USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 622 LYS NZ :NH3+ 158:sc= -0.727 (180deg=-1.79!) USER MOD Set 1.2: A 623 SER OG : rot 180:sc= 0.156 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 596 SER OG : rot 38:sc= 0.495 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.186 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -3.55! K(o=-3.6!,f=-0.28) USER MOD Single : A 610 SER OG : rot 180:sc= -0.152 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot -100:sc= -0.324 USER MOD Single : A 632 LYS NZ :NH3+ 149:sc= 1.27 (180deg=0.391!) USER MOD Single : A 639 ASN : amide:sc= -0.0984 X(o=-0.098,f=0.072) USER MOD Single : A 641 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.5) USER MOD Single : A 646 ASN : amide:sc= -0.822 K(o=-0.82,f=-13!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -140:sc= -1.14 (180deg=-3.21!) USER MOD Single : A 655 ASN : amide:sc= -2.35 X(o=-2.4,f=-2.4!) USER MOD Single : A 656 GLN : amide:sc= -3.32! K(o=-3.3!,f=-0.17) USER MOD Single : A 659 MET CE :methyl -158:sc= -0.0949 (180deg=-0.527) USER MOD Single : A 661 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 665 SER OG : rot 77:sc= 0.122 USER MOD Single : A 666 MET CE :methyl -116:sc= -0.929 (180deg=-3.53!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 85:sc= 0.126 USER MOD Single : A 671 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 672 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.238) USER MOD Single : A 675 MET CE :methyl 162:sc= -0.076 (180deg=-0.492) USER MOD Single : A 677 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.264 -5.611 -0.918 1.00 13.04 N ATOM 79 CA GLU A 585 -13.305 -4.649 -1.998 1.00 71.52 C ATOM 80 C GLU A 585 -12.314 -3.546 -1.689 1.00 21.31 C ATOM 81 O GLU A 585 -11.994 -3.313 -0.522 1.00 30.55 O ATOM 82 CB GLU A 585 -14.715 -4.060 -2.160 1.00 2.33 C ATOM 83 CG GLU A 585 -15.187 -3.259 -0.962 1.00 61.04 C ATOM 84 CD GLU A 585 -16.583 -2.733 -1.119 1.00 73.24 C ATOM 85 OE1 GLU A 585 -16.789 -1.737 -1.832 1.00 72.51 O ATOM 86 OE2 GLU A 585 -17.496 -3.294 -0.506 1.00 43.32 O ATOM 0 HA GLU A 585 -13.045 -5.144 -2.934 1.00 71.52 H new ATOM 0 HB2 GLU A 585 -14.732 -3.420 -3.042 1.00 2.33 H new ATOM 0 HB3 GLU A 585 -15.419 -4.872 -2.342 1.00 2.33 H new ATOM 0 HG2 GLU A 585 -15.139 -3.886 -0.072 1.00 61.04 H new ATOM 0 HG3 GLU A 585 -14.506 -2.423 -0.800 1.00 61.04 H new ATOM 93 N PHE A 586 -11.812 -2.903 -2.697 1.00 53.13 N ATOM 94 CA PHE A 586 -10.880 -1.816 -2.498 1.00 14.22 C ATOM 95 C PHE A 586 -11.582 -0.492 -2.441 1.00 52.51 C ATOM 96 O PHE A 586 -12.422 -0.175 -3.300 1.00 61.22 O ATOM 97 CB PHE A 586 -9.789 -1.784 -3.575 1.00 42.21 C ATOM 98 CG PHE A 586 -8.765 -2.890 -3.499 1.00 51.42 C ATOM 99 CD1 PHE A 586 -8.867 -3.913 -2.565 1.00 25.11 C ATOM 100 CD2 PHE A 586 -7.687 -2.886 -4.358 1.00 34.30 C ATOM 101 CE1 PHE A 586 -7.913 -4.903 -2.498 1.00 54.31 C ATOM 102 CE2 PHE A 586 -6.730 -3.869 -4.296 1.00 21.42 C ATOM 103 CZ PHE A 586 -6.844 -4.884 -3.363 1.00 11.32 C ATOM 0 H PHE A 586 -12.028 -3.106 -3.673 1.00 53.13 H new ATOM 0 HA PHE A 586 -10.399 -1.998 -1.537 1.00 14.22 H new ATOM 0 HB2 PHE A 586 -10.268 -1.823 -4.553 1.00 42.21 H new ATOM 0 HB3 PHE A 586 -9.270 -0.828 -3.513 1.00 42.21 H new ATOM 0 HD1 PHE A 586 -9.705 -3.932 -1.883 1.00 25.11 H new ATOM 0 HD2 PHE A 586 -7.594 -2.098 -5.091 1.00 34.30 H new ATOM 0 HE1 PHE A 586 -8.004 -5.693 -1.767 1.00 54.31 H new ATOM 0 HE2 PHE A 586 -5.890 -3.850 -4.974 1.00 21.42 H new ATOM 0 HZ PHE A 586 -6.095 -5.660 -3.314 1.00 11.32 H new ATOM 113 N LEU A 587 -11.246 0.267 -1.442 1.00 53.42 N ATOM 114 CA LEU A 587 -11.749 1.591 -1.257 1.00 62.34 C ATOM 115 C LEU A 587 -10.608 2.541 -1.404 1.00 70.12 C ATOM 116 O LEU A 587 -9.538 2.341 -0.835 1.00 71.14 O ATOM 117 CB LEU A 587 -12.380 1.758 0.120 1.00 62.15 C ATOM 118 CG LEU A 587 -13.582 0.881 0.408 1.00 33.42 C ATOM 119 CD1 LEU A 587 -14.028 1.044 1.848 1.00 73.31 C ATOM 120 CD2 LEU A 587 -14.732 1.206 -0.533 1.00 32.12 C ATOM 0 H LEU A 587 -10.596 -0.028 -0.714 1.00 53.42 H new ATOM 0 HA LEU A 587 -12.522 1.790 -2.000 1.00 62.34 H new ATOM 0 HB2 LEU A 587 -11.619 1.557 0.874 1.00 62.15 H new ATOM 0 HB3 LEU A 587 -12.678 2.800 0.238 1.00 62.15 H new ATOM 0 HG LEU A 587 -13.286 -0.155 0.246 1.00 33.42 H new ATOM 0 HD11 LEU A 587 -14.892 0.407 2.036 1.00 73.31 H new ATOM 0 HD12 LEU A 587 -13.215 0.759 2.515 1.00 73.31 H new ATOM 0 HD13 LEU A 587 -14.298 2.084 2.030 1.00 73.31 H new ATOM 0 HD21 LEU A 587 -15.582 0.563 -0.305 1.00 32.12 H new ATOM 0 HD22 LEU A 587 -15.022 2.249 -0.406 1.00 32.12 H new ATOM 0 HD23 LEU A 587 -14.417 1.040 -1.563 1.00 32.12 H new ATOM 132 N THR A 588 -10.813 3.535 -2.159 1.00 70.00 N ATOM 133 CA THR A 588 -9.795 4.503 -2.391 1.00 61.33 C ATOM 134 C THR A 588 -10.201 5.826 -1.782 1.00 23.32 C ATOM 135 O THR A 588 -11.252 6.391 -2.123 1.00 22.32 O ATOM 136 CB THR A 588 -9.543 4.670 -3.901 1.00 22.23 C ATOM 137 OG1 THR A 588 -9.204 3.394 -4.464 1.00 51.13 O ATOM 138 CG2 THR A 588 -8.412 5.653 -4.165 1.00 40.51 C ATOM 0 H THR A 588 -11.692 3.716 -2.644 1.00 70.00 H new ATOM 0 HA THR A 588 -8.871 4.161 -1.924 1.00 61.33 H new ATOM 0 HB THR A 588 -10.450 5.061 -4.362 1.00 22.23 H new ATOM 0 HG1 THR A 588 -9.044 3.493 -5.426 1.00 51.13 H new ATOM 0 HG21 THR A 588 -8.258 5.750 -5.240 1.00 40.51 H new ATOM 0 HG22 THR A 588 -8.670 6.626 -3.746 1.00 40.51 H new ATOM 0 HG23 THR A 588 -7.497 5.289 -3.698 1.00 40.51 H new ATOM 146 N PHE A 589 -9.392 6.311 -0.893 1.00 24.33 N ATOM 147 CA PHE A 589 -9.629 7.576 -0.259 1.00 33.13 C ATOM 148 C PHE A 589 -8.482 8.501 -0.578 1.00 52.31 C ATOM 149 O PHE A 589 -7.331 8.098 -0.487 1.00 2.43 O ATOM 150 CB PHE A 589 -9.757 7.408 1.267 1.00 32.21 C ATOM 151 CG PHE A 589 -10.934 6.573 1.666 1.00 21.10 C ATOM 152 CD1 PHE A 589 -12.176 6.876 1.176 1.00 10.10 C ATOM 153 CD2 PHE A 589 -10.800 5.486 2.515 1.00 72.44 C ATOM 154 CE1 PHE A 589 -13.266 6.134 1.504 1.00 53.52 C ATOM 155 CE2 PHE A 589 -11.903 4.719 2.863 1.00 20.12 C ATOM 156 CZ PHE A 589 -13.140 5.047 2.353 1.00 10.43 C ATOM 0 H PHE A 589 -8.542 5.840 -0.583 1.00 24.33 H new ATOM 0 HA PHE A 589 -10.564 7.994 -0.633 1.00 33.13 H new ATOM 0 HB2 PHE A 589 -8.846 6.951 1.655 1.00 32.21 H new ATOM 0 HB3 PHE A 589 -9.842 8.391 1.730 1.00 32.21 H new ATOM 0 HD1 PHE A 589 -12.292 7.722 0.515 1.00 10.10 H new ATOM 0 HD2 PHE A 589 -9.827 5.233 2.910 1.00 72.44 H new ATOM 0 HE1 PHE A 589 -14.234 6.393 1.101 1.00 53.52 H new ATOM 0 HE2 PHE A 589 -11.793 3.874 3.527 1.00 20.12 H new ATOM 0 HZ PHE A 589 -14.008 4.459 2.614 1.00 10.43 H new ATOM 166 N GLU A 590 -8.765 9.705 -0.976 1.00 3.43 N ATOM 167 CA GLU A 590 -7.709 10.640 -1.262 1.00 31.33 C ATOM 168 C GLU A 590 -7.730 11.753 -0.257 1.00 51.24 C ATOM 169 O GLU A 590 -8.771 12.327 0.029 1.00 35.52 O ATOM 170 CB GLU A 590 -7.749 11.159 -2.698 1.00 40.14 C ATOM 171 CG GLU A 590 -7.600 10.059 -3.742 1.00 2.52 C ATOM 172 CD GLU A 590 -7.486 10.588 -5.146 1.00 51.04 C ATOM 173 OE1 GLU A 590 -8.524 10.941 -5.749 1.00 3.31 O ATOM 174 OE2 GLU A 590 -6.363 10.661 -5.673 1.00 61.42 O ATOM 0 H GLU A 590 -9.710 10.065 -1.111 1.00 3.43 H new ATOM 0 HA GLU A 590 -6.760 10.110 -1.175 1.00 31.33 H new ATOM 0 HB2 GLU A 590 -8.692 11.680 -2.862 1.00 40.14 H new ATOM 0 HB3 GLU A 590 -6.952 11.890 -2.835 1.00 40.14 H new ATOM 0 HG2 GLU A 590 -6.716 9.465 -3.511 1.00 2.52 H new ATOM 0 HG3 GLU A 590 -8.458 9.390 -3.681 1.00 2.52 H new ATOM 181 N VAL A 591 -6.595 12.050 0.266 1.00 23.11 N ATOM 182 CA VAL A 591 -6.458 12.978 1.346 1.00 75.32 C ATOM 183 C VAL A 591 -5.495 14.054 0.930 1.00 4.23 C ATOM 184 O VAL A 591 -4.360 13.773 0.637 1.00 31.23 O ATOM 185 CB VAL A 591 -5.903 12.238 2.604 1.00 64.44 C ATOM 186 CG1 VAL A 591 -5.726 13.184 3.787 1.00 13.31 C ATOM 187 CG2 VAL A 591 -6.836 11.110 2.992 1.00 54.32 C ATOM 0 H VAL A 591 -5.711 11.649 -0.048 1.00 23.11 H new ATOM 0 HA VAL A 591 -7.426 13.415 1.589 1.00 75.32 H new ATOM 0 HB VAL A 591 -4.923 11.838 2.345 1.00 64.44 H new ATOM 0 HG11 VAL A 591 -5.338 12.629 4.641 1.00 13.31 H new ATOM 0 HG12 VAL A 591 -5.025 13.975 3.519 1.00 13.31 H new ATOM 0 HG13 VAL A 591 -6.688 13.625 4.047 1.00 13.31 H new ATOM 0 HG21 VAL A 591 -6.443 10.598 3.870 1.00 54.32 H new ATOM 0 HG22 VAL A 591 -7.822 11.515 3.219 1.00 54.32 H new ATOM 0 HG23 VAL A 591 -6.916 10.403 2.166 1.00 54.32 H new ATOM 197 N PRO A 592 -5.923 15.282 0.855 1.00 65.42 N ATOM 198 CA PRO A 592 -5.044 16.347 0.483 1.00 53.03 C ATOM 199 C PRO A 592 -4.204 16.809 1.658 1.00 3.32 C ATOM 200 O PRO A 592 -4.653 16.778 2.817 1.00 53.34 O ATOM 201 CB PRO A 592 -5.994 17.447 0.037 1.00 62.15 C ATOM 202 CG PRO A 592 -7.207 17.237 0.868 1.00 21.52 C ATOM 203 CD PRO A 592 -7.297 15.752 1.114 1.00 74.33 C ATOM 0 HA PRO A 592 -4.332 16.052 -0.288 1.00 53.03 H new ATOM 0 HB2 PRO A 592 -5.565 18.435 0.201 1.00 62.15 H new ATOM 0 HB3 PRO A 592 -6.221 17.371 -1.026 1.00 62.15 H new ATOM 0 HG2 PRO A 592 -7.134 17.784 1.808 1.00 21.52 H new ATOM 0 HG3 PRO A 592 -8.098 17.601 0.356 1.00 21.52 H new ATOM 0 HD2 PRO A 592 -7.612 15.531 2.134 1.00 74.33 H new ATOM 0 HD3 PRO A 592 -8.017 15.277 0.448 1.00 74.33 H new ATOM 211 N LEU A 593 -2.995 17.234 1.373 1.00 65.33 N ATOM 212 CA LEU A 593 -2.140 17.822 2.384 1.00 23.51 C ATOM 213 C LEU A 593 -2.560 19.242 2.570 1.00 5.22 C ATOM 214 O LEU A 593 -1.874 20.198 2.186 1.00 40.42 O ATOM 215 CB LEU A 593 -0.623 17.711 2.072 1.00 3.13 C ATOM 216 CG LEU A 593 0.057 16.338 2.289 1.00 1.15 C ATOM 217 CD1 LEU A 593 -0.012 15.935 3.754 1.00 62.30 C ATOM 218 CD2 LEU A 593 -0.548 15.253 1.405 1.00 3.20 C ATOM 0 H LEU A 593 -2.577 17.184 0.444 1.00 65.33 H new ATOM 0 HA LEU A 593 -2.266 17.257 3.307 1.00 23.51 H new ATOM 0 HB2 LEU A 593 -0.473 17.999 1.032 1.00 3.13 H new ATOM 0 HB3 LEU A 593 -0.100 18.445 2.685 1.00 3.13 H new ATOM 0 HG LEU A 593 1.103 16.444 2.001 1.00 1.15 H new ATOM 0 HD11 LEU A 593 0.471 14.967 3.888 1.00 62.30 H new ATOM 0 HD12 LEU A 593 0.498 16.683 4.361 1.00 62.30 H new ATOM 0 HD13 LEU A 593 -1.055 15.866 4.064 1.00 62.30 H new ATOM 0 HD21 LEU A 593 -0.040 14.307 1.591 1.00 3.20 H new ATOM 0 HD22 LEU A 593 -1.608 15.147 1.634 1.00 3.20 H new ATOM 0 HD23 LEU A 593 -0.429 15.529 0.357 1.00 3.20 H new ATOM 230 N ASN A 594 -3.745 19.356 3.067 1.00 42.22 N ATOM 231 CA ASN A 594 -4.387 20.633 3.277 1.00 1.50 C ATOM 232 C ASN A 594 -4.503 20.897 4.748 1.00 70.54 C ATOM 233 O ASN A 594 -3.761 21.711 5.306 1.00 34.03 O ATOM 234 CB ASN A 594 -5.782 20.650 2.625 1.00 24.44 C ATOM 235 CG ASN A 594 -6.484 22.000 2.740 1.00 63.25 C ATOM 236 OD1 ASN A 594 -7.187 22.267 3.709 1.00 12.31 O ATOM 237 ND2 ASN A 594 -6.315 22.838 1.747 1.00 72.32 N ATOM 0 H ASN A 594 -4.314 18.557 3.347 1.00 42.22 H new ATOM 0 HA ASN A 594 -3.783 21.414 2.815 1.00 1.50 H new ATOM 0 HB2 ASN A 594 -5.687 20.386 1.572 1.00 24.44 