 CB ARG A 682 -13.211 -3.378 4.427 1.00 63.52 C ATOM 1539 CG ARG A 682 -14.252 -3.451 3.335 1.00 44.34 C ATOM 1540 CD ARG A 682 -15.593 -3.098 3.909 1.00 32.24 C ATOM 1541 NE ARG A 682 -16.658 -3.010 2.901 1.00 4.21 N ATOM 1542 CZ ARG A 682 -17.976 -3.082 3.174 1.00 24.03 C ATOM 1543 NH1 ARG A 682 -18.392 -3.275 4.420 1.00 3.24 N ATOM 1544 NH2 ARG A 682 -18.867 -2.952 2.202 1.00 13.20 N ATOM 0 H ARG A 682 -11.809 -3.680 2.165 1.00 71.12 H new ATOM 0 HA ARG A 682 -11.247 -3.980 5.005 1.00 0.11 H new ATOM 0 HB2 ARG A 682 -13.659 -3.735 5.354 1.00 63.52 H new ATOM 0 HB3 ARG A 682 -12.948 -2.332 4.583 1.00 63.52 H new ATOM 0 HG2 ARG A 682 -13.997 -2.766 2.526 1.00 44.34 H new ATOM 0 HG3 ARG A 682 -14.278 -4.453 2.907 1.00 44.34 H new ATOM 0 HD2 ARG A 682 -15.869 -3.845 4.653 1.00 32.24 H new ATOM 0 HD3 ARG A 682 -15.517 -2.143 4.429 1.00 32.24 H new ATOM 0 HE ARG A 682 -16.381 -2.886 1.927 1.00 4.21 H new ATOM 0 HH11 ARG A 682 -17.713 -3.369 5.175 1.00 3.24 H new ATOM 0 HH12 ARG A 682 -19.390 -3.329 4.622 1.00 3.24 H new ATOM 0 HH21 ARG A 682 -18.556 -2.797 1.243 1.00 13.20 H new ATOM 0 HH22 ARG A 682 -19.863 -3.007 2.413 1.00 13.20 H new ATOM 1839 N GLU B 780 3.736 -4.083 15.750 1.00 21.52 N ATOM 1840 CA GLU B 780 4.289 -3.014 14.972 1.00 35.41 C ATOM 1841 C GLU B 780 3.228 -1.969 14.631 1.00 14.01 C ATOM 1842 O GLU B 780 2.228 -2.257 13.995 1.00 63.03 O ATOM 1843 CB GLU B 780 5.044 -3.556 13.764 1.00 21.54 C ATOM 1844 CG GLU B 780 4.223 -4.357 12.797 1.00 34.53 C ATOM 1845 CD GLU B 780 5.084 -5.121 11.819 1.00 23.51 C ATOM 1846 OE1 GLU B 780 5.920 -4.499 11.120 1.00 71.41 O ATOM 1847 OE2 GLU B 780 4.920 -6.366 11.719 1.00 52.14 O ATOM 0 HA GLU B 780 5.030 -2.485 15.571 1.00 35.41 H new ATOM 0 HB2 GLU B 780 5.489 -2.717 13.229 1.00 21.54 H new ATOM 0 HB3 GLU B 780 5.865 -4.178 14.120 1.00 21.54 H new ATOM 0 HG2 GLU B 780 3.594 -5.056 13.348 1.00 34.53 H new ATOM 0 HG3 GLU B 780 3.556 -3.691 12.249 1.00 34.53 H new ATOM 1854 N GLU B 781 3.468 -0.771 15.088 1.00 71.12 N ATOM 1855 CA GLU B 781 2.551 0.358 14.959 1.00 25.34 C ATOM 1856 C GLU B 781 3.262 1.569 14.419 1.00 32.21 C ATOM 1857 O GLU B 781 4.429 1.780 14.709 1.00 62.33 O ATOM 1858 CB GLU B 781 1.970 0.695 16.321 1.00 4.44 C ATOM 1859 CG GLU B 781 0.899 -0.242 16.815 1.00 61.32 C ATOM 1860 CD GLU B 781 0.676 -0.146 18.297 1.00 62.54 C ATOM 1861 OE1 GLU B 781 -0.134 0.681 18.727 1.00 70.05 O ATOM 1862 OE2 GLU B 781 1.305 -0.909 19.058 1.00 3.01 O ATOM 0 H GLU B 781 4.330 -0.533 15.578 1.00 71.12 H new ATOM 0 HA GLU B 781 1.757 0.078 14.267 1.00 25.34 H new ATOM 0 HB2 GLU B 781 2.781 0.710 17.050 1.00 4.44 H new ATOM 0 HB3 GLU B 781 1.558 1.703 16.282 1.00 4.44 H new ATOM 0 HG2 GLU B 781 -0.035 -0.023 16.297 1.00 61.32 H new ATOM 0 HG3 GLU B 781 1.173 -1.266 16.560 1.00 61.32 H new ATOM 1869 N LEU B 782 2.565 2.346 13.638 1.00 51.04 N ATOM 1870 CA LEU B 782 3.077 3.538 13.060 1.00 30.51 C ATOM 1871 C LEU B 782 1.965 4.590 12.994 1.00 45.33 C ATOM 1872 O LEU B 782 0.820 4.253 12.790 1.00 74.05 O ATOM 1873 CB LEU