H new ATOM 0 HB3 ASN A 594 -6.403 19.884 3.091 1.00 24.44 H new ATOM 0 HD21 ASN A 594 -6.776 23.748 1.763 1.00 72.32 H new ATOM 0 HD22 ASN A 594 -5.722 22.581 0.958 1.00 72.32 H new ATOM 244 N ASP A 595 -5.397 20.186 5.389 1.00 35.41 N ATOM 245 CA ASP A 595 -5.588 20.329 6.801 1.00 64.32 C ATOM 246 C ASP A 595 -4.781 19.262 7.480 1.00 24.10 C ATOM 247 O ASP A 595 -5.273 18.185 7.838 1.00 2.15 O ATOM 248 CB ASP A 595 -7.068 20.272 7.181 1.00 22.31 C ATOM 249 CG ASP A 595 -7.314 20.556 8.644 1.00 73.45 C ATOM 250 OD1 ASP A 595 -7.410 21.735 9.023 1.00 32.40 O ATOM 251 OD2 ASP A 595 -7.458 19.610 9.428 1.00 11.30 O ATOM 0 H ASP A 595 -6.006 19.498 4.946 1.00 35.41 H new ATOM 0 HA ASP A 595 -5.245 21.310 7.130 1.00 64.32 H new ATOM 0 HB2 ASP A 595 -7.620 20.994 6.579 1.00 22.31 H new ATOM 0 HB3 ASP A 595 -7.462 19.286 6.937 1.00 22.31 H new ATOM 256 N SER A 596 -3.521 19.528 7.529 1.00 52.43 N ATOM 257 CA SER A 596 -2.551 18.632 8.040 1.00 53.22 C ATOM 258 C SER A 596 -1.387 19.424 8.545 1.00 62.45 C ATOM 259 O SER A 596 -0.666 20.073 7.764 1.00 22.13 O ATOM 260 CB SER A 596 -2.126 17.691 6.915 1.00 21.43 C ATOM 261 OG SER A 596 -1.686 18.425 5.766 1.00 4.34 O ATOM 0 H SER A 596 -3.127 20.410 7.201 1.00 52.43 H new ATOM 0 HA SER A 596 -2.953 18.041 8.863 1.00 53.22 H new ATOM 0 HB2 SER A 596 -1.324 17.041 7.264 1.00 21.43 H new ATOM 0 HB3 SER A 596 -2.961 17.047 6.641 1.00 21.43 H new ATOM 0 HG SER A 596 -1.184 19.216 6.055 1.00 4.34 H new ATOM 267 N GLY A 597 -1.239 19.433 9.818 1.00 0.24 N ATOM 268 CA GLY A 597 -0.162 20.136 10.413 1.00 70.04 C ATOM 269 C GLY A 597 0.337 19.412 11.618 1.00 63.20 C ATOM 270 O GLY A 597 1.529 19.409 11.903 1.00 12.24 O ATOM 0 H GLY A 597 -1.857 18.956 10.475 1.00 0.24 H new ATOM 0 HA2 GLY A 597 0.646 20.252 9.691 1.00 70.04 H new ATOM 0 HA3 GLY A 597 -0.486 21.139 10.693 1.00 70.04 H new ATOM 274 N SER A 598 -0.569 18.786 12.339 1.00 52.42 N ATOM 275 CA SER A 598 -0.182 17.983 13.467 1.00 22.30 C ATOM 276 C SER A 598 0.149 16.572 13.011 1.00 4.43 C ATOM 277 O SER A 598 0.834 15.809 13.710 1.00 64.13 O ATOM 278 CB SER A 598 -1.249 18.019 14.567 1.00 4.23 C ATOM 279 OG SER A 598 -2.531 17.662 14.061 1.00 71.40 O ATOM 0 H SER A 598 -1.573 18.821 12.161 1.00 52.42 H new ATOM 0 HA SER A 598 0.721 18.402 13.911 1.00 22.30 H new ATOM 0 HB2 SER A 598 -0.970 17.336 15.369 1.00 4.23 H new ATOM 0 HB3 SER A 598 -1.293 19.018 15.000 1.00 4.23 H new ATOM 0 HG SER A 598 -3.189 17.693 14.786 1.00 71.40 H new ATOM 285 N ALA A 599 -0.317 16.249 11.830 1.00 32.12 N ATOM 286 CA ALA A 599 -0.068 15.014 11.205 1.00 60.44 C ATOM 287 C ALA A 599 -0.105 15.260 9.720 1.00 51.10 C ATOM 288 O ALA A 599 -0.366 16.385 9.288 1.00 31.44 O ATOM 289 CB ALA A 599 -1.116 13.988 11.611 1.00 45.41 C ATOM 0 H ALA A 599 -0.899 16.875 11.274 1.00 32.12 H new ATOM 0 HA ALA A 599 0.901 14.614 11.504 1.00 60.44 H new ATOM 0 HB1 ALA A 599 -0.907 13.039 11.117 1.00 45.41 H new ATOM 0 HB2 ALA A 599 -1.089 13.849 12.692 1.00 45.41 H new ATOM 0 HB3 ALA A 599 -2.104 14.341 11.315 1.00 45.41 H new ATOM 295 N GLY A 600 0.144 14.254 8.964 1.00 21.13 N ATOM 296 CA GLY A 600 0.116 14.365 7.530 1.00 43.51 C ATOM 297 C GLY A 600 -1.255 14.049 7.027 1.00 44.44 C ATOM 298 O GLY A 600 -1.833 14.787 6.252 1.00 52.43 O ATOM 0 H GLY A 600 0.375 13.323 9.311 1.00 21.13 H new ATOM 0 HA2 GLY A 600 0.401 15.373 7.228 1.00 43.51 H new ATOM 0 HA3 GLY A 600 0.842 13.682 7.089 1.00 43.51 H new ATOM 302 N LEU A 601 -1.771 12.943 7.461 1.00 72.00 N ATOM 303 CA LEU A 601 -3.129 12.578 7.150 1.00 75.43 C ATOM 304 C LEU A 601 -3.928 12.585 8.418 1.00 63.21 C ATOM 305 O LEU A 601 -5.099 13.007 8.448 1.00 43.13 O ATOM 306 CB LEU A 601 -3.222 11.184 6.518 1.00 34.44 C ATOM 307 CG LEU A 601 -2.651 10.976 5.112 1.00 10.05 C ATOM 308 CD1 LEU A 601 -1.149 11.159 5.055 1.00 40.35 C ATOM 309 CD2 LEU A 601 -3.024 9.612 4.631 1.00 71.34 C ATOM 0 H LEU A 601 -1.272 12.266 8.038 1.00 72.00 H new ATOM 0 HA LEU A 601 -3.516 13.299 6.430 1.00 75.43 H new ATOM 0 HB2 LEU A 601 -2.720 10.484 7.186 1.00 34.44 H new ATOM 0 HB3 LEU A 601 -4.275 10.902 6.493 1.00 34.44 H new ATOM 0 HG LEU A 601 -3.080 11.739 4.463 1.00 10.05 H new ATOM 0 HD11 LEU A 601 -0.801 10.999 4.034 1.00 40.35 H new ATOM 0 HD12 LEU A 601 -0.893 12.170 5.371 1.00 40.35 H new ATOM 0 HD13 LEU A 601 -0.669 10.439 5.718 1.00 40.35 H new ATOM 0 HD21 LEU A 601 -2.621 9.456 3.630 1.00 71.34 H new ATOM 0 HD22 LEU A 601 -2.614 8.863 5.308 1.00 71.34 H new ATOM 0 HD23 LEU A 601 -4.110 9.520 4.603 1.00 71.34 H new ATOM 321 N GLY A 602 -3.293 12.110 9.455 1.00 34.33 N ATOM 322 CA GLY A 602 -3.881 12.014 10.714 1.00 61.52 C ATOM 323 C GLY A 602 -4.470 10.664 10.884 1.00 1.52 C ATOM 324 O GLY A 602 -5.632 10.520 11.233 1.00 60.31 O ATOM 0 H GLY A 602 -2.329 11.777 9.421 1.00 34.33 H new ATOM 0 HA2 GLY A 602 -3.137 12.198 11.489 1.00 61.52 H new ATOM 0 HA3 GLY A 602 -4.653 12.776 10.826 1.00 61.52 H new ATOM 328 N VAL A 603 -3.695 9.655 10.572 1.00 73.34 N ATOM 329 CA VAL A 603 -4.115 8.303 10.781 1.00 2.32 C ATOM 330 C VAL A 603 -2.982 7.573 11.463 1.00 74.20 C ATOM 331 O VAL A 603 -1.822 7.947 11.321 1.00 43.20 O ATOM 332 CB VAL A 603 -4.416 7.569 9.428 1.00 3.11 C ATOM 333 CG1 VAL A 603 -5.065 6.224 9.655 1.00 20.50 C ATOM 334 CG2 VAL A 603 -5.239 8.415 8.490 1.00 20.04 C ATOM 0 H VAL A 603 -2.763 9.752 10.169 1.00 73.34 H new ATOM 0 HA VAL A 603 -5.027 8.310 11.378 1.00 2.32 H new ATOM 0 HB VAL A 603 -3.453 7.398 8.948 1.00 3.11 H new ATOM 0 HG11 VAL A 603 -5.258 5.746 8.694 1.00 20.50 H new ATOM 0 HG12 VAL A 603 -4.400 5.594 10.246 1.00 20.50 H new ATOM 0 HG13 VAL A 603 -6.006 6.359 10.188 1.00 20.50 H new ATOM 0 HG21 VAL A 603 -5.421 7.864 7.568 1.00 20.04 H new ATOM 0 HG22 VAL A 603 -6.191 8.659 8.961 1.00 20.04 H new ATOM 0 HG23 VAL A 603 -4.700 9.335 8.262 1.00 20.04 H new ATOM 344 N SER A 604 -3.300 6.578 12.206 1.00 34.13 N ATOM 345 CA SER A 604 -2.317 5.742 12.763 1.00 5.52 C ATOM 346 C SER A 604 -2.509 4.370 12.182 1.00 32.15 C ATOM 347 O SER A 604 -3.645 3.859 12.117 1.00 51.34 O ATOM 348 CB SER A 604 -2.436 5.708 14.284 1.00 43.24 C ATOM 349 OG SER A 604 -2.378 7.022 14.808 1.00 74.21 O ATOM 0 H SER A 604 -4.259 6.323 12.443 1.00 34.13 H new ATOM 0 HA SER A 604 -1.321 6.117 12.528 1.00 5.52 H new ATOM 0 HB2 SER A 604 -3.375 5.235 14.572 1.00 43.24 H new ATOM 0 HB3 SER A 604 -1.632 5.105 14.706 1.00 43.24 H new ATOM 0 HG SER A 604 -2.457 6.989 15.784 1.00 74.21 H new ATOM 355 N VAL A 605 -1.455 3.800 11.724 1.00 3.22 N ATOM 356 CA VAL A 605 -1.474 2.480 11.200 1.00 72.20 C ATOM 357 C VAL A 605 -0.477 1.613 11.887 1.00 34.01 C ATOM 358 O VAL A 605 0.502 2.080 12.422 1.00 42.40 O ATOM 359 CB VAL A 605 -1.217 2.394 9.694 1.00 21.43 C ATOM 360 CG1 VAL A 605 -2.446 2.757 8.888 1.00 14.35 C ATOM 361 CG2 VAL A 605 -0.042 3.264 9.266 1.00 10.23 C ATOM 0 H VAL A 605 -0.537 4.244 11.701 1.00 3.22 H new ATOM 0 HA VAL A 605 -2.491 2.132 11.384 1.00 72.20 H new ATOM 0 HB VAL A 605 -0.967 1.353 9.489 1.00 21.43 H new ATOM 0 HG11 VAL A 605 -2.219 2.683 7.825 1.00 14.35 H new ATOM 0 HG12 VAL A 605 -3.258 2.073 9.134 1.00 14.35 H new ATOM 0 HG13 VAL A 605 -2.748 3.778 9.124 1.00 14.35 H new ATOM 0 HG21 VAL A 605 0.105 3.173 8.190 1.00 10.23 H new ATOM 0 HG22 VAL A 605 -0.249 4.304 9.517 1.00 10.23 H new ATOM 0 HG23 VAL A 605 0.860 2.938 9.784 1.00 10.23 H new ATOM 371 N LYS A 606 -0.752 0.375 11.895 1.00 22.23 N ATOM 372 CA LYS A 606 0.119 -0.616 12.481 1.00 15.12 C ATOM 373 C LYS A 606 -0.066 -1.903 11.751 1.00 43.43 C ATOM 374 O LYS A 606 -1.111 -2.119 11.147 1.00 3.44 O ATOM 375 CB LYS A 606 -0.077 -0.811 13.988 1.00 15.13 C ATOM 376 CG LYS A 606 -1.377 -1.459 14.398 1.00 21.34 C ATOM 377 CD LYS A 606 -1.383 -1.683 15.887 1.00 50.11 C ATOM 378 CE LYS A 606 -2.622 -2.403 16.342 1.00 34.21 C ATOM 379 NZ LYS A 606 -2.611 -2.611 17.798 1.00 23.24 N ATOM 0 H LYS A 606 -1.604 -0.013 11.490 1.00 22.23 H new ATOM 0 HA LYS A 606 1.141 -0.253 12.376 1.00 15.12 H new ATOM 0 HB2 LYS A 606 0.746 -1.417 14.368 1.00 15.13 H new ATOM 0 HB3 LYS A 606 -0.008 0.162 14.474 1.00 15.13 H new ATOM 0 HG2 LYS A 606 -2.217 -0.825 14.112 1.00 21.34 H new ATOM 0 HG3 LYS A 606 -1.502 -2.408 13.877 1.00 21.34 H new ATOM 0 HD2 LYS A 606 -0.503 -2.260 16.171 1.00 50.11 H new ATOM 0 HD3 LYS A 606 -1.313 -0.723 16.399 1.00 50.11 H new ATOM 0 HE2 LYS A 606 -3.504 -1.828 16.061 1.00 34.21 H new ATOM 0 HE3 LYS A 606 -2.694 -3.365 15.835 1.00 34.21 H new ATOM 0 HZ1 LYS A 606 -3.478 -3.110 18.084 1.00 23.24 H new ATOM 0 HZ2 LYS A 606 -1.781 -3.180 18.061 1.00 23.24 H new ATOM 0 HZ3 LYS A 606 -2.566 -1.690 18.280 1.00 23.24 H new ATOM 393 N GLY A 607 0.901 -2.743 11.769 1.00 41.44 N ATOM 394 CA GLY A 607 0.756 -3.964 11.061 1.00 55.34 C ATOM 395 C GLY A 607 0.455 -5.079 11.987 1.00 74.12 C ATOM 396 O GLY A 607 1.141 -5.272 12.981 1.00 30.11 O ATOM 0 H GLY A 607 1.788 -2.614 12.256 1.00 41.44 H new ATOM 0 HA2 GLY A 607 -0.044 -3.870 10.326 1.00 55.34 H new ATOM 0 HA3 GLY A 607 1.671 -4.180 10.510 1.00 55.34 H new ATOM 400 N ASN A 608 -0.588 -5.802 11.679 1.00 24.24 N ATOM 401 CA ASN A 608 -0.999 -6.899 12.503 1.00 73.15 C ATOM 402 C ASN A 608 -0.362 -8.123 11.924 1.00 65.14 C ATOM 403 O ASN A 608 -0.523 -8.429 10.746 1.00 44.04 O ATOM 404 CB ASN A 608 -2.543 -7.025 12.527 1.00 40.31 C ATOM 405 CG ASN A 608 -3.112 -8.015 13.582 1.00 32.44 C ATOM 406 OD1 ASN A 608 -4.205 -7.802 14.099 1.00 24.34 O ATOM 407 ND2 ASN A 608 -2.410 -9.082 13.895 1.00 52.23 N ATOM 0 H ASN A 608 -1.170 -5.647 10.856 1.00 24.24 H new ATOM 0 HA ASN A 608 -0.689 -6.753 13.538 1.00 73.15 H new ATOM 0 HB2 ASN A 608 -2.969 -6.039 12.712 1.00 40.31 H new ATOM 0 HB3 ASN A 608 -2.881 -7.338 11.539 1.00 40.31 H new ATOM 0 HD21 ASN A 608 -2.772 -9.748 14.577 1.00 52.23 H new ATOM 0 HD22 ASN A 608 -1.504 -9.243 13.456 1.00 52.23 H new ATOM 414 N ARG A 609 0.374 -8.786 12.726 1.00 24.10 N ATOM 415 CA ARG A 609 1.128 -9.905 12.317 1.00 52.55 C ATOM 416 C ARG A 609 0.605 -11.123 13.041 1.00 74.31 C ATOM 417 O ARG A 609 0.181 -11.024 14.201 1.00 72.13 O ATOM 418 CB ARG A 609 2.570 -9.623 12.712 1.00 70.23 C ATOM 419 CG ARG A 609 3.622 -10.567 12.189 1.00 13.30 C ATOM 420 CD ARG A 609 4.984 -10.126 12.705 1.00 21.40 C ATOM 421 NE ARG A 609 5.247 -8.699 12.397 1.00 54.32 N ATOM 422 CZ ARG A 609 5.971 -7.862 13.174 1.00 0.23 C ATOM 423 NH1 ARG A 609 6.571 -8.315 14.264 1.00 11.32 N ATOM 424 NH2 ARG A 609 6.089 -6.578 12.847 1.00 52.21 N ATOM 0 H ARG A 609 0.473 -8.560 13.716 1.00 24.10 H new ATOM 0 HA ARG A 609 1.058 -10.085 11.244 1.00 52.55 H new ATOM 0 HB2 ARG A 609 2.822 -8.617 12.377 1.00 70.23 H new ATOM 0 HB3 ARG A 609 2.628 -9.621 13.800 1.00 70.23 H new ATOM 0 HG2 ARG A 609 3.408 -11.586 12.513 1.00 13.30 H new ATOM 0 HG3 ARG A 609 3.616 -10.571 11.099 1.00 13.30 H new ATOM 0 HD2 ARG A 609 5.034 -10.282 13.783 1.00 21.40 H new ATOM 0 HD3 ARG A 609 5.762 -10.745 12.257 1.00 21.40 H new ATOM 0 HE ARG A 609 4.853 -8.321 11.536 1.00 54.32 H new ATOM 0 HH11 ARG A 609 6.488 -9.299 14.520 1.00 11.32 H new ATOM 0 HH12 ARG A 609 7.116 -7.680 14.847 1.00 11.32 H new ATOM 0 HH21 ARG A 609 5.632 -6.221 12.007 1.00 52.21 H new ATOM 0 HH22 ARG A 609 6.636 -5.950 13.436 1.00 52.21 H new ATOM 438 N SER A 610 0.568 -12.233 12.361 1.00 73.13 N ATOM 439 CA SER A 610 0.199 -13.476 12.981 1.00 73.43 C ATOM 440 C SER A 610 1.295 -13.850 13.971 1.00 22.53 C ATOM 441 O SER A 610 2.444 -14.045 13.582 1.00 15.34 O ATOM 442 CB SER A 610 0.022 -14.550 11.920 1.00 13.41 C ATOM 443 OG SER A 610 -0.950 -14.148 10.979 1.00 15.20 O ATOM 0 H SER A 610 0.791 -12.304 11.368 1.00 73.13 H new ATOM 0 HA SER A 610 -0.749 -13.380 13.510 1.00 73.43 H new ATOM 0 HB2 SER A 610 0.971 -14.735 11.417 1.00 13.41 H new ATOM 0 HB3 SER A 610 -0.279 -15.487 12.387 1.00 13.41 H new ATOM 0 HG SER A 610 -1.055 -14.846 10.299 1.00 15.20 H new ATOM 518 N ALA A 615 3.594 -14.503 9.952 1.00 61.35 N ATOM 519 CA ALA A 615 3.240 -13.908 8.684 1.00 42.14 C ATOM 520 C ALA A 615 2.424 -12.685 8.958 1.00 42.31 C ATOM 521 O ALA A 615 1.683 -12.647 9.937 1.00 73.11 O ATOM 522 CB ALA A 615 2.457 -14.875 7.823 1.00 53.23 C ATOM 0 HA ALA A 615 4.147 -13.649 8.138 1.00 42.14 H new ATOM 0 HB1 ALA A 615 2.206 -14.398 6.876 1.00 53.23 H new ATOM 0 HB2 ALA A 615 3.060 -15.763 7.633 1.00 53.23 H new ATOM 0 HB3 ALA A 615 1.541 -15.162 8.339 1.00 53.23 H new ATOM 528 N ASP A 616 2.555 -11.693 8.145 1.00 1.12 N ATOM 529 CA ASP A 616 1.818 -10.474 8.356 1.00 4.22 C ATOM 530 C ASP A 616 0.423 -10.602 7.803 1.00 24.54 C ATOM 531 O ASP A 616 0.188 -11.320 6.832 1.00 4.41 O ATOM 532 CB ASP A 616 2.506 -9.272 7.706 1.00 64.05 C ATOM 533 CG ASP A 616 2.490 -9.321 6.180 1.00 21.44 C ATOM 534 OD1 ASP A 616 3.326 -10.037 5.591 1.00 32.11 O ATOM 535 OD2 ASP A 616 1.643 -8.638 5.564 1.00 2.41 O ATOM 0 H ASP A 616 3.163 -11.693 7.326 1.00 1.12 H new ATOM 0 HA ASP A 616 1.778 -10.307 9.432 1.00 4.22 H new ATOM 0 HB2 ASP A 616 2.015 -8.357 8.039 1.00 64.05 H new ATOM 0 HB3 ASP A 616 3.539 -9.223 8.050 1.00 64.05 H new ATOM 540 N LEU A 617 -0.497 -9.930 8.438 1.00 5.55 N ATOM 541 CA LEU A 617 -1.855 -9.856 7.961 1.00 3.10 C ATOM 542 C LEU A 617 -1.986 -8.568 7.165 1.00 60.52 C ATOM 543 O LEU A 617 -3.003 -8.305 6.521 1.00 21.21 O ATOM 544 CB LEU A 617 -2.841 -9.850 9.144 1.00 52.44 C ATOM 545 CG LEU A 617 -2.795 -11.055 10.092 1.00 43.45 C ATOM 546 CD1 LEU A 617 -3.831 -10.898 11.193 1.00 23.24 C ATOM 547 CD2 LEU A 617 -3.021 -12.353 9.330 1.00 64.13 C ATOM 0 H LEU A 617 -0.328 -9.416 9.303 1.00 5.55 H new ATOM 0 HA LEU A 617 -2.088 -10.720 7.339 1.00 3.10 H new ATOM 0 HB2 LEU A 617 -2.661 -8.949 9.731 1.00 52.44 H new ATOM 0 HB3 LEU A 617 -3.852 -9.772 8.743 1.00 52.44 H new ATOM 0 HG LEU A 617 -1.805 -11.097 10.546 1.00 43.45 H new ATOM 0 HD11 LEU A 617 -3.788 -11.760 11.859 1.00 23.24 H new ATOM 0 HD12 LEU A 617 -3.624 -9.991 11.760 1.00 23.24 H new ATOM 0 HD13 LEU A 617 -4.825 -10.831 10.751 1.00 23.24 H new ATOM 0 HD21 LEU A 617 -2.984 -13.193 10.023 1.00 64.13 H new ATOM 0 HD22 LEU A 617 -3.997 -12.325 8.845 1.00 64.13 H new ATOM 0 HD23 LEU A 617 -2.244 -12.471 8.575 1.00 64.13 H new ATOM 559 N GLY A 618 -0.929 -7.778 7.232 1.00 60.52 N ATOM 560 CA GLY A 618 -0.845 -6.518 6.529 1.00 21.22 C ATOM 561 C GLY A 618 -0.823 -5.342 7.472 1.00 43.40 C ATOM 562 O GLY A 618 -0.811 -5.523 8.703 1.00 63.12 O ATOM 0 H GLY A 618 -0.099 -7.999 7.782 1.00 60.52 H new ATOM 0 HA2 GLY A 618 0.055 -6.506 5.914 1.00 21.22 H new ATOM 0 HA3 GLY A 618 -1.694 -6.424 5.852 1.00 21.22 H new ATOM 566 N ILE A 619 -0.780 -4.151 6.913 1.00 52.55 N ATOM 567 CA ILE A 619 -0.825 -2.938 7.688 1.00 24.40 C ATOM 568 C ILE A 619 -2.274 -2.511 7.799 1.00 60.23 C ATOM 569 O ILE A 619 -2.959 -2.367 6.786 1.00 35.41 O ATOM 570 CB ILE A 619 -0.010 -1.796 7.006 1.00 20.35 C ATOM 571 CG1 ILE A 619 1.464 -2.200 6.806 1.00 73.15 C ATOM 572 CG2 ILE A 619 -0.097 -0.499 7.810 1.00 12.52 C ATOM 573 CD1 ILE A 619 2.228 -2.502 8.086 1.00 45.01 C ATOM 0 H ILE A 619 -0.713 -4.001 5.906 1.00 52.55 H new ATOM 0 HA ILE A 619 -0.387 -3.125 8.669 1.00 24.40 H new ATOM 0 HB ILE A 619 -0.454 -1.625 6.025 1.00 20.35 H new ATOM 0 HG12 ILE A 619 1.500 -3.080 6.163 1.00 73.15 H new ATOM 0 HG13 ILE A 619 1.976 -1.397 6.276 1.00 73.15 H new ATOM 0 HG21 ILE A 619 0.481 0.278 7.310 1.00 12.52 H new ATOM 0 HG22 ILE A 619 -1.138 -0.186 7.884 1.00 12.52 H new ATOM 0 HG23 ILE A 619 0.305 -0.663 8.810 1.00 12.52 H new ATOM 0 HD11 ILE A 619 3.254 -2.776 7.841 1.00 45.01 H new ATOM 0 HD12 ILE A 619 2.231 -1.619 8.725 1.00 45.01 H new ATOM 0 HD13 ILE A 619 1.747 -3.328 8.611 1.00 45.01 H new ATOM 585 N PHE A 620 -2.733 -2.307 9.001 1.00 33.35 N ATOM 586 CA PHE A 620 -4.100 -1.942 9.230 1.00 31.32 C ATOM 587 C PHE A 620 -4.206 -0.605 9.897 1.00 33.31 C ATOM 588 O PHE A 620 -3.322 -0.194 10.674 1.00 62.22 O ATOM 589 CB PHE A 620 -4.829 -2.975 10.098 1.00 21.32 C ATOM 590 CG PHE A 620 -4.978 -4.338 9.494 1.00 51.23 C ATOM 591 CD1 PHE A 620 -4.016 -5.300 9.692 1.00 1.41 C ATOM 592 CD2 PHE A 620 -6.101 -4.660 8.747 1.00 10.23 C ATOM 593 CE1 PHE A 620 -4.165 -6.556 9.159 1.00 33.01 C ATOM 594 CE2 PHE A 620 -6.252 -5.917 8.208 1.00 63.01 C ATOM 595 CZ PHE A 620 -5.283 -6.868 8.416 1.00 32.23 C ATOM 0 H PHE A 620 -2.170 -2.389 9.848 1.00 33.35 H new ATOM 0 HA PHE A 620 -4.570 -1.901 8.248 1.00 31.32 H new ATOM 0 HB2 PHE A 620 -4.294 -3.072 11.042 1.00 21.32 H new ATOM 0 HB3 PHE A 620 -5.822 -2.591 10.332 1.00 21.32 H new ATOM 0 HD1 PHE A 620 -3.136 -5.065 10.272 1.00 1.41 H new ATOM 0 HD2 PHE A 620 -6.866 -3.915 8.586 1.00 10.23 H new ATOM 0 HE1 PHE A 620 -3.403 -7.303 9.323 1.00 33.01 H new ATOM 0 HE2 PHE A 620 -7.129 -6.155 7.624 1.00 63.01 H new ATOM 0 HZ PHE A 620 -5.397 -7.857 7.998 1.00 32.23 H new ATOM 605 N VAL A 621 -5.264 0.087 9.580 1.00 21.02 N ATOM 606 CA VAL A 621 -5.596 1.300 10.249 1.00 24.25 C ATOM 607 C VAL A 621 -6.089 0.951 11.623 1.00 21.33 C ATOM 608 O VAL A 621 -7.089 0.265 11.779 1.00 24.21 O ATOM 609 CB VAL A 621 -6.695 2.090 9.508 1.00 15.01 C ATOM 610 CG1 VAL A 621 -7.028 3.359 10.247 1.00 41.31 C ATOM 611 CG2 VAL A 621 -6.266 2.408 8.107 1.00 23.55 C ATOM 0 H VAL A 621 -5.919 -0.181 8.846 1.00 21.02 H new ATOM 0 HA VAL A 621 -4.707 1.930 10.287 1.00 24.25 H new ATOM 0 HB VAL A 621 -7.588 1.466 9.466 1.00 15.01 H new ATOM 0 HG11 VAL A 621 -7.805 3.901 9.708 1.00 41.31 H new ATOM 0 HG12 VAL A 621 -7.384 3.114 11.248 1.00 41.31 H new ATOM 0 HG13 VAL A 621 -6.136 3.981 10.321 1.00 41.31 H new ATOM 0 HG21 VAL A 621 -7.055 2.965 7.602 1.00 23.55 H new ATOM 0 HG22 VAL A 621 -5.357 3.009 8.132 1.00 23.55 H new ATOM 0 HG23 VAL A 621 -6.073 1.481 7.566 1.00 23.55 H new ATOM 621 N LYS A 622 -5.398 1.410 12.589 1.00 20.22 N ATOM 622 CA LYS A 622 -5.728 1.143 13.960 1.00 45.34 C ATOM 623 C LYS A 622 -6.583 2.238 14.534 1.00 3.35 C ATOM 624 O LYS A 622 -7.579 1.982 15.204 1.00 52.11 O ATOM 625 CB LYS A 622 -4.438 0.987 14.774 1.00 14.25 C ATOM 626 CG LYS A 622 -3.403 2.038 14.425 1.00 64.13 C ATOM 627 CD LYS A 622 -2.146 1.990 15.249 1.00 13.10 C ATOM 628 CE LYS A 622 -2.290 2.690 16.627 1.00 14.33 C ATOM 629 NZ LYS A 622 -3.336 2.116 17.519 1.00 32.34 N ATOM 0 H LYS A 622 -4.570 1.993 12.465 1.00 20.22 H new ATOM 0 HA LYS A 622 -6.301 0.217 14.008 1.00 45.34 H new ATOM 0 HB2 LYS A 622 -4.672 1.051 15.837 1.00 14.25 H new ATOM 0 HB3 LYS A 622 -4.019 -0.004 14.599 1.00 14.25 H new ATOM 0 HG2 LYS A 622 -3.135 1.928 13.374 1.00 64.13 H new ATOM 0 HG3 LYS A 622 -3.856 3.023 14.537 1.00 64.13 H new ATOM 0 HD2 LYS A 622 -1.862 0.949 15.405 1.00 13.10 H new ATOM 0 HD3 LYS A 622 -1.336 2.462 14.692 1.00 13.10 H new ATOM 0 HE2 LYS A 622 -1.330 2.646 17.142 1.00 14.33 H new ATOM 0 HE3 LYS A 622 -2.514 3.744 16.461 1.00 14.33 H new ATOM 0 HZ1 LYS A 622 -3.127 2.368 18.506 1.00 32.34 H new ATOM 0 HZ2 LYS A 622 -4.266 2.498 17.254 1.00 32.34 H new ATOM 0 HZ3 LYS A 622 -3.346 1.081 17.421 1.00 32.34 H new ATOM 643 N SER A 623 -6.206 3.453 14.258 1.00 11.21 N ATOM 644 CA SER A 623 -6.851 4.583 14.837 1.00 40.31 C ATOM 645 C SER A 623 -6.799 5.742 13.865 1.00 20.42 C ATOM 646 O SER A 623 -5.768 5.966 13.226 1.00 52.34 O ATOM 647 CB SER A 623 -6.093 4.972 16.115 1.00 65.01 C ATOM 648 OG SER A 623 -5.920 3.846 16.993 1.00 61.13 O ATOM 0 H SER A 623 -5.441 3.683 13.624 1.00 11.21 H new ATOM 0 HA SER A 623 -7.889 4.344 15.066 1.00 40.31 H new ATOM 0 HB2 SER A 623 -5.118 5.380 15.850 1.00 65.01 H new ATOM 0 HB3 SER A 623 -6.637 5.760 16.636 1.00 65.01 H new ATOM 0 HG SER A 623 -5.433 4.128 17.795 1.00 61.13 H new ATOM 654 N ILE A 624 -7.886 6.439 13.708 1.00 20.22 N ATOM 655 CA ILE A 624 -7.874 7.643 12.938 1.00 33.10 C ATOM 656 C ILE A 624 -7.659 8.784 13.884 1.00 62.23 C ATOM 657 O ILE A 624 -8.252 8.817 14.966 1.00 60.51 O ATOM 658 CB ILE A 624 -9.192 7.873 12.107 1.00 31.24 C ATOM 659 CG1 ILE A 624 -9.331 6.882 10.959 1.00 30.11 C ATOM 660 CG2 ILE A 624 -9.270 9.282 11.558 1.00 24.11 C ATOM 661 CD1 ILE A 624 -9.519 5.449 11.350 1.00 4.44 C ATOM 0 H ILE A 624 -8.793 6.192 14.105 1.00 20.22 H new ATOM 0 HA ILE A 624 -7.072 7.568 12.203 1.00 33.10 H new ATOM 0 HB ILE A 624 -10.014 7.714 12.805 1.00 31.24 H new ATOM 0 HG12 ILE A 624 -10.179 7.185 10.344 1.00 30.11 H new ATOM 0 HG13 ILE A 624 -8.441 6.954 10.333 1.00 30.11 H new ATOM 0 HG21 ILE A 624 -10.193 9.401 10.991 1.00 24.11 H new ATOM 0 HG22 ILE A 624 -9.256 9.995 12.382 1.00 24.11 H new ATOM 0 HG23 ILE A 624 -8.417 9.466 10.905 1.00 24.11 H new ATOM 0 HD11 ILE A 624 -9.606 4.836 10.453 1.00 4.44 H new ATOM 0 HD12 ILE A 624 -8.662 5.116 11.935 1.00 4.44 H new ATOM 0 HD13 ILE A 624 -10.426 5.351 11.947 1.00 4.44 H new ATOM 673 N ILE A 625 -6.809 9.689 13.524 1.00 43.10 N ATOM 674 CA ILE A 625 -6.587 10.829 14.342 1.00 14.52 C ATOM 675 C ILE A 625 -7.659 11.838 14.000 1.00 72.21 C ATOM 676 O ILE A 625 -7.686 12.405 12.891 1.00 20.03 O ATOM 677 CB ILE A 625 -5.164 11.415 14.134 1.00 55.32 C ATOM 678 CG1 ILE A 625 -4.120 10.352 14.505 1.00 25.40 C ATOM 679 CG2 ILE A 625 -4.972 12.664 14.984 1.00 23.12 C ATOM 680 CD1 ILE A 625 -2.693 10.785 14.289 1.00 14.14 C ATOM 0 H ILE A 625 -6.257 9.658 12.667 1.00 43.10 H new ATOM 0 HA ILE A 625 -6.644 10.556 15.396 1.00 14.52 H new ATOM 0 HB ILE A 625 -5.040 11.695 13.088 1.00 55.32 H new ATOM 0 HG12 ILE A 625 -4.251 10.081 15.553 1.00 25.40 H new ATOM 0 HG13 ILE A 625 -4.308 9.454 13.917 1.00 25.40 H new ATOM 0 HG21 ILE A 625 -3.969 13.061 14.826 1.00 23.12 H new ATOM 0 HG22 ILE A 625 -5.709 13.415 14.699 1.00 23.12 H new ATOM 0 HG23 ILE A 625 -5.100 12.411 16.036 1.00 23.12 H new ATOM 0 HD11 ILE A 625 -2.020 9.977 14.575 1.00 14.14 H new ATOM 0 HD12 ILE A 625 -2.542 11.028 13.237 1.00 14.14 H new ATOM 0 HD13 ILE