B 782 3.519 3.196 11.649 1.00 44.50 C ATOM 1874 CG LEU B 782 3.992 4.332 10.800 1.00 43.31 C ATOM 1875 CD1 LEU B 782 5.256 4.930 11.369 1.00 33.34 C ATOM 1876 CD2 LEU B 782 4.174 3.883 9.384 1.00 43.12 C ATOM 0 H LEU B 782 1.596 2.154 13.384 1.00 51.04 H new ATOM 0 HA LEU B 782 3.905 3.932 13.649 1.00 30.51 H new ATOM 0 HB2 LEU B 782 4.322 2.461 11.712 1.00 44.50 H new ATOM 0 HB3 LEU B 782 2.685 2.714 11.139 1.00 44.50 H new ATOM 0 HG LEU B 782 3.234 5.115 10.802 1.00 43.31 H new ATOM 0 HD11 LEU B 782 5.585 5.755 10.737 1.00 33.34 H new ATOM 0 HD12 LEU B 782 5.063 5.299 12.376 1.00 33.34 H new ATOM 0 HD13 LEU B 782 6.035 4.168 11.405 1.00 33.34 H new ATOM 0 HD21 LEU B 782 4.519 4.721 8.778 1.00 43.12 H new ATOM 0 HD22 LEU B 782 4.912 3.082 9.348 1.00 43.12 H new ATOM 0 HD23 LEU B 782 3.224 3.519 8.993 1.00 43.12 H new ATOM 1888 N ILE B 783 2.284 5.825 13.232 1.00 32.52 N ATOM 1889 CA ILE B 783 1.322 6.911 12.990 1.00 12.14 C ATOM 1890 C ILE B 783 1.685 7.599 11.672 1.00 74.23 C ATOM 1891 O ILE B 783 2.871 7.804 11.383 1.00 3.22 O ATOM 1892 CB ILE B 783 1.234 8.012 14.136 1.00 70.10 C ATOM 1893 CG1 ILE B 783 0.775 7.431 15.491 1.00 1.21 C ATOM 1894 CG2 ILE B 783 0.304 9.165 13.734 1.00 31.33 C ATOM 1895 CD1 ILE B 783 1.798 6.591 16.206 1.00 23.34 C ATOM 0 H ILE B 783 3.190 6.127 13.591 1.00 32.52 H new ATOM 0 HA ILE B 783 0.340 6.438 12.963 1.00 12.14 H new ATOM 0 HB ILE B 783 2.248 8.391 14.261 1.00 70.10 H new ATOM 0 HG12 ILE B 783 0.485 8.255 16.143 1.00 1.21 H new ATOM 0 HG13 ILE B 783 -0.117 6.827 15.326 1.00 1.21 H new ATOM 0 HG21 ILE B 783 0.266 9.899 14.539 1.00 31.33 H new ATOM 0 HG22 ILE B 783 0.682 9.638 12.828 1.00 31.33 H new ATOM 0 HG23 ILE B 783 -0.698 8.777 13.550 1.00 31.33 H new ATOM 0 HD11 ILE B 783 1.380 6.230 17.146 1.00 23.34 H new ATOM 0 HD12 ILE B 783 2.072 5.741 15.581 1.00 23.34 H new ATOM 0 HD13 ILE B 783 2.684 7.192 16.410 1.00 23.34 H new ATOM 1907 N ILE B 784 0.702 7.907 10.864 1.00 14.25 N ATOM 1908 CA ILE B 784 0.947 8.603 9.645 1.00 33.41 C ATOM 1909 C ILE B 784 0.356 9.996 9.671 1.00 44.11 C ATOM 1910 O ILE B 784 1.079 10.924 10.078 1.00 37.12 O ATOM 1911 CB ILE B 784 0.555 7.808 8.374 1.00 42.33 C ATOM 1912 CG1 ILE B 784 -0.838 7.167 8.488 1.00 21.21 C ATOM 1913 CG2 ILE B 784 1.632 6.792 8.006 1.00 60.33 C ATOM 1914 CD1 ILE B 784 -1.264 6.439 7.235 1.00 63.12 C ATOM 1915 OXT ILE B 784 -0.816 10.183 9.313 1.00 37.12 O ATOM 0 H ILE B 784 -0.277 7.681 11.038 1.00 14.25 H new ATOM 0 HA ILE B 784 2.029 8.711 9.575 1.00 33.41 H new ATOM 0 HB ILE B 784 0.489 8.523 7.554 1.00 42.33 H new ATOM 0 HG12 ILE B 784 -0.842 6.469 9.325 1.00 21.21 H new ATOM 0 HG13 ILE B 784 -1.570 7.942 8.716 1.00 21.21 H new ATOM 0 HG21 ILE B 784 1.329 6.249 7.110 1.00 60.33 H new ATOM 0 HG22 ILE B 784 2.572 7.311 7.816 1.00 60.33 H new ATOM 0 HG23 ILE B 784 1.765 6.089 8.828 1.00 60.33 H new ATOM 0 HD11 ILE B 784 -2.255 6.010 7.382 1.00 63.12 H new ATOM 0 HD12 ILE B 784 -1.292 7.138 6.399 1.00 63.12 H new ATOM 0 HD13 ILE B 784 -0.553 5.642 7.018 1.00 63.12 H new