A 625 -2.483 11.664 14.898 1.00 14.14 H new ATOM 692 N ASN A 626 -8.538 12.053 14.942 1.00 74.15 N ATOM 693 CA ASN A 626 -9.688 12.893 14.748 1.00 3.12 C ATOM 694 C ASN A 626 -9.277 14.334 14.613 1.00 51.40 C ATOM 695 O ASN A 626 -8.820 14.968 15.574 1.00 13.34 O ATOM 696 CB ASN A 626 -10.711 12.680 15.875 1.00 54.44 C ATOM 697 CG ASN A 626 -11.972 13.511 15.714 1.00 43.22 C ATOM 698 OD1 ASN A 626 -12.079 14.617 16.243 1.00 64.23 O ATOM 699 ND2 ASN A 626 -12.927 12.997 14.977 1.00 32.24 N ATOM 0 H ASN A 626 -8.475 11.645 15.875 1.00 74.15 H new ATOM 0 HA ASN A 626 -10.177 12.612 13.815 1.00 3.12 H new ATOM 0 HB2 ASN A 626 -10.983 11.625 15.913 1.00 54.44 H new ATOM 0 HB3 ASN A 626 -10.244 12.924 16.829 1.00 54.44 H new ATOM 0 HD21 ASN A 626 -13.792 13.517 14.828 1.00 32.24 H new ATOM 0 HD22 ASN A 626 -12.805 12.077 14.553 1.00 32.24 H new ATOM 706 N GLY A 627 -9.396 14.836 13.415 1.00 10.23 N ATOM 707 CA GLY A 627 -9.012 16.186 13.134 1.00 44.25 C ATOM 708 C GLY A 627 -8.133 16.263 11.921 1.00 0.33 C ATOM 709 O GLY A 627 -7.952 17.329 11.355 1.00 60.25 O ATOM 0 H GLY A 627 -9.760 14.322 12.612 1.00 10.23 H new ATOM 0 HA2 GLY A 627 -9.903 16.795 12.979 1.00 44.25 H new ATOM 0 HA3 GLY A 627 -8.487 16.603 13.993 1.00 44.25 H new ATOM 713 N GLY A 628 -7.581 15.129 11.520 1.00 72.23 N ATOM 714 CA GLY A 628 -6.744 15.093 10.337 1.00 52.00 C ATOM 715 C GLY A 628 -7.565 15.147 9.058 1.00 62.32 C ATOM 716 O GLY A 628 -8.789 14.946 9.086 1.00 42.23 O ATOM 0 H GLY A 628 -7.697 14.232 11.992 1.00 72.23 H new ATOM 0 HA2 GLY A 628 -6.050 15.933 10.358 1.00 52.00 H new ATOM 0 HA3 GLY A 628 -6.144 14.183 10.345 1.00 52.00 H new ATOM 720 N ALA A 629 -6.912 15.399 7.943 1.00 31.52 N ATOM 721 CA ALA A 629 -7.589 15.486 6.655 1.00 24.52 C ATOM 722 C ALA A 629 -8.191 14.143 6.242 1.00 55.33 C ATOM 723 O ALA A 629 -9.272 14.098 5.648 1.00 14.23 O ATOM 724 CB ALA A 629 -6.659 16.040 5.587 1.00 13.32 C ATOM 0 H ALA A 629 -5.904 15.549 7.898 1.00 31.52 H new ATOM 0 HA ALA A 629 -8.419 16.184 6.763 1.00 24.52 H new ATOM 0 HB1 ALA A 629 -7.189 16.095 4.636 1.00 13.32 H new ATOM 0 HB2 ALA A 629 -6.327 17.037 5.875 1.00 13.32 H new ATOM 0 HB3 ALA A 629 -5.793 15.386 5.483 1.00 13.32 H new ATOM 730 N ALA A 630 -7.517 13.049 6.592 1.00 33.24 N ATOM 731 CA ALA A 630 -8.025 11.716 6.289 1.00 42.43 C ATOM 732 C ALA A 630 -9.207 11.412 7.162 1.00 31.01 C ATOM 733 O ALA A 630 -10.085 10.638 6.801 1.00 34.32 O ATOM 734 CB ALA A 630 -6.949 10.675 6.487 1.00 5.31 C ATOM 0 H ALA A 630 -6.623 13.061 7.083 1.00 33.24 H new ATOM 0 HA ALA A 630 -8.335 11.691 5.244 1.00 42.43 H new ATOM 0 HB1 ALA A 630 -7.350 9.688 6.255 1.00 5.31 H new ATOM 0 HB2 ALA A 630 -6.109 10.890 5.826 1.00 5.31 H new ATOM 0 HB3 ALA A 630 -6.610 10.695 7.523 1.00 5.31 H new ATOM 740 N SER A 631 -9.223 12.043 8.293 1.00 75.45 N ATOM 741 CA SER A 631 -10.300 11.896 9.248 1.00 64.32 C ATOM 742 C SER A 631 -11.562 12.540 8.692 1.00 53.52 C ATOM 743 O SER A 631 -12.612 11.902 8.592 1.00 74.51 O ATOM 744 CB SER A 631 -9.890 12.562 10.589 1.00 72.30 C ATOM 745 OG SER A 631 -10.937 12.571 11.559 1.00 23.04 O ATOM 0 H SER A 631 -8.487 12.683 8.592 1.00 75.45 H new ATOM 0 HA SER A 631 -10.499 10.839 9.427 1.00 64.32 H new ATOM 0 HB2 SER A 631 -9.028 12.035 11.000 1.00 72.30 H new ATOM 0 HB3 SER A 631 -9.574 13.587 10.396 1.00 72.30 H new ATOM 0 HG SER A 631 -11.362 13.454 11.573 1.00 23.04 H new ATOM 751 N LYS A 632 -11.439 13.781 8.299 1.00 5.20 N ATOM 752 CA LYS A 632 -12.558 14.533 7.816 1.00 14.53 C ATOM 753 C LYS A 632 -13.011 14.176 6.392 1.00 62.24 C ATOM 754 O LYS A 632 -14.200 13.920 6.168 1.00 71.31 O ATOM 755 CB LYS A 632 -12.317 16.030 8.025 1.00 50.12 C ATOM 756 CG LYS A 632 -11.027 16.553 7.421 1.00 51.33 C ATOM 757 CD LYS A 632 -10.702 17.952 7.915 1.00 11.43 C ATOM 758 CE LYS A 632 -10.490 17.965 9.439 1.00 4.11 C ATOM 759 NZ LYS A 632 -10.052 19.278 9.954 1.00 11.43 N ATOM 0 H LYS A 632 -10.558 14.295 8.306 1.00 5.20 H new ATOM 0 HA LYS A 632 -13.416 14.239 8.420 1.00 14.53 H new ATOM 0 HB2 LYS A 632 -13.153 16.582 7.597 1.00 50.12 H new ATOM 0 HB3 LYS A 632 -12.312 16.238 9.095 1.00 50.12 H new ATOM 0 HG2 LYS A 632 -10.208 15.879 7.672 1.00 51.33 H new ATOM 0 HG3 LYS A 632 -11.111 16.561 6.334 1.00 51.33 H new ATOM 0 HD2 LYS A 632 -9.804 18.318 7.417 1.00 11.43 H new ATOM 0 HD3 LYS A 632 -11.512 18.632 7.651 1.00 11.43 H new ATOM 0 HE2 LYS A 632 -11.420 17.681 9.931 1.00 4.11 H new ATOM 0 HE3 LYS A 632 -9.747 17.212 9.702 1.00 4.11 H new ATOM 0 HZ1 LYS A 632 -10.412 19.409 10.921 1.00 11.43 H new ATOM 0 HZ2 LYS A 632 -9.013 19.318 9.963 1.00 11.43 H new ATOM 0 HZ3 LYS A 632 -10.422 20.032 9.341 1.00 11.43 H new ATOM 773 N ASP A 633 -12.091 14.159 5.436 1.00 22.14 N ATOM 774 CA ASP A 633 -12.482 13.896 4.045 1.00 62.24 C ATOM 775 C ASP A 633 -12.666 12.418 3.741 1.00 14.21 C ATOM 776 O ASP A 633 -13.708 11.996 3.245 1.00 35.05 O ATOM 777 CB ASP A 633 -11.500 14.497 3.053 1.00 51.12 C ATOM 778 CG ASP A 633 -12.014 14.394 1.630 1.00 53.31 C ATOM 779 OD1 ASP A 633 -11.785 13.370 0.953 1.00 33.45 O ATOM 780 OD2 ASP A 633 -12.656 15.356 1.159 1.00 71.22 O ATOM 0 H ASP A 633 -11.095 14.319 5.584 1.00 22.14 H new ATOM 0 HA ASP A 633 -13.450 14.383 3.929 1.00 62.24 H new ATOM 0 HB2 ASP A 633 -11.324 15.543 3.302 1.00 51.12 H new ATOM 0 HB3 ASP A 633 -10.541 13.985 3.133 1.00 51.12 H new ATOM 785 N GLY A 634 -11.653 11.640 4.067 1.00 2.54 N ATOM 786 CA GLY A 634 -11.635 10.237 3.694 1.00 21.14 C ATOM 787 C GLY A 634 -12.545 9.378 4.522 1.00 1.00 C ATOM 788 O GLY A 634 -13.232 8.513 3.985 1.00 43.14 O ATOM 0 H GLY A 634 -10.834 11.953 4.588 1.00 2.54 H new ATOM 0 HA2 GLY A 634 -11.919 10.146 2.646 1.00 21.14 H new ATOM 0 HA3 GLY A 634 -10.616 9.860 3.782 1.00 21.14 H new ATOM 792 N ARG A 635 -12.567 9.648 5.825 1.00 24.22 N ATOM 793 CA ARG A 635 -13.318 8.905 6.795 1.00 60.33 C ATOM 794 C ARG A 635 -12.965 7.417 6.776 1.00 24.45 C ATOM 795 O ARG A 635 -13.649 6.604 6.157 1.00 32.35 O ATOM 796 CB ARG A 635 -14.811 9.130 6.658 1.00 44.13 C ATOM 797 CG ARG A 635 -15.192 10.598 6.547 1.00 32.02 C ATOM 798 CD ARG A 635 -16.626 10.781 6.889 1.00 35.11 C ATOM 799 NE ARG A 635 -16.805 10.401 8.273 1.00 23.15 N ATOM 800 CZ ARG A 635 -17.972 10.314 8.922 1.00 41.23 C ATOM 801 NH1 ARG A 635 -19.119 10.542 8.285 1.00 20.24 N ATOM 802 NH2 ARG A 635 -17.987 9.972 10.202 1.00 23.01 N ATOM 0 H ARG A 635 -12.039 10.419 6.234 1.00 24.22 H new ATOM 0 HA ARG A 635 -13.029 9.290 7.773 1.00 60.33 H new ATOM 0 HB2 ARG A 635 -15.171 8.601 5.776 1.00 44.13 H new ATOM 0 HB3 ARG A 635 -15.317 8.695 7.520 1.00 44.13 H new ATOM 0 HG2 ARG A 635 -14.572 11.194 7.216 1.00 32.02 H new ATOM 0 HG3 ARG A 635 -15.003 10.955 5.535 1.00 32.02 H new ATOM 0 HD2 ARG A 635 -16.925 11.818 6.736 1.00 35.11 H new ATOM 0 HD3 ARG A 635 -17.254 10.169 6.241 1.00 35.11 H new ATOM 0 HE ARG A 635 -15.963 10.179 8.804 1.00 23.15 H new ATOM 0 HH11 ARG A 635 -19.113 10.785 7.294 1.00 20.24 H new ATOM 0 HH12 ARG A 635 -20.004 10.473 8.788 1.00 20.24 H new ATOM 0 HH21 ARG A 635 -17.112 9.777 10.688 1.00 23.01 H new ATOM 0 HH22 ARG A 635 -18.874 9.904 10.701 1.00 23.01 H new ATOM 816 N LEU A 636 -11.863 7.081 7.418 1.00 21.01 N ATOM 817 CA LEU A 636 -11.420 5.708 7.476 1.00 22.43 C ATOM 818 C LEU A 636 -12.245 4.861 8.443 1.00 33.15 C ATOM 819 O LEU A 636 -12.936 5.375 9.338 1.00 72.33 O ATOM 820 CB LEU A 636 -9.905 5.596 7.661 1.00 61.51 C ATOM 821 CG LEU A 636 -9.073 5.928 6.408 1.00 65.33 C ATOM 822 CD1 LEU A 636 -7.625 6.168 6.767 1.00 1.05 C ATOM 823 CD2 LEU A 636 -9.144 4.769 5.423 1.00 63.12 C ATOM 0 H LEU A 636 -11.260 7.743 7.906 1.00 21.01 H new ATOM 0 HA LEU A 636 -11.616 5.266 6.499 1.00 22.43 H new ATOM 0 HB2 LEU A 636 -9.602 6.263 8.468 1.00 61.51 H new ATOM 0 HB3 LEU A 636 -9.666 4.581 7.980 1.00 61.51 H new ATOM 0 HG LEU A 636 -9.484 6.833 5.961 1.00 65.33 H new ATOM 0 HD11 LEU A 636 -7.060 6.400 5.864 1.00 1.05 H new ATOM 0 HD12 LEU A 636 -7.556 7.004 7.463 1.00 1.05 H new ATOM 0 HD13 LEU A 636 -7.213 5.273 7.233 1.00 1.05 H new ATOM 0 HD21 LEU A 636 -8.554 5.007 4.538 1.00 63.12 H new ATOM 0 HD22 LEU A 636 -8.747 3.868 5.892 1.00 63.12 H new ATOM 0 HD23 LEU A 636 -10.181 4.601 5.133 1.00 63.12 H new ATOM 835 N ARG A 637 -12.135 3.582 8.269 1.00 62.43 N ATOM 836 CA ARG A 637 -13.064 2.617 8.844 1.00 64.55 C ATOM 837 C ARG A 637 -12.496 1.724 9.970 1.00 34.40 C ATOM 838 O ARG A 637 -13.250 0.991 10.599 1.00 22.01 O ATOM 839 CB ARG A 637 -13.555 1.788 7.690 1.00 13.02 C ATOM 840 CG ARG A 637 -12.398 1.258 6.874 1.00 24.52 C ATOM 841 CD ARG A 637 -12.826 0.565 5.632 1.00 32.11 C ATOM 842 NE ARG A 637 -13.683 -0.541 5.939 1.00 32.40 N ATOM 843 CZ ARG A 637 -13.258 -1.779 6.161 1.00 25.01 C ATOM 844 NH1 ARG A 637 -11.976 -2.092 5.967 1.00 2.55 N ATOM 845 NH2 ARG A 637 -14.122 -2.712 6.549 1.00 42.14 N ATOM 0 H ARG A 637 -11.391 3.156 7.717 1.00 62.43 H new ATOM 0 HA ARG A 637 -13.858 3.164 9.352 1.00 64.55 H new ATOM 0 HB2 ARG A 637 -14.153 0.956 8.063 1.00 13.02 H new ATOM 0 HB3 ARG A 637 -14.206 2.390 7.056 1.00 13.02 H new ATOM 0 HG2 ARG A 637 -11.738 2.085 6.612 1.00 24.52 H new ATOM 0 HG3 ARG A 637 -11.817 0.568 7.485 1.00 24.52 H new ATOM 0 HD2 ARG A 637 -13.348 1.266 4.980 1.00 32.11 H new ATOM 0 HD3 ARG A 637 -11.951 0.213 5.086 1.00 32.11 H new ATOM 0 HE ARG A 637 -14.687 -0.366 5.990 1.00 32.40 H new ATOM 0 HH11 ARG A 637 -11.320 -1.379 5.647 1.00 2.55 H new ATOM 0 HH12 ARG A 637 -11.652 -3.044 6.138 1.00 2.55 H new ATOM 0 HH21 ARG A 637 -15.106 -2.475 6.675 1.00 42.14 H new ATOM 0 HH22 ARG A 637 -13.801 -3.665 6.721 1.00 42.14 H new ATOM 859 N VAL A 638 -11.183 1.770 10.179 1.00 11.21 N ATOM 860 CA VAL A 638 -10.496 1.033 11.290 1.00 64.12 C ATOM 861 C VAL A 638 -10.462 -0.504 11.059 1.00 21.44 C ATOM 862 O VAL A 638 -11.443 -1.098 10.584 1.00 3.31 O ATOM 863 CB VAL A 638 -11.130 1.375 12.660 1.00 55.53 C ATOM 864 CG1 VAL A 638 -10.560 0.523 13.795 1.00 15.34 C ATOM 865 CG2 VAL A 638 -10.950 2.840 12.989 1.00 52.14 C ATOM 0 H VAL A 638 -10.546 2.313 9.595 1.00 11.21 H new ATOM 0 HA VAL A 638 -9.460 1.371 11.295 1.00 64.12 H new ATOM 0 HB VAL A 638 -12.193 1.150 12.572 1.00 55.53 H new ATOM 0 HG11 VAL A 638 -11.037 0.802 14.734 1.00 15.34 H new ATOM 0 HG12 VAL A 638 -10.750 -0.531 13.590 1.00 15.34 H new ATOM 0 HG13 VAL A 638 -9.485 0.690 13.871 1.00 15.34 H new ATOM 0 HG21 VAL A 638 -11.404 3.054 13.956 1.00 52.14 H new ATOM 0 HG22 VAL A 638 -9.887 3.076 13.027 1.00 52.14 H new ATOM 0 HG23 VAL A 638 -11.429 3.447 12.221 1.00 52.14 H new ATOM 875 N ASN A 639 -9.299 -1.134 11.400 1.00 22.45 N ATOM 876 CA ASN A 639 -9.026 -2.583 11.144 1.00 32.51 C ATOM 877 C ASN A 639 -9.082 -2.724 9.630 1.00 32.33 C ATOM 878 O ASN A 639 -9.449 -3.750 9.042 1.00 0.15 O ATOM 879 CB ASN A 639 -10.078 -3.477 11.859 1.00 65.12 C ATOM 880 CG ASN A 639 -9.718 -4.978 11.910 1.00 51.05 C ATOM 881 OD1 ASN A 639 -9.045 -5.522 11.038 1.00 74.11 O ATOM 882 ND2 ASN A 639 -10.169 -5.648 12.947 1.00 60.33 N ATOM 0 H ASN A 639 -8.526 -0.653 11.859 1.00 22.45 H new ATOM 0 HA ASN A 639 -8.062 -2.906 11.536 1.00 32.51 H new ATOM 0 HB2 ASN A 639 -10.211 -3.114 12.878 1.00 65.12 H new ATOM 0 HB3 ASN A 639 -11.036 -3.364 11.352 1.00 65.12 H new ATOM 0 HD21 ASN A 639 -9.962 -6.642 13.041 1.00 60.33 H new ATOM 0 HD22 ASN A 639 -10.726 -5.174 13.658 1.00 60.33 H new ATOM 889 N ASP A 640 -8.670 -1.652 9.027 1.00 32.11 N ATOM 890 CA ASP A 640 -8.733 -1.437 7.623 1.00 4.11 C ATOM 891 C ASP A 640 -7.393 -1.740 7.014 1.00 15.24 C ATOM 892 O ASP A 640 -6.381 -1.255 7.490 1.00 55.24 O ATOM 893 CB ASP A 640 -9.098 0.008 7.429 1.00 70.23 C ATOM 894 CG ASP A 640 -9.339 0.368 6.025 1.00 34.23 C ATOM 895 OD1 ASP A 640 -9.951 -0.448 5.302 1.00 63.20 O ATOM 896 OD2 ASP A 640 -8.969 1.464 5.652 1.00 44.32 O ATOM 0 H ASP A 640 -8.260 -0.866 9.531 1.00 32.11 H new ATOM 0 HA ASP A 640 -9.468 -2.082 7.142 1.00 4.11 H new ATOM 0 HB2 ASP A 640 -9.992 0.230 8.011 1.00 70.23 H new ATOM 0 HB3 ASP A 640 -8.297 0.633 7.824 1.00 70.23 H new ATOM 901 N GLN A 641 -7.388 -2.530 5.983 1.00 71.43 N ATOM 902 CA GLN A 641 -6.156 -3.010 5.393 1.00 70.04 C ATOM 903 C GLN A 641 -5.619 -2.070 4.328 1.00 64.41 C ATOM 904 O GLN A 641 -6.281 -1.808 3.336 1.00 44.25 O ATOM 905 CB GLN A 641 -6.370 -4.425 4.824 1.00 51.34 C ATOM 906 CG GLN A 641 -5.200 -4.967 4.015 1.00 71.54 C ATOM 907 CD GLN A 641 -3.899 -5.024 4.781 1.00 44.34 C ATOM 908 OE1 GLN A 641 -3.873 -5.219 5.981 1.00 35.41 O ATOM 909 NE2 GLN A 641 -2.818 -4.811 4.085 1.00 20.24 N ATOM 0 H GLN A 641 -8.233 -2.865 5.521 1.00 71.43 H new ATOM 0 HA GLN A 641 -5.402 -3.048 6.179 1.00 70.04 H new ATOM 0 HB2 GLN A 641 -6.571 -5.108 5.650 1.00 51.34 H new ATOM 0 HB3 GLN A 641 -7.259 -4.418 4.193 1.00 51.34 H new ATOM 0 HG2 GLN A 641 -5.447 -5.969 3.664 1.00 71.54 H new ATOM 0 HG3 GLN A 641 -5.063 -4.344 3.131 1.00 71.54 H new ATOM 0 HE21 GLN A 641 -2.882 -4.651 3.080 1.00 20.24 H new ATOM 0 HE22 GLN A 641 -1.908 -4.804 4.546 1.00 20.24 H new ATOM 918 N LEU A 642 -4.410 -1.586 4.540 1.00 20.45 N ATOM 919 CA LEU A 642 -3.751 -0.723 3.580 1.00 75.22 C ATOM 920 C LEU A 642 -3.184 -1.536 2.435 1.00 64.30 C ATOM 921 O LEU A 642 -2.323 -2.395 2.622 1.00 12.45 O ATOM 922 CB LEU A 642 -2.670 0.205 4.220 1.00 71.33 C ATOM 923 CG LEU A 642 -3.152 1.366 5.072 1.00 70.14 C ATOM 924 CD1 LEU A 642 -3.866 0.868 6.299 1.00 44.25 C ATOM 925 CD2 LEU A 642 -1.984 2.246 5.462 1.00 24.04 C ATOM 0 H LEU A 642 -3.860 -1.779 5.377 1.00 20.45 H new ATOM 0 HA LEU A 642 -4.514 -0.052 3.186 1.00 75.22 H new ATOM 0 HB2 LEU A 642 -2.018 -0.415 4.835 1.00 71.33 H new ATOM 0 HB3 LEU A 642 -2.057 0.611 3.415 1.00 71.33 H new ATOM 0 HG LEU A 642 -3.856 1.955 4.485 1.00 70.14 H new ATOM 0 HD11 LEU A 642 -4.202 1.717 6.894 1.00 44.25 H new ATOM 0 HD12 LEU A 642 -4.727 0.270 6.001 1.00 44.25 H new ATOM 0 HD13 LEU A 642 -3.187 0.256 6.892 1.00 44.25 H new ATOM 0 HD21 LEU A 642 -2.341 3.075 6.073 1.00 24.04 H new ATOM 0 HD22 LEU A 642 -1.262 1.661 6.031 1.00 24.04 H new ATOM 0 HD23 LEU A 642 -1.507 2.637 4.563 1.00 24.04 H new ATOM 937 N ILE A 643 -3.686 -1.270 1.261 1.00 13.52 N ATOM 938 CA ILE A 643 -3.306 -1.996 0.072 1.00 50.42 C ATOM 939 C ILE A 643 -2.216 -1.254 -0.655 1.00 52.12 C ATOM 940 O ILE A 643 -1.127 -1.793 -0.912 1.00 63.25 O ATOM 941 CB ILE A 643 -4.509 -2.123 -0.898 1.00 62.14 C ATOM 942 CG1 ILE A 643 -5.715 -2.747 -0.190 1.00 44.44 C ATOM 943 CG2 ILE A 643 -4.121 -2.940 -2.123 1.00 42.30 C ATOM 944 CD1 ILE A 643 -5.464 -4.130 0.354 1.00 34.35 C ATOM 0 H ILE A 643 -4.377 -0.538 1.097 1.00 13.52 H new ATOM 0 HA ILE A 643 -2.965 -2.984 0.380 1.00 50.42 H new ATOM 0 HB ILE A 643 -4.791 -1.123 -1.227 1.00 62.14 H new ATOM 0 HG12 ILE A 643 -6.018 -2.096 0.630 1.00 44.44 H new ATOM 0 HG13 ILE A 643 -6.550 -2.790 -0.889 1.00 44.44 H new ATOM 0 HG21 ILE A 643 -4.977 -3.019 -2.793 1.00 42.30 H new ATOM 0 HG22 ILE A 643 -3.298 -2.449 -2.642 1.00 42.30 H new ATOM 0 HG23 ILE A 643 -3.810 -3.937 -1.812 1.00 42.30 H new ATOM 0 HD11 ILE A 643 -6.367 -4.499 0.840 1.00 34.35 H new ATOM 0 HD12 ILE A 643 -5.192 -4.798 -0.463 1.00 34.35 H new ATOM 0 HD13 ILE A 643 -4.651 -4.094 1.079 1.00 34.35 H new ATOM 956 N ALA A 644 -2.509 -0.024 -0.975 1.00 54.32 N ATOM 957 CA ALA A 644 -1.628 0.792 -1.740 1.00 42.02 C ATOM 958 C ALA A 644 -1.683 2.213 -1.253 1.00 73.33 C ATOM 959 O ALA A 644 -2.679 2.643 -0.666 1.00 55.44 O ATOM 960 CB ALA A 644 -2.006 0.723 -3.214 1.00 51.21 C ATOM 0 H ALA A 644 -3.377 0.438 -0.706 1.00 54.32 H new ATOM 0 HA ALA A 644 -0.609 0.423 -1.620 1.00 42.02 H new ATOM 0 HB1 ALA A 644 -1.328 1.350 -3.793 1.00 51.21 H new ATOM 0 HB2 ALA A 644 -1.933 -0.308 -3.561 1.00 51.21 H new ATOM 0 HB3 ALA A 644 -3.028 1.078 -3.344 1.00 51.21 H new ATOM 966 N VAL A 645 -0.634 2.932 -1.491 1.00 51.43 N ATOM 967 CA VAL A 645 -0.549 4.297 -1.092 1.00 20.14 C ATOM 968 C VAL A 645 0.054 5.119 -2.238 1.00 62.01 C ATOM 969 O VAL A 645 1.063 4.730 -2.824 1.00 63.32 O ATOM 970 CB VAL A 645 0.262 4.454 0.228 1.00 34.32 C ATOM 971 CG1 VAL A 645 1.711 4.004 0.075 1.00 5.04 C ATOM 972 CG2 VAL A 645 0.160 5.867 0.760 1.00 74.52 C ATOM 0 H VAL A 645 0.195 2.584 -1.972 1.00 51.43 H new ATOM 0 HA VAL A 645 -1.550 4.674 -0.882 1.00 20.14 H new ATOM 0 HB VAL A 645 -0.186 3.789 0.966 1.00 34.32 H new ATOM 0 HG11 VAL A 645 2.234 4.133 1.023 1.00 5.04 H new ATOM 0 HG12 VAL A 645 1.737 2.953 -0.214 1.00 5.04 H new ATOM 0 HG13 VAL A 645 2.199 4.603 -0.694 1.00 5.04 H new ATOM 0 HG21 VAL A 645 0.735 5.951 1.682 1.00 74.52 H new ATOM 0 HG22 VAL A 645 0.556 6.563 0.021 1.00 74.52 H new ATOM 0 HG23 VAL A 645 -0.884 6.106 0.960 1.00 74.52 H new ATOM 982 N ASN A 646 -0.591 6.241 -2.569 1.00 61.43 N ATOM 983 CA ASN A 646 -0.211 7.073 -3.735 1.00 65.34 C ATOM 984 C ASN A 646 -0.088 6.271 -5.030 1.00 1.01 C ATOM 985 O ASN A 646 0.624 6.655 -5.947 1.00 73.33 O ATOM 986 CB ASN A 646 1.034 7.930 -3.451 1.00 2.43 C ATOM 987 CG ASN A 646 0.679 9.124 -2.598 1.00 3.41 C ATOM 988 OD1 ASN A 646 -0.426 9.632 -2.683 1.00 64.23 O ATOM 989 ND2 ASN A 646 1.583 9.580 -1.778 1.00 44.24 N ATOM 0 H ASN A 646 -1.388 6.604 -2.046 1.00 61.43 H new ATOM 0 HA ASN A 646 -1.038 7.764 -3.897 1.00 65.34 H new ATOM 0 HB2 ASN A 646 1.788 7.327 -2.945 1.00 2.43 H new ATOM 0 HB3 ASN A 646 1.472 8.266 -4.391 1.00 2.43 H new ATOM 0 HD21 ASN A 646 1.375 10.383 -1.185 1.00 44.24 H new ATOM 0 HD22 ASN A 646 2.499 9.134 -1.729 1.00 44.24 H new ATOM 996 N GLY A 647 -0.844 5.199 -5.118 1.00 14.14 N ATOM 997 CA GLY A 647 -0.804 4.356 -6.299 1.00 71.42 C ATOM 998 C GLY A 647 0.166 3.181 -6.180 1.00 71.12 C ATOM 999 O GLY A 647 0.044 2.199 -6.915 1.00 33.14 O ATOM 0 H GLY A 647 -1.491 4.889 -4.393 1.00 14.14 H new ATOM 0 HA2 GLY A 647 -1.805 3.971 -6.495 1.00 71.42 H new ATOM 0 HA3 GLY A 647 -0.522 4.963 -7.159 1.00 71.42 H new ATOM 1003 N GLU A 648 1.114 3.266 -5.262 1.00 61.42 N ATOM 1004 CA GLU A 648 2.086 2.213 -5.085 1.00 33.34 C ATOM 1005 C GLU A 648 1.519 1.172 -4.132 1.00 11.43 C ATOM 1006 O GLU A 648 1.114 1.505 -3.021 1.00 50.44 O ATOM 1007 CB GLU A 648 3.382 2.799 -4.524 1.00 2.10 C ATOM 1008 CG GLU A 648 4.506 1.795 -4.367 1.00 0.44 C ATOM 1009 CD GLU A 648 4.922 1.182 -5.686 1.00 1.12 C ATOM 1010 OE1 GLU A 648 5.716 1.818 -6.423 1.00 61.31 O ATOM 1011 OE2 GLU A 648 4.466 0.059 -6.021 1.00 52.15 O ATOM 0 H GLU A 648 1.227 4.058 -4.629 1.00 61.42 H new ATOM 0 HA GLU A 648 2.304 1.742 -6.043 1.00 33.34 H new ATOM 0 HB2 GLU A 648 3.717 3.602 -5.180 1.00 2.10 H new ATOM 0 HB3 GLU A 648 3.173 3.247 -3.553 1.00 2.10 H new ATOM 0 HG2 GLU A 648 5.366 2.285 -3.910 1.00 0.44 H new ATOM 0 HG3 GLU A 648 4.191 1.005 -3.686 1.00 0.44 H new ATOM 1018 N SER A 649 1.508 -0.065 -4.555 1.00 73.32 N ATOM 1019 CA SER A 649 0.921 -1.129 -3.780 1.00 34.32 C ATOM 1020 C SER A 649 1.966 -1.757 -2.869 1.00 73.10 C ATOM 1021 O SER A 649 3.149 -1.816 -3.214 1.00 64.32 O ATOM 1022 CB SER A 649 0.303 -2.180 -4.725 1.00 13.51 C ATOM 1023 OG SER A 649 -0.390 -3.204 -4.011 1.00 51.34 O ATOM 0 H SER A 649 1.905 -0.364 -5.446 1.00 73.32 H new ATOM 0 HA SER A 649 0.130 -0.723 -3.150 1.00 34.32 H new ATOM 0 HB2 SER A 649 -0.386 -1.688 -5.412 1.00 13.51 H new ATOM 0 HB3 SER A 649 1.090 -2.630 -5.330 1.00 13.51 H new ATOM 0 HG SER A 649 -0.767 -3.848 -4.646 1.00 51.34 H new ATOM 1029 N LEU A 650 1.546 -2.195 -1.702 1.00 3.22 N ATOM 1030 CA LEU A 650 2.448 -2.836 -0.776 1.00 0.14 C ATOM 1031 C LEU A 650 1.897 -4.115 -0.182 1.00 13.12 C ATOM 1032 O LEU A 650 2.534 -4.721 0.683 1.00 54.51 O ATOM 1033 CB LEU A 650 2.974 -1.862 0.296 1.00 52.51 C ATOM 1034 CG LEU A 650 1.959 -0.932 1.005 1.00 13.22 C ATOM 1035 CD1 LEU A 650 0.967 -1.689 1.868 1.00 1.12 C ATOM 1036 CD2 LEU A 650 2.685 0.119 1.822 1.00 62.44 C ATOM 0 H LEU A 650 0.583 -2.118 -1.373 1.00 3.22 H new ATOM 0 HA LEU A 650 3.309 -3.144 -1.369 1.00 0.14 H new ATOM 0 HB2 LEU A 650 3.476 -2.452 1.063 1.00 52.51 H new ATOM 0 HB3 LEU A 650 3.732 -1.233 -0.170 1.00 52.51 H new ATOM 0 HG LEU A 650 1.380 -0.442 0.222 1.00 13.22 H new ATOM 0 HD11 LEU A 650 0.282 -0.984 2.339 1.00 1.12 H new ATOM 0 HD12 LEU A 650 0.402 -2.385 1.248 1.00 1.12 H new ATOM 0 HD13 LEU A 650 1.503 -2.243 2.638 1.00 1.12 H new ATOM 0 HD21 LEU A 650 1.957 0.764 2.314 1.00 62.44 H new ATOM 0 HD22 LEU A 650 3.304 -0.369 2.575 1.00 62.44 H new ATOM 0 HD23 LEU A 650 3.316 0.718 1.166 1.00 62.44 H new ATOM 1048 N LEU A 651 0.733 -4.545 -0.646 1.00 35.32 N ATOM 1049 CA LEU A 651 0.177 -5.786 -0.149 1.00 72.40 C ATOM 1050 C LEU A 651 0.978 -6.939 -0.733 1.00 1.32 C ATOM 1051 O LEU A 651 0.832 -7.293 -1.915 1.00 64.33 O ATOM 1052 CB LEU A 651 -1.342 -5.914 -0.477 1.00 44.20 C ATOM 1053 CG LEU A 651 -2.147 -7.086 0.202 1.00 55.12 C ATOM 1054 CD1 LEU A 651 -3.608 -6.957 -0.111 1.00 61.40 C ATOM 1055 CD2 LEU A 651 -1.679 -8.473 -0.230 1.00 10.14 C ATOM 0 H LEU A 651 0.170 -4.065 -1.348 1.00 35.32 H new ATOM 0 HA LEU A 651 0.250 -5.805 0.938 1.00 72.40 H new ATOM 0 HB2 LEU A 651 -1.823 -4.975 -0.203 1.00 44.20 H new ATOM 0 HB3 LEU A 651 -1.443 -6.021 -1.557 1.00 44.20 H new ATOM 0 HG LEU A 651 -1.965 -6.994 1.273 1.00 55.12 H new ATOM 0 HD11 LEU A 651 -4.155 -7.772 0.363 1.00 61.40 H new ATOM 0 HD12 LEU A 651 -3.978 -6.004 0.266 1.00 61.40 H new ATOM 0 HD13 LEU A 651 -3.754 -7.001 -1.190 1.00 61.40 H new ATOM 0 HD21 LEU A 651 -2.276 -9.232 0.275 1.00 10.14 H new ATOM 0 HD22 LEU A 651 -1.797 -8.577 -1.309 1.00 10.14 H new ATOM 0 HD23 LEU A 651 -0.629 -8.601 0.034 1.00 10.14 H new ATOM 1067 N GLY A 652 1.850 -7.463 0.063 1.00 73.41 N ATOM 1068 CA GLY A 652 2.633 -8.596 -0.336 1.00 41.32 C ATOM 1069 C GLY A 652 3.926 -8.613 0.393 1.00 61.24 C ATOM 1070 O GLY A 652 4.509 -9.674 0.646 1.00 42.25 O ATOM 0 H GLY A 652 2.043 -7.123 1.005 1.00 73.41 H new ATOM 0 HA2 GLY A 652 2.083 -9.515 -0.135 1.00 41.32 H new ATOM 0 HA3 GLY A 652 2.814 -8.561 -1.410 1.00 41.32 H new ATOM 1074 N LYS A 653 4.386 -7.443 0.733 1.00 55.41 N ATOM 1075 CA LYS A 653 5.587 -7.316 1.488 1.00 3.21 C ATOM 1076 C LYS A 653 5.244 -7.310 2.971 1.00 4.31 C ATOM 1077 O LYS A 653 4.069 -7.176 3.344 1.00 23.31 O ATOM 1078 CB LYS A 653 6.371 -6.067 1.070 1.00 41.32 C ATOM 1079 CG LYS A 653 5.659 -4.757 1.328 1.00 4.10 C ATOM 1080 CD LYS A 653 6.439 -3.526 0.835 1.00 42.34 C ATOM 1081 CE LYS A 653 6.520 -3.388 -0.695 1.00 3.52 C ATOM 1082 NZ LYS A 653 7.373 -4.386 -1.383 1.00 73.53 N ATOM 0 H LYS A 653 3.938 -6.558 0.494 1.00 55.41 H new ATOM 0 HA LYS A 653 6.237 -8.168 1.288 1.00 3.21 H new ATOM 0 HB2 LYS A 653 7.323 -6.058 1.601 1.00 41.32 H new ATOM 0 HB3 LYS A 653 6.600 -6.137 0.007 1.00 41.32 H new ATOM 0 HG2 LYS A 653 4.685 -4.780 0.839 1.00 4.10 H new ATOM 0 HG3 LYS A 653 5.476 -4.657 2.398 1.00 4.10 H new ATOM 0 HD2 LYS A 653 5.972 -2.629 1.243 1.00 42.34 H new ATOM 0 HD3 LYS A 653 7.451 -3.569 1.237 1.00 42.34 H new ATOM 0 HE2 LYS A 653 5.511 -3.456 -1.102 1.00 3.52 H new ATOM 0 HE3 LYS A 653 6.893 -2.392 -0.933 1.00 3.52 H new ATOM 0 HZ1 LYS A 653 7.907 -3.920 -2.144 1.00 73.53 H new ATOM 0 HZ2 LYS A 653 8.037 -4.805 -0.701 1.00 73.53 H new ATOM 0 HZ3 LYS A 653 6.775 -5.134 -1.787 1.00 73.53 H new ATOM 1096 N ALA A 654 6.244 -7.422 3.794 1.00 72.40 N ATOM 1097 CA ALA A 654 6.050 -7.552 5.231 1.00 42.43 C ATOM 1098 C ALA A 654 5.757 -6.213 5.869 1.00 13.41 C ATOM 1099 O ALA A 654 5.957 -5.174 5.247 1.00 70.32 O ATOM 1100 CB ALA A 654 7.263 -8.194 5.874 1.00 64.43 C ATOM 0 H ALA A 654 7.221 -7.427 3.501 1.00 72.40 H new ATOM 0 HA ALA A 654 5.186 -8.196 5.395 1.00 42.43 H new ATOM 0 HB1 ALA A 654 7.101 -8.283 6.948 1.00 64.43 H new ATOM 0 HB2 ALA A 654 7.420 -9.185 5.447 1.00 64.43 H new ATOM 0 HB3 ALA A 654 8.142 -7.576 5.690 1.00 64.43 H new ATOM 1106 N ASN A 655 5.316 -6.248 7.132 1.00 73.24 N ATOM 1107 CA ASN A 655 4.937 -5.036 7.897 1.00 2.30 C ATOM 1108 C ASN A 655 6.040 -4.005 7.891 1.00 64.14 C ATOM 1109 O ASN A 655 5.789 -2.810 7.723 1.00 43.34 O ATOM 1110 CB ASN A 655 4.582 -5.376 9.358 1.00 64.25 C ATOM 1111 CG ASN A 655 3.346 -6.246 9.520 1.00 51.51 C ATOM 1112 OD1 ASN A 655 3.259 -7.036 10.454 1.00 41.15 O ATOM 1113 ND2 ASN A 655 2.387 -6.115 8.628 1.00 13.45 N ATOM 0 H ASN A 655 5.209 -7.114 7.660 1.00 73.24 H new ATOM 0 HA ASN A 655 4.059 -4.623 7.400 1.00 2.30 H new ATOM 0 HB2 ASN A 655 5.431 -5.884 9.816 1.00 64.25 H new ATOM 0 HB3 ASN A 655 4.432 -4.447 9.908 1.00 64.25 H new ATOM 0 HD21 ASN A 655 1.541 -6.680 8.702 1.00 13.45 H new ATOM 0 HD22 ASN A 655 2.490 -5.449 7.863 1.00 13.45 H new ATOM 1120 N GLN A 656 7.257 -4.474 8.059 1.00 13.14 N ATOM 1121 CA GLN A 656 8.425 -3.612 8.090 1.00 1.12 C ATOM 1122 C GLN A 656 8.606 -2.927 6.751 1.00 10.05 C ATOM 1123 O GLN A 656 8.685 -1.703 6.679 1.00 3.00 O ATOM 1124 CB GLN A 656 9.659 -4.446 8.416 1.00 23.03 C ATOM 1125 CG GLN A 656 9.587 -5.186 9.748 1.00 54.53 C ATOM 1126 CD GLN A 656 9.826 -4.324 10.989 1.00 13.11 C ATOM 1127 OE1 GLN A 656 10.305 -4.826 11.989 1.00 64.32 O ATOM 1128 NE2 GLN A 656 9.529 -3.051 10.941 1.00 33.55 N ATOM 0 H GLN A 656 7.468 -5.465 8.178 1.00 13.14 H new ATOM 0 HA GLN A 656 8.287 -2.849 8.856 1.00 1.12 H new ATOM 0 HB2 GLN A 656 9.812 -5.173 7.618 1.00 23.03 H new ATOM 0 HB3 GLN A 656 10.532 -3.793 8.424 1.00 23.03 H new ATOM 0 HG2 GLN A 656 8.605 -5.652 9.833 1.00 54.53 H new ATOM 0 HG3 GLN A 656 10.322 -5.991 9.738 1.00 54.53 H new ATOM 0 HE21 GLN A 656 9.128 -2.652 10.092 1.00 33.55 H new ATOM 0 HE22 GLN A 656 9.698 -2.457 11.753 1.00 33.55 H new ATOM 1137 N GLU A 657 8.600 -3.733 5.701 1.00 3.04 N ATOM 1138 CA GLU A 657 8.812 -3.267 4.338 1.00 51.12 C ATOM 1139 C GLU A 657 7.691 -2.319 3.940 1.00 34.14 C ATOM 1140 O GLU A 657 7.910 -1.298 3.264 1.00 63.34 O ATOM 1141 CB GLU A 657 8.800 -4.455 3.389 1.00 35.03 C ATOM 1142 CG GLU A 657 9.750 -5.581 3.758 1.00 24.24 C ATOM 1143 CD GLU A 657 9.680 -6.730 2.779 1.00 54.52 C ATOM 1144 OE1 GLU A 657 8.769 -7.568 2.891 1.00 72.13 O ATOM 1145 OE2 GLU A 657 10.523 -6.799 1.872 1.00 25.42 O ATOM 0 H GLU A 657 8.446 -4.739 5.771 1.00 3.04 H new ATOM 0 HA GLU A 657 9.771 -2.752 4.284 1.00 51.12 H new ATOM 0 HB2 GLU A 657 7.787 -4.855 3.344 1.00 35.03 H new ATOM 0 HB3 GLU A 657 9.049 -4.103 2.388 1.00 35.03 H new ATOM 0 HG2 GLU A 657 10.770 -5.197 3.793 1.00 24.24 H new ATOM 0 HG3 GLU A 657 9.511 -5.943 4.758 1.00 24.24 H new ATOM 1152 N ALA A 658 6.486 -2.672 4.354 1.00 44.31 N ATOM 1153 CA ALA A 658 5.306 -1.902 4.073 1.00 75.11 C ATOM 1154 C ALA A 658 5.399 -0.531 4.692 1.00 22.20 C ATOM 1155 O ALA A 658 5.134 0.453 4.025 1.00 3.21 O ATOM 1156 CB ALA A 658 4.061 -2.629 4.536 1.00 12.22 C ATOM 0 H ALA A 658 6.307 -3.514 4.901 1.00 44.31 H new ATOM 0 HA ALA A 658 5.234 -1.776 2.993 1.00 75.11 H new ATOM 0 HB1 ALA A 658 3.182 -2.025 4.312 1.00 12.22 H new ATOM 0 HB2 ALA A 658 3.985 -3.586 4.019 1.00 12.22 H new ATOM 0 HB3 ALA A 658 4.118 -2.801 5.611 1.00 12.22 H new ATOM 1162 N MET A 659 5.805 -0.458 5.958 1.00 15.44 N ATOM 1163 CA MET A 659 5.964 0.839 6.600 1.00 11.23 C ATOM 1164 C MET A 659 7.022 1.674 5.923 1.00 12.14 C ATOM 1165 O MET A 659 6.829 2.863 5.743 1.00 14.23 O ATOM 1166 CB MET A 659 6.219 0.764 8.102 1.00 5.12 C ATOM 1167 CG MET A 659 5.018 0.342 8.929 1.00 3.33 C ATOM 1168 SD MET A 659 5.372 0.336 10.699 1.00 41.13 S ATOM 1169 CE MET A 659 3.728 0.125 11.365 1.00 12.14 C ATOM 0 H MET A 659 6.025 -1.262 6.545 1.00 15.44 H new ATOM 0 HA MET A 659 4.998 1.330 6.479 1.00 11.23 H new ATOM 0 HB2 MET A 659 7.033 0.062 8.284 1.00 5.12 H new ATOM 0 HB3 MET A 659 6.557 1.741 8.449 1.00 5.12 H new ATOM 0 HG2 MET A 659 4.187 1.018 8.729 1.00 3.33 H new ATOM 0 HG3 MET A 659 4.700 -0.654 8.621 1.00 3.33 H new ATOM 0 HE1 MET A 659 3.704 0.482 12.395 1.00 12.14 H new ATOM 0 HE2 MET A 659 3.017 0.695 10.766 1.00 12.14 H new ATOM 0 HE3 MET A 659 3.458 -0.931 11.341 1.00 12.14 H new ATOM 1179 N GLU A 660 8.127 1.050 5.527 1.00 71.54 N ATOM 1180 CA GLU A 660 9.203 1.756 4.821 1.00 44.25 C ATOM 1181 C GLU A 660 8.672 2.366 3.531 1.00 43.20 C ATOM 1182 O GLU A 660 8.935 3.541 3.222 1.00 23.54 O ATOM 1183 CB GLU A 660 10.340 0.808 4.478 1.00 63.22 C ATOM 1184 CG GLU A 660 10.956 0.113 5.663 1.00 63.43 C ATOM 1185 CD GLU A 660 12.089 -0.776 5.258 1.00 73.30 C ATOM 1186 OE1 GLU A 660 11.843 -1.865 4.727 1.00 41.40 O ATOM 1187 OE2 GLU A 660 13.259 -0.381 5.453 1.00 25.14 O ATOM 0 H GLU A 660 8.305 0.058 5.681 1.00 71.54 H new ATOM 0 HA GLU A 660 9.575 2.540 5.480 1.00 44.25 H new ATOM 0 HB2 GLU A 660 9.970 0.054 3.783 1.00 63.22 H new ATOM 0 HB3 GLU A 660 11.117 1.367 3.957 1.00 63.22 H new ATOM 0 HG2 GLU A 660 11.314 0.857 6.375 1.00 63.43 H new ATOM 0 HG3 GLU A 660 10.195 -0.477 6.174 1.00 63.43 H new ATOM 1194 N THR A 661 7.907 1.568 2.801 1.00 20.22 N ATOM 1195 CA THR A 661 7.323 1.985 1.545 1.00 33.41 C ATOM 1196 C THR A 661 6.302 3.101 1.799 1.00 64.12 C ATOM 1197 O THR A 661 6.336 4.154 1.164 1.00 3.32 O ATOM 1198 CB THR A 661 6.628 0.778 0.866 1.00 2.11 C ATOM 1199 OG1 THR A 661 7.586 -0.292 0.702 1.00 34.51 O ATOM 1200 CG2 THR A 661 6.053 1.157 -0.497 1.00 54.21 C ATOM 0 H THR A 661 7.676 0.611 3.068 1.00 20.22 H new ATOM 0 HA THR A 661 8.107 2.360 0.887 1.00 33.41 H new ATOM 0 HB THR A 661 5.804 0.456 1.503 1.00 2.11 H new ATOM 0 HG1 THR A 661 7.763 -0.708 1.571 1.00 34.51 H new ATOM 0 HG21 THR A 661 5.573 0.286 -0.944 1.00 54.21 H new ATOM 0 HG22 THR A 661 5.318 1.953 -0.373 1.00 54.21 H new ATOM 0 HG23 THR A 661 6.856 1.503 -1.147 1.00 54.21 H new ATOM 1208 N LEU A 662 5.434 2.863 2.768 1.00 25.13 N ATOM 1209 CA LEU A 662 4.395 3.792 3.153 1.00 13.03 C ATOM 1210 C LEU A 662 4.967 5.144 3.547 1.00 44.21 C ATOM 1211 O LEU A 662 4.530 6.164 3.023 1.00 54.01 O ATOM 1212 CB LEU A 662 3.533 3.174 4.268 1.00 63.13 C ATOM 1213 CG LEU A 662 2.464 4.052 4.921 1.00 62.21 C ATOM 1214 CD1 LEU A 662 1.507 4.612 3.888 1.00 53.01 C ATOM 1215 CD2 LEU A 662 1.693 3.243 5.942 1.00 60.33 C ATOM 0 H LEU A 662 5.435 2.003 3.316 1.00 25.13 H new ATOM 0 HA LEU A 662 3.753 3.978 2.292 1.00 13.03 H new ATOM 0 HB2 LEU A 662 3.037 2.294 3.858 1.00 63.13 H new ATOM 0 HB3 LEU A 662 4.203 2.825 5.053 1.00 63.13 H new ATOM 0 HG LEU A 662 2.964 4.887 5.412 1.00 62.21 H new ATOM 0 HD11 LEU A 662 0.759 5.232 4.383 1.00 53.01 H new ATOM 0 HD12 LEU A 662 2.060 5.216 3.169 1.00 53.01 H new ATOM 0 HD13 LEU A 662 1.012 3.792 3.368 1.00 53.01 H new ATOM 0 HD21 LEU A 662 0.932 3.872 6.405 1.00 60.33 H new ATOM 0 HD22 LEU A 662 1.214 2.397 5.449 1.00 60.33 H new ATOM 0 HD23 LEU A 662 2.377 2.877 6.708 1.00 60.33 H new ATOM 1227 N ARG A 663 5.960 5.144 4.437 1.00 0.03 N ATOM 1228 CA ARG A 663 6.611 6.386 4.885 1.00 63.11 C ATOM 1229 C ARG A 663 7.131 7.172 3.691 1.00 24.31 C ATOM 1230 O ARG A 663 6.878 8.365 3.562 1.00 72.23 O ATOM 1231 CB ARG A 663 7.789 6.078 5.823 1.00 74.41 C ATOM 1232 CG ARG A 663 7.406 5.450 7.148 1.00 13.14 C ATOM 1233 CD ARG A 663 8.640 5.052 7.951 1.00 1.13 C ATOM 1234 NE ARG A 663 8.283 4.493 9.262 1.00 31.42 N ATOM 1235 CZ ARG A 663 9.010 3.597 9.952 1.00 53.45 C ATOM 1236 NH1 ARG A 663 10.129 3.095 9.440 1.00 50.42 N ATOM 1237 NH2 ARG A 663 8.603 3.206 11.149 1.00 43.01 N ATOM 0 H ARG A 663 6.335 4.298 4.866 1.00 0.03 H new ATOM 0 HA ARG A 663 5.867 6.975 5.420 1.00 63.11 H new ATOM 0 HB2 ARG A 663 8.479 5.410 5.308 1.00 74.41 H new ATOM 0 HB3 ARG A 663 8.329 7.004 6.020 1.00 74.41 H new ATOM 0 HG2 ARG A 663 6.805 6.153 7.725 1.00 13.14 H new ATOM 0 HG3 ARG A 663 6.786 4.571 6.970 1.00 13.14 H new ATOM 0 HD2 ARG A 663 9.218 4.319 7.389 1.00 1.13 H new ATOM 0 HD3 ARG A 663 9.280 5.924 8.090 1.00 1.13 H new ATOM 0 HE ARG A 663 7.411 4.811 9.684 1.00 31.42 H new ATOM 0 HH11 ARG A 663 10.444 3.389 8.515 1.00 50.42 H new ATOM 0 HH12 ARG A 663 10.673 2.416 9.972 1.00 50.42 H new ATOM 0 HH21 ARG A 663 7.742 3.584 11.544 1.00 43.01 H new ATOM 0 HH22 ARG A 663 9.151 2.526 11.677 1.00 43.01 H new ATOM 1251 N ARG A 664 7.810 6.477 2.806 1.00 3.44 N ATOM 1252 CA ARG A 664 8.419 7.074 1.639 1.00 20.24 C ATOM 1253 C ARG A 664 7.379 7.667 0.709 1.00 30.44 C ATOM 1254 O ARG A 664 7.457 8.821 0.362 1.00 34.14 O ATOM 1255 CB ARG A 664 9.224 6.017 0.897 1.00 74.32 C ATOM 1256 CG ARG A 664 9.918 6.506 -0.360 1.00 2.22 C ATOM 1257 CD ARG A 664 10.599 5.356 -1.065 1.00 23.44 C ATOM 1258 NE ARG A 664 11.603 4.709 -0.220 1.00 45.24 N ATOM 1259 CZ ARG A 664 11.932 3.412 -0.274 1.00 4.34 C ATOM 1260 NH1 ARG A 664 11.258 2.573 -1.073 1.00 74.12 N ATOM 1261 NH2 ARG A 664 12.912 2.952 0.497 1.00 64.10 N ATOM 0 H ARG A 664 7.956 5.470 2.877 1.00 3.44 H new ATOM 0 HA ARG A 664 9.071 7.882 1.970 1.00 20.24 H new ATOM 0 HB2 ARG A 664 9.975 5.612 1.575 1.00 74.32 H new ATOM 0 HB3 ARG A 664 8.559 5.196 0.631 1.00 74.32 H new ATOM 0 HG2 ARG A 664 9.192 6.971 -1.027 1.00 2.22 H new ATOM 0 HG3 ARG A 664 10.652 7.270 -0.104 1.00 2.22 H new ATOM 0 HD2 ARG A 664 9.851 4.622 -1.366 1.00 23.44 H new ATOM 0 HD3 ARG A 664 11.073 5.720 -1.977 1.00 23.44 H new ATOM 0 HE ARG A 664 12.090 5.290 0.462 1.00 45.24 H new ATOM 0 HH11 ARG A 664 10.489 2.921 -1.645 1.00 74.12 H new ATOM 0 HH12 ARG A 664 11.514 1.586 -1.109 1.00 74.12 H new ATOM 0 HH21 ARG A 664 13.408 3.586 1.124 1.00 64.10 H new ATOM 0 HH22 ARG A 664 13.168 1.965 0.462 1.00 64.10 H new ATOM 1275 N SER A 665 6.388 6.909 0.364 1.00 33.35 N ATOM 1276 CA SER A 665 5.435 7.355 -0.610 1.00 64.11 C ATOM 1277 C SER A 665 4.530 8.446 -0.053 1.00 63.44 C ATOM 1278 O SER A 665 4.177 9.385 -0.769 1.00 33.12 O ATOM 1279 CB SER A 665 4.627 6.179 -1.137 1.00 45.53 C ATOM 1280 OG SER A 665 5.486 5.189 -1.669 1.00 64.22 O ATOM 0 H SER A 665 6.214 5.977 0.740 1.00 33.35 H new ATOM 0 HA SER A 665 5.984 7.794 -1.443 1.00 64.11 H new ATOM 0 HB2 SER A 665 4.025 5.754 -0.334 1.00 45.53 H new ATOM 0 HB3 SER A 665 3.935 6.521 -1.907 1.00 45.53 H new ATOM 0 HG SER A 665 5.893 4.681 -0.936 1.00 64.22 H new ATOM 1286 N MET A 666 4.190 8.358 1.224 1.00 30.11 N ATOM 1287 CA MET A 666 3.292 9.336 1.809 1.00 43.35 C ATOM 1288 C MET A 666 4.011 10.660 2.042 1.00 64.11 C ATOM 1289 O MET A 666 3.418 11.721 1.912 1.00 21.44 O ATOM 1290 CB MET A 666 2.596 8.791 3.101 1.00 4.11 C ATOM 1291 CG MET A 666 3.461 8.616 4.358 1.00 24.51 C ATOM 1292 SD MET A 666 3.880 10.164 5.181 1.00 22.12 S ATOM 1293 CE MET A 666 2.239 10.765 5.589 1.00 11.21 C ATOM 0 H MET A 666 4.516 7.633 1.863 1.00 30.11 H new ATOM 0 HA MET A 666 2.490 9.527 1.095 1.00 43.35 H new ATOM 0 HB2 MET A 666 1.776 9.464 3.349 1.00 4.11 H new ATOM 0 HB3 MET A 666 2.153 7.824 2.861 1.00 4.11 H new ATOM 0 HG2 MET A 666 2.934 7.973 5.063 1.00 24.51 H new ATOM 0 HG3 MET A 666 4.382 8.101 4.084 1.00 24.51 H new ATOM 0 HE1 MET A 666 2.048 11.694 5.052 1.00 11.21 H new ATOM 0 HE2 MET A 666 1.497 10.020 5.301 1.00 11.21 H new ATOM 0 HE3 MET A 666 2.174 10.946 6.662 1.00 11.21 H new ATOM 1303 N SER A 667 5.288 10.583 2.341 1.00 74.01 N ATOM 1304 CA SER A 667 6.081 11.758 2.596 1.00 13.44 C ATOM 1305 C SER A 667 6.605 12.334 1.281 1.00 54.23 C ATOM 1306 O SER A 667 6.377 13.509 0.976 1.00 23.43 O ATOM 1307 CB SER A 667 7.241 11.392 3.535 1.00 21.23 C ATOM 1308 OG SER A 667 8.053 12.510 3.880 1.00 60.51 O ATOM 0 H SER A 667 5.803 9.705 2.413 1.00 74.01 H new ATOM 0 HA SER A 667 5.466 12.519 3.075 1.00 13.44 H new ATOM 0 HB2 SER A 667 6.838 10.948 4.445 1.00 21.23 H new ATOM 0 HB3 SER A 667 7.861 10.633 3.058 1.00 21.23 H new ATOM 0 HG SER A 667 8.772 12.220 4.479 1.00 60.51 H new ATOM 1314 N THR A 668 7.257 11.491 0.483 1.00 52.05 N ATOM 1315 CA THR A 668 7.874 11.927 -0.747 1.00 33.45 C ATOM 1316 C THR A 668 6.842 12.388 -1.764 1.00 21.02 C ATOM 1317 O THR A 668 6.888 13.521 -2.239 1.00 14.24 O ATOM 1318 CB THR A 668 8.745 10.806 -1.340 1.00 30.32 C ATOM 1319 OG1 THR A 668 9.778 10.462 -0.393 1.00 53.43 O ATOM 1320 CG2 THR A 668 9.380 11.212 -2.666 1.00 51.35 C ATOM 0 H THR A 668 7.367 10.496 0.677 1.00 52.05 H new ATOM 0 HA THR A 668 8.508 12.781 -0.510 1.00 33.45 H new ATOM 0 HB THR A 668 8.103 9.947 -1.536 1.00 30.32 H new ATOM 0 HG1 THR A 668 9.427 9.815 0.253 1.00 53.43 H new ATOM 0 HG21 THR A 668 9.985 10.389 -3.046 1.00 51.35 H new ATOM 0 HG22 THR A 668 8.597 11.450 -3.386 1.00 51.35 H new ATOM 0 HG23 THR A 668 10.012 12.087 -2.514 1.00 51.35 H new ATOM 1328 N GLU A 669 5.893 11.542 -2.065 1.00 33.05 N ATOM 1329 CA GLU A 669 4.931 11.887 -3.091 1.00 1.31 C ATOM 1330 C GLU A 669 3.703 12.597 -2.566 1.00 23.25 C ATOM 1331 O GLU A 669 3.046 13.312 -3.310 1.00 53.34 O ATOM 1332 CB GLU A 669 4.569 10.705 -3.973 1.00 20.33 C ATOM 1333 CG GLU A 669 5.736 10.215 -4.801 1.00 4.22 C ATOM 1334 CD GLU A 669 5.354 9.131 -5.757 1.00 24.21 C ATOM 1335 OE1 GLU A 669 4.613 9.418 -6.713 1.00 23.52 O ATOM 1336 OE2 GLU A 669 5.819 7.993 -5.605 1.00 44.51 O ATOM 0 H GLU A 669 5.762 10.629 -1.630 1.00 33.05 H new ATOM 0 HA GLU A 669 5.444 12.614 -3.721 1.00 1.31 H new ATOM 0 HB2 GLU A 669 4.204 9.889 -3.349 1.00 20.33 H new ATOM 0 HB3 GLU A 669 3.752 10.989 -4.636 1.00 20.33 H new ATOM 0 HG2 GLU A 669 6.157 11.052 -5.358 1.00 4.22 H new ATOM 0 HG3 GLU A 669 6.518 9.848 -4.137 1.00 4.22 H new ATOM 1343 N GLY A 670 3.413 12.423 -1.292 1.00 30.32 N ATOM 1344 CA GLY A 670 2.249 13.066 -0.700 1.00 30.53 C ATOM 1345 C GLY A 670 2.317 14.578 -0.804 1.00 61.14 C ATOM 1346 O GLY A 670 1.439 15.215 -1.399 1.00 12.03 O ATOM 0 H GLY A 670 3.959 11.849 -0.650 1.00 30.32 H new ATOM 0 HA2 GLY A 670 1.347 12.709 -1.197 1.00 30.53 H new ATOM 0 HA3 GLY A 670 2.171 12.778 0.348 1.00 30.53 H new ATOM 1350 N ASN A 671 3.377 15.153 -0.273 1.00 14.33 N ATOM 1351 CA ASN A 671 3.548 16.603 -0.300 1.00 61.24 C ATOM 1352 C ASN A 671 3.913 17.102 -1.686 1.00 73.05 C ATOM 1353 O ASN A 671 3.704 18.278 -2.009 1.00 52.34 O ATOM 1354 CB ASN A 671 4.572 17.077 0.737 1.00 41.22 C ATOM 1355 CG ASN A 671 4.116 16.835 2.162 1.00 74.45 C ATOM 1356 OD1 ASN A 671 4.389 15.789 2.756 1.00 61.11 O ATOM 1357 ND2 ASN A 671 3.421 17.790 2.719 1.00 44.04 N ATOM 0 H ASN A 671 4.135 14.645 0.183 1.00 14.33 H new ATOM 0 HA ASN A 671 2.583 17.035 -0.034 1.00 61.24 H new ATOM 0 HB2 ASN A 671 5.518 16.561 0.570 1.00 41.22 H new ATOM 0 HB3 ASN A 671 4.760 18.141 0.596 1.00 41.22 H new ATOM 0 HD21 ASN A 671 3.085 17.684 3.676 1.00 44.04 H new ATOM 0 HD22 ASN A 671 3.214 18.642 2.197 1.00 44.04 H new ATOM 1364 N LYS A 672 4.444 16.216 -2.504 1.00 13.20 N ATOM 1365 CA LYS A 672 4.813 16.555 -3.867 1.00 15.00 C ATOM 1366 C LYS A 672 3.569 16.793 -4.714 1.00 32.11 C ATOM 1367 O LYS A 672 3.462 17.792 -5.420 1.00 22.13 O ATOM 1368 CB LYS A 672 5.668 15.445 -4.480 1.00 61.12 C ATOM 1369 CG LYS A 672 6.082 15.697 -5.915 1.00 41.51 C ATOM 1370 CD LYS A 672 6.970 14.587 -6.448 1.00 12.22 C ATOM 1371 CE LYS A 672 7.366 14.837 -7.897 1.00 22.31 C ATOM 1372 NZ LYS A 672 8.083 16.122 -8.070 1.00 41.22 N ATOM 0 H LYS A 672 4.632 15.247 -2.247 1.00 13.20 H new ATOM 0 HA LYS A 672 5.398 17.474 -3.846 1.00 15.00 H new ATOM 0 HB2 LYS A 672 6.564 15.316 -3.873 1.00 61.12 H new ATOM 0 HB3 LYS A 672 5.113 14.508 -4.433 1.00 61.12 H new ATOM 0 HG2 LYS A 672 5.193 15.783 -6.540 1.00 41.51 H new ATOM 0 HG3 LYS A 672 6.611 16.648 -5.979 1.00 41.51 H new ATOM 0 HD2 LYS A 672 7.866 14.510 -5.833 1.00 12.22 H new ATOM 0 HD3 LYS A 672 6.448 13.633 -6.372 1.00 12.22 H new ATOM 0 HE2 LYS A 672 7.999 14.021 -8.244 1.00 22.31 H new ATOM 0 HE3 LYS A 672 6.472 14.835 -8.521 1.00 22.31 H new ATOM 0 HZ1 LYS A 672 8.508 16.158 -9.019 1.00 41.22 H new ATOM 0 HZ2 LYS A 672 7.414 16.910 -7.961 1.00 41.22 H new ATOM 0 HZ3 LYS A 672 8.832 16.201 -7.352 1.00 41.22 H new ATOM 1386 N ARG A 673 2.624 15.882 -4.618 1.00 44.41 N ATOM 1387 CA ARG A 673 1.388 15.975 -5.387 1.00 13.23 C ATOM 1388 C ARG A 673 0.455 16.999 -4.751 1.00 44.42 C ATOM 1389 O ARG A 673 -0.325 17.674 -5.430 1.00 51.52 O ATOM 1390 CB ARG A 673 0.696 14.616 -5.423 1.00 1.12 C ATOM 1391 CG ARG A 673 1.545 13.492 -5.987 1.00 11.14 C ATOM 1392 CD ARG A 673 0.809 12.175 -5.913 1.00 43.52 C ATOM 1393 NE ARG A 673 1.645 11.044 -6.321 1.00 30.44 N ATOM 1394 CZ ARG A 673 1.188 9.809 -6.542 1.00 53.21 C ATOM 1395 NH1 ARG A 673 -0.120 9.564 -6.547 1.00 3.33 N ATOM 1396 NH2 ARG A 673 2.043 8.830 -6.789 1.00 72.04 N ATOM 0 H ARG A 673 2.683 15.062 -4.014 1.00 44.41 H new ATOM 0 HA ARG A 673 1.629 16.287 -6.403 1.00 13.23 H new ATOM 0 HB2 ARG A 673 0.391 14.351 -4.411 1.00 1.12 H new ATOM 0 HB3 ARG A 673 -0.213 14.701 -6.018 1.00 1.12 H new ATOM 0 HG2 ARG A 673 1.805 13.711 -7.023 1.00 11.14 H new ATOM 0 HG3 ARG A 673 2.480 13.423 -5.432 1.00 11.14 H new ATOM 0 HD2 ARG A 673 0.458 12.015 -4.893 1.00 43.52 H new ATOM 0 HD3 ARG A 673 -0.074 12.219 -6.551 1.00 43.52 H new ATOM 0 HE ARG A 673 2.644 11.211 -6.445 1.00 30.44 H new ATOM 0 HH11 ARG A 673 -0.782 10.322 -6.381 1.00 3.33 H new ATOM 0 HH12 ARG A 673 -0.461 8.618 -6.717 1.00 3.33 H new ATOM 0 HH21 ARG A 673 3.045 9.021 -6.810 1.00 72.04 H new ATOM 0 HH22 ARG A 673 1.700 7.884 -6.959 1.00 72.04 H new ATOM 1410 N GLY A 674 0.542 17.108 -3.444 1.00 71.51 N ATOM 1411 CA GLY A 674 -0.314 18.012 -2.710 1.00 43.42 C ATOM 1412 C GLY A 674 -1.420 17.251 -2.036 1.00 50.25 C ATOM 1413 O GLY A 674 -2.106 17.763 -1.157 1.00 33.11 O ATOM 0 H GLY A 674 1.198 16.581 -2.867 1.00 71.51 H new ATOM 0 HA2 GLY A 674 0.270 18.553 -1.966 1.00 43.42 H new ATOM 0 HA3 GLY A 674 -0.735 18.755 -3.387 1.00 43.42 H new ATOM 1417 N MET A 675 -1.579 16.022 -2.447 1.00 42.23 N ATOM 1418 CA MET A 675 -2.547 15.125 -1.891 1.00 43.13 C ATOM 1419 C MET A 675 -2.021 13.732 -1.961 1.00 33.01 C ATOM 1420 O MET A 675 -1.173 13.417 -2.802 1.00 15.32 O ATOM 1421 CB MET A 675 -3.928 15.216 -2.582 1.00 12.51 C ATOM 1422 CG MET A 675 -3.916 14.956 -4.078 1.00 31.02 C ATOM 1423 SD MET A 675 -5.569 15.031 -4.819 1.00 22.33 S ATOM 1424 CE MET A 675 -6.046 16.729 -4.481 1.00 45.11 C ATOM 0 H MET A 675 -1.024 15.610 -3.197 1.00 42.23 H new ATOM 0 HA MET A 675 -2.707 15.418 -0.853 1.00 43.13 H new ATOM 0 HB2 MET A 675 -4.602 14.501 -2.110 1.00 12.51 H new ATOM 0 HB3 MET A 675 -4.342 16.209 -2.404 1.00 12.51 H new ATOM 0 HG2 MET A 675 -3.272 15.689 -4.564 1.00 31.02 H new ATOM 0 HG3 MET A 675 -3.482 13.974 -4.268 1.00 31.02 H new ATOM 0 HE1 MET A 675 -6.871 17.012 -5.135 1.00 45.11 H new ATOM 0 HE2 MET A 675 -6.360 16.819 -3.441 1.00 45.11 H new ATOM 0 HE3 MET A 675 -5.197 17.388 -4.662 1.00 45.11 H new ATOM 1434 N ILE A 676 -2.499 12.927 -1.092 1.00 71.10 N ATOM 1435 CA ILE A 676 -2.111 11.577 -0.998 1.00 70.20 C ATOM 1436 C ILE A 676 -3.311 10.652 -1.214 1.00 11.31 C ATOM 1437 O ILE A 676 -4.411 10.940 -0.778 1.00 1.24 O ATOM 1438 CB ILE A 676 -1.405 11.289 0.361 1.00 70.12 C ATOM 1439 CG1 ILE A 676 -1.174 9.792 0.515 1.00 3.31 C ATOM 1440 CG2 ILE A 676 -2.207 11.855 1.520 1.00 74.33 C ATOM 1441 CD1 ILE A 676 -0.403 9.369 1.705 1.00 30.21 C ATOM 0 H ILE A 676 -3.197 13.202 -0.401 1.00 71.10 H new ATOM 0 HA ILE A 676 -1.389 11.375 -1.789 1.00 70.20 H new ATOM 0 HB ILE A 676 -0.435 11.787 0.370 1.00 70.12 H new ATOM 0 HG12 ILE A 676 -2.145 9.297 0.542 1.00 3.31 H new ATOM 0 HG13 ILE A 676 -0.657 9.432 -0.374 1.00 3.31 H new ATOM 0 HG21 ILE A 676 -1.693 11.641 2.457 1.00 74.33 H new ATOM 0 HG22 ILE A 676 -2.308 12.934 1.400 1.00 74.33 H new ATOM 0 HG23 ILE A 676 -3.196 11.397 1.536 1.00 74.33 H new ATOM 0 HD11 ILE A 676 -0.303 8.284 1.707 1.00 30.21 H new ATOM 0 HD12 ILE A 676 0.587 9.824 1.678 1.00 30.21 H new ATOM 0 HD13 ILE A 676 -0.924 9.687 2.608 1.00 30.21 H new ATOM 1453 N GLN A 677 -3.084 9.580 -1.905 1.00 63.02 N ATOM 1454 CA GLN A 677 -4.105 8.601 -2.191 1.00 73.53 C ATOM 1455 C GLN A 677 -3.892 7.367 -1.333 1.00 64.20 C ATOM 1456 O GLN A 677 -2.779 6.867 -1.227 1.00 14.52 O ATOM 1457 CB GLN A 677 -4.058 8.222 -3.668 1.00 44.04 C ATOM 1458 CG GLN A 677 -5.063 7.161 -4.063 1.00 21.45 C ATOM 1459 CD GLN A 677 -5.063 6.865 -5.546 1.00 13.24 C ATOM 1460 OE1 GLN A 677 -5.318 5.748 -5.954 1.00 4.10 O ATOM 1461 NE2 GLN A 677 -4.840 7.867 -6.356 1.00 42.42 N ATOM 0 H GLN A 677 -2.171 9.349 -2.297 1.00 63.02 H new ATOM 0 HA GLN A 677 -5.082 9.027 -1.963 1.00 73.53 H new ATOM 0 HB2 GLN A 677 -4.233 9.115 -4.268 1.00 44.04 H new ATOM 0 HB3 GLN A 677 -3.056 7.867 -3.910 1.00 44.04 H new ATOM 0 HG2 GLN A 677 -4.847 6.243 -3.516 1.00 21.45 H new ATOM 0 HG3 GLN A 677 -6.060 7.484 -3.763 1.00 21.45 H new ATOM 0 HE21 GLN A 677 -4.629 8.791 -5.978 1.00 42.42 H new ATOM 0 HE22 GLN A 677 -4.877 7.725 -7.365 1.00 42.42 H new ATOM 1470 N LEU A 678 -4.937 6.890 -0.717 1.00 63.21 N ATOM 1471 CA LEU A 678 -4.855 5.710 0.108 1.00 62.21 C ATOM 1472 C LEU A 678 -5.811 4.676 -0.421 1.00 62.33 C ATOM 1473 O LEU A 678 -7.006 4.946 -0.577 1.00 14.52 O ATOM 1474 CB LEU A 678 -5.223 5.992 1.590 1.00 74.32 C ATOM 1475 CG LEU A 678 -4.442 7.070 2.356 1.00 42.32 C ATOM 1476 CD1 LEU A 678 -2.962 6.784 2.331 1.00 72.11 C ATOM 1477 CD2 LEU A 678 -4.758 8.473 1.848 1.00 44.45 C ATOM 0 H LEU A 678 -5.868 7.304 -0.770 1.00 63.21 H new ATOM 0 HA LEU A 678 -3.822 5.363 0.074 1.00 62.21 H new ATOM 0 HB2 LEU A 678 -6.278 6.264 1.622 1.00 74.32 H new ATOM 0 HB3 LEU A 678 -5.119 5.056 2.139 1.00 74.32 H new ATOM 0 HG LEU A 678 -4.768 7.035 3.396 1.00 42.32 H new ATOM 0 HD11 LEU A 678 -2.432 7.562 2.880 1.00 72.11 H new ATOM 0 HD12 LEU A 678 -2.770 5.817 2.796 1.00 72.11 H new ATOM 0 HD13 LEU A 678 -2.612 6.766 1.299 1.00 72.11 H new ATOM 0 HD21 LEU A 678 -4.184 9.204 2.418 1.00 44.45 H new ATOM 0 HD22 LEU A 678 -4.494 8.546 0.793 1.00 44.45 H new ATOM 0 HD23 LEU A 678 -5.823 8.673 1.970 1.00 44.45 H new ATOM 1489 N ILE A 679 -5.306 3.527 -0.719 1.00 53.02 N ATOM 1490 CA ILE A 679 -6.122 2.440 -1.160 1.00 11.25 C ATOM 1491 C ILE A 679 -6.147 1.421 -0.089 1.00 24.11 C ATOM 1492 O ILE A 679 -5.118 0.838 0.265 1.00 3.14 O ATOM 1493 CB ILE A 679 -5.620 1.840 -2.483 1.00 0.43 C ATOM 1494 CG1 ILE A 679 -5.711 2.916 -3.535 1.00 44.32 C ATOM 1495 CG2 ILE A 679 -6.475 0.624 -2.886 1.00 51.21 C ATOM 1496 CD1 ILE A 679 -5.068 2.586 -4.850 1.00 71.33 C ATOM 0 H ILE A 679 -4.311 3.311 -0.664 1.00 53.02 H new ATOM 0 HA ILE A 679 -7.130 2.805 -1.357 1.00 11.25 H new ATOM 0 HB ILE A 679 -4.591 1.496 -2.375 1.00 0.43 H new ATOM 0 HG12 ILE A 679 -6.763 3.141 -3.710 1.00 44.32 H new ATOM 0 HG13 ILE A 679 -5.252 3.824 -3.143 1.00 44.32 H new ATOM 0 HG21 ILE A 679 -6.104 0.213 -3.825 1.00 51.21 H new ATOM 0 HG22 ILE A 679 -6.415 -0.137 -2.108 1.00 51.21 H new ATOM 0 HG23 ILE A 679 -7.513 0.934 -3.011 1.00 51.21 H new ATOM 0 HD11 ILE A 679 -5.190 3.425 -5.535 1.00 71.33 H new ATOM 0 HD12 ILE A 679 -4.006 2.393 -4.698 1.00 71.33 H new ATOM 0 HD13 ILE A 679 -5.541 1.700 -5.274 1.00 71.33 H new ATOM 1508 N VAL A 680 -7.287 1.227 0.426 1.00 3.33 N ATOM 1509 CA VAL A 680 -7.506 0.340 1.516 1.00 41.12 C ATOM 1510 C VAL A 680 -8.540 -0.691 1.126 1.00 13.25 C ATOM 1511 O VAL A 680 -9.216 -0.541 0.110 1.00 70.43 O ATOM 1512 CB VAL A 680 -7.944 1.118 2.791 1.00 33.30 C ATOM 1513 CG1 VAL A 680 -6.812 2.022 3.279 1.00 52.41 C ATOM 1514 CG2 VAL A 680 -9.199 1.958 2.523 1.00 5.52 C ATOM 0 H VAL A 680 -8.134 1.692 0.099 1.00 3.33 H new ATOM 0 HA VAL A 680 -6.571 -0.168 1.752 1.00 41.12 H new ATOM 0 HB VAL A 680 -8.177 0.386 3.564 1.00 33.30 H new ATOM 0 HG11 VAL A 680 -7.134 2.559 4.171 1.00 52.41 H new ATOM 0 HG12 VAL A 680 -5.938 1.415 3.517 1.00 52.41 H new ATOM 0 HG13 VAL A 680 -6.555 2.737 2.498 1.00 52.41 H new ATOM 0 HG21 VAL A 680 -9.481 2.490 3.431 1.00 5.52 H new ATOM 0 HG22 VAL A 680 -8.993 2.677 1.730 1.00 5.52 H new ATOM 0 HG23 VAL A 680 -10.016 1.304 2.217 1.00 5.52 H new ATOM 1524 N ALA A 681 -8.645 -1.733 1.880 1.00 55.52 N ATOM 1525 CA ALA A 681 -9.561 -2.779 1.552 1.00 22.24 C ATOM 1526 C ALA A 681 -10.591 -2.963 2.613 1.00 1.35 C ATOM 1527 O ALA A 681 -10.291 -2.986 3.806 1.00 60.25 O ATOM 1528 CB ALA A 681 -8.840 -4.087 1.293 1.00 44.24 C ATOM 0 H ALA A 681 -8.106 -1.886 2.732 1.00 55.52 H new ATOM 0 HA ALA A 681 -10.067 -2.477 0.635 1.00 22.24 H new ATOM 0 HB1 ALA A 681 -9.567 -4.861 1.046 1.00 44.24 H new ATOM 0 HB2 ALA A 681 -8.147 -3.962 0.461 1.00 44.24 H new ATOM 0 HB3 ALA A 681 -8.287 -4.380 2.185 1.00 44.24 H new ATOM 1534 N ARG A 682 -11.782 -3.175 2.171 1.00 23.21 N ATOM 1535 CA ARG A 682 -12.892 -3.381 3.021 1.00 11.44 C ATOM 1536 C ARG A 682 -13.254 -4.813 2.935 1.00 10.10 C ATOM 1537 O ARG A 682 -13.545 -5.316 1.848 1.00 5.20 O ATOM 1538 CB ARG A 682 -14.092 -2.620 2.514 1.00 75.02 C ATOM 1539 CG ARG A 682 -15.335 -2.903 3.326 1.00 70.33 C ATOM 1540 CD ARG A 682 -16.571 -2.632 2.537 1.00 53.44 C ATOM 1541 NE ARG A 682 -17.793 -2.821 3.332 1.00 74.20 N ATOM 1542 CZ ARG A 682 -18.985 -3.172 2.837 1.00 14.43 C ATOM 1543 NH1 ARG A 682 -19.127 -3.425 1.549 1.00 24.21 N ATOM 1544 NH2 ARG A 682 -20.034 -3.267 3.640 1.00 21.13 N ATOM 0 H ARG A 682 -12.012 -3.210 1.178 1.00 23.21 H new ATOM 0 HA ARG A 682 -12.634 -3.059 4.030 1.00 11.44 H new ATOM 0 HB2 ARG A 682 -13.879 -1.551 2.540 1.00 75.02 H new ATOM 0 HB3 ARG A 682 -14.273 -2.884 1.472 1.00 75.02 H new ATOM 0 HG2 ARG A 682 -15.330 -3.943 3.652 1.00 70.33 H new ATOM 0 HG3 ARG A 682 -15.333 -2.287 4.225 1.00 70.33 H new ATOM 0 HD2 ARG A 682 -16.541 -1.610 2.158 1.00 53.44 H new ATOM 0 HD3 ARG A 682 -16.598 -3.292 1.670 1.00 53.44 H new ATOM 0 HE ARG A 682 -17.727 -2.673 4.339 1.00 74.20 H new ATOM 0 HH11 ARG A 682 -18.324 -3.353 0.924 1.00 24.21 H new ATOM 0 HH12 ARG A 682 -20.039 -3.692 1.179 1.00 24.21 H new ATOM 0 HH21 ARG A 682 -19.933 -3.072 4.636 1.00 21.13 H new ATOM 0 HH22 ARG A 682 -20.943 -3.535 3.262 1.00 21.13 H new ATOM 1839 N GLU B 780 4.827 -1.007 17.166 1.00 21.14 N ATOM 1840 CA GLU B 780 5.075 -1.030 15.756 1.00 43.22 C ATOM 1841 C GLU B 780 3.914 -0.408 15.080 1.00 70.35 C ATOM 1842 O GLU B 780 3.029 -1.068 14.550 1.00 23.34 O ATOM 1843 CB GLU B 780 5.361 -2.433 15.244 1.00 15.52 C ATOM 1844 CG GLU B 780 6.624 -3.020 15.845 1.00 21.13 C ATOM 1845 CD GLU B 780 6.909 -4.427 15.398 1.00 14.03 C ATOM 1846 OE1 GLU B 780 7.285 -4.617 14.224 1.00 50.11 O ATOM 1847 OE2 GLU B 780 6.818 -5.353 16.224 1.00 13.10 O ATOM 0 HA GLU B 780 5.977 -0.460 15.532 1.00 43.22 H new ATOM 0 HB2 GLU B 780 4.516 -3.081 15.476 1.00 15.52 H new ATOM 0 HB3 GLU B 780 5.455 -2.409 14.158 1.00 15.52 H new ATOM 0 HG2 GLU B 780 7.470 -2.386 15.581 1.00 21.13 H new ATOM 0 HG3 GLU B 780 6.540 -3.003 16.932 1.00 21.13 H new ATOM 1854 N GLU B 781 3.901 0.864 15.196 1.00 32.11 N ATOM 1855 CA GLU B 781 2.829 1.707 14.760 1.00 71.13 C ATOM 1856 C GLU B 781 3.415 2.864 14.018 1.00 24.22 C ATOM 1857 O GLU B 781 4.470 3.377 14.391 1.00 13.11 O ATOM 1858 CB GLU B 781 2.090 2.224 15.985 1.00 5.43 C ATOM 1859 CG GLU B 781 1.431 1.149 16.816 1.00 62.22 C ATOM 1860 CD GLU B 781 1.121 1.611 18.201 1.00 3.31 C ATOM 1861 OE1 GLU B 781 2.026 1.609 19.046 1.00 1.31 O ATOM 1862 OE2 GLU B 781 -0.026 2.000 18.472 1.00 5.33 O ATOM 0 H GLU B 781 4.671 1.383 15.617 1.00 32.11 H new ATOM 0 HA GLU B 781 2.142 1.156 14.117 1.00 71.13 H new ATOM 0 HB2 GLU B 781 2.792 2.772 16.613 1.00 5.43 H new ATOM 0 HB3 GLU B 781 1.329 2.934 15.662 1.00 5.43 H new ATOM 0 HG2 GLU B 781 0.510 0.829 16.328 1.00 62.22 H new ATOM 0 HG3 GLU B 781 2.085 0.278 16.864 1.00 62.22 H new ATOM 1869 N LEU B 782 2.768 3.255 12.992 1.00 43.50 N ATOM 1870 CA LEU B 782 3.188 4.323 12.194 1.00 35.23 C ATOM 1871 C LEU B 782 2.078 5.347 12.087 1.00 74.12 C ATOM 1872 O LEU B 782 0.951 5.019 11.754 1.00 54.31 O ATOM 1873 CB LEU B 782 3.574 3.757 10.839 1.00 51.15 C ATOM 1874 CG LEU B 782 3.864 4.726 9.732 1.00 64.34 C ATOM 1875 CD1 LEU B 782 4.969 5.676 10.119 1.00 53.31 C ATOM 1876 CD2 LEU B 782 4.227 3.964 8.496 1.00 33.30 C ATOM 0 H LEU B 782 1.900 2.821 12.677 1.00 43.50 H new ATOM 0 HA LEU B 782 4.049 4.832 12.627 1.00 35.23 H new ATOM 0 HB2 LEU B 782 4.456 3.132 10.976 1.00 51.15 H new ATOM 0 HB3 LEU B 782 2.768 3.102 10.508 1.00 51.15 H new ATOM 0 HG LEU B 782 2.973 5.324 9.539 1.00 64.34 H new ATOM 0 HD11 LEU B 782 5.159 6.367 9.298 1.00 53.31 H new ATOM 0 HD12 LEU B 782 4.673 6.237 11.005 1.00 53.31 H new ATOM 0 HD13 LEU B 782 5.876 5.111 10.334 1.00 53.31 H new ATOM 0 HD21 LEU B 782 4.439 4.663 7.687 1.00 33.30 H new ATOM 0 HD22 LEU B 782 5.110 3.355 8.690 1.00 33.30 H new ATOM 0 HD23 LEU B 782 3.397 3.319 8.210 1.00 33.30 H new ATOM 1888 N ILE B 783 2.390 6.564 12.403 1.00 61.00 N ATOM 1889 CA ILE B 783 1.426 7.626 12.302 1.00 62.43 C ATOM 1890 C ILE B 783 1.679 8.397 11.040 1.00 50.23 C ATOM 1891 O ILE B 783 2.804 8.838 10.785 1.00 33.21 O ATOM 1892 CB ILE B 783 1.415 8.612 13.537 1.00 74.44 C ATOM 1893 CG1 ILE B 783 0.974 7.912 14.851 1.00 13.15 C ATOM 1894 CG2 ILE B 783 0.523 9.837 13.265 1.00 43.51 C ATOM 1895 CD1 ILE B 783 1.944 6.881 15.409 1.00 65.10 C ATOM 0 H ILE B 783 3.310 6.853 12.736 1.00 61.00 H new ATOM 0 HA ILE B 783 0.443 7.155 12.290 1.00 62.43 H new ATOM 0 HB ILE B 783 2.443 8.947 13.671 1.00 74.44 H new ATOM 0 HG12 ILE B 783 0.809 8.677 15.610 1.00 13.15 H new ATOM 0 HG13 ILE B 783 0.015 7.424 14.677 1.00 13.15 H new ATOM 0 HG21 ILE B 783 0.536 10.496 14.133 1.00 43.51 H new ATOM 0 HG22 ILE B 783 0.899 10.375 12.395 1.00 43.51 H new ATOM 0 HG23 ILE B 783 -0.499 9.508 13.075 1.00 43.51 H new ATOM 0 HD11 ILE B 783 1.536 6.456 16.326 1.00 65.10 H new ATOM 0 HD12 ILE B 783 2.093 6.088 14.677 1.00 65.10 H new ATOM 0 HD13 ILE B 783 2.899 7.360 15.625 1.00 65.10 H new ATOM 1907 N ILE B 784 0.667 8.531 10.253 1.00 3.40 N ATOM 1908 CA ILE B 784 0.741 9.255 9.041 1.00 12.12 C ATOM 1909 C ILE B 784 -0.199 10.449 9.085 1.00 41.33 C ATOM 1910 O ILE B 784 0.283 11.577 9.201 1.00 37.35 O ATOM 1911 CB ILE B 784 0.512 8.375 7.779 1.00 51.52 C ATOM 1912 CG1 ILE B 784 -0.782 7.567 7.866 1.00 31.12 C ATOM 1913 CG2 ILE B 784 1.713 7.457 7.526 1.00 53.43 C ATOM 1914 CD1 ILE B 784 -1.096 6.830 6.594 1.00 62.42 C ATOM 1915 OXT ILE B 784 -1.410 10.270 9.015 1.00 37.35 O ATOM 0 H ILE B 784 -0.252 8.130 10.442 1.00 3.40 H new ATOM 0 HA ILE B 784 1.764 9.621 8.947 1.00 12.12 H new ATOM 0 HB ILE B 784 0.411 9.053 6.931 1.00 51.52 H new ATOM 0 HG12 ILE B 784 -0.704 6.852 8.685 1.00 31.12 H new ATOM 0 HG13 ILE B 784 -1.608 8.237 8.106 1.00 31.12 H new ATOM 0 HG21 ILE B 784 1.528 6.852 6.638 1.00 53.43 H new ATOM 0 HG22 ILE B 784 2.607 8.061 7.373 1.00 53.43 H new ATOM 0 HG23 ILE B 784 1.859 6.804 8.386 1.00 53.43 H new ATOM 0 HD11 ILE B 784 -2.026 6.274 6.716 1.00 62.42 H new ATOM 0 HD12 ILE B 784 -1.204 7.544 5.777 1.00 62.42 H new ATOM 0 HD13 ILE B 784 -0.286 6.137 6.366 1.00 62.42 H new