USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 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 -150:sc= -0.356 USER MOD Single : A 594 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 596 SER OG : rot 176:sc= 1.01 USER MOD Single : A 598 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 604 SER OG : rot 180:sc= -0.329 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -5.09! K(o=-5.1!,f=-1.2) USER MOD Single : A 610 SER OG : rot -150:sc= -0.174 USER MOD Single : A 622 LYS NZ :NH3+ -107:sc= -0.0724 (180deg=-2.31!) USER MOD Single : A 623 SER OG : rot 180:sc=-0.00101 USER MOD Single : A 626 ASN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 631 SER OG : rot 166:sc= 0.667 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.944 K(o=-0.94,f=-0.12) USER MOD Single : A 641 GLN : amide:sc= 0.705 K(o=0.71,f=-1.4) USER MOD Single : A 646 ASN : amide:sc= -0.887 K(o=-0.89,f=-13!) USER MOD Single : A 649 SER OG : rot 180:sc= 0.151 USER MOD Single : A 653 LYS NZ :NH3+ 175:sc= 0.617 (180deg=0.588) USER MOD Single : A 655 ASN : amide:sc= -0.687 K(o=-0.69,f=-2.6!) USER MOD Single : A 656 GLN : amide:sc= -3.55! K(o=-3.5!,f=-0.3) USER MOD Single : A 659 MET CE :methyl -150:sc=-0.00085 (180deg=-2.38) USER MOD Single : A 661 THR OG1 : rot 79:sc= 0.285 USER MOD Single : A 665 SER OG : rot 83:sc= 1 USER MOD Single : A 666 MET CE :methyl -108:sc= -0.735 (180deg=-3.85!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 88:sc= 0.157 USER MOD Single : A 671 ASN : amide:sc= -0.084 K(o=-0.084,f=-0.69) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl -176:sc= -0.864 (180deg=-0.917) USER MOD Single : A 677 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.420 -5.543 -0.033 1.00 31.13 N ATOM 79 CA GLU A 585 -13.782 -4.416 -0.846 1.00 11.24 C ATOM 80 C GLU A 585 -12.695 -3.394 -0.816 1.00 63.04 C ATOM 81 O GLU A 585 -12.160 -3.073 0.246 1.00 41.01 O ATOM 82 CB GLU A 585 -15.057 -3.769 -0.320 1.00 14.12 C ATOM 83 CG GLU A 585 -16.283 -4.652 -0.318 1.00 24.31 C ATOM 84 CD GLU A 585 -16.697 -5.093 -1.697 1.00 31.21 C ATOM 85 OE1 GLU A 585 -17.402 -4.332 -2.387 1.00 2.41 O ATOM 86 OE2 GLU A 585 -16.347 -6.207 -2.109 1.00 1.32 O ATOM 0 HA GLU A 585 -13.939 -4.771 -1.865 1.00 11.24 H new ATOM 0 HB2 GLU A 585 -14.876 -3.427 0.699 1.00 14.12 H new ATOM 0 HB3 GLU A 585 -15.269 -2.884 -0.921 1.00 14.12 H new ATOM 0 HG2 GLU A 585 -16.088 -5.532 0.295 1.00 24.31 H new ATOM 0 HG3 GLU A 585 -17.109 -4.115 0.148 1.00 24.31 H new ATOM 93 N PHE A 586 -12.375 -2.893 -1.970 1.00 4.41 N ATOM 94 CA PHE A 586 -11.365 -1.890 -2.130 1.00 50.53 C ATOM 95 C PHE A 586 -11.990 -0.553 -2.279 1.00 63.12 C ATOM 96 O PHE A 586 -12.831 -0.336 -3.162 1.00 33.33 O ATOM 97 CB PHE A 586 -10.489 -2.194 -3.336 1.00 12.22 C ATOM 98 CG PHE A 586 -9.672 -3.396 -3.114 1.00 61.41 C ATOM 99 CD1 PHE A 586 -10.177 -4.650 -3.373 1.00 20.45 C ATOM 100 CD2 PHE A 586 -8.411 -3.280 -2.601 1.00 63.31 C ATOM 101 CE1 PHE A 586 -9.431 -5.771 -3.132 1.00 14.22 C ATOM 102 CE2 PHE A 586 -7.662 -4.395 -2.354 1.00 64.31 C ATOM 103 CZ PHE A 586 -8.166 -5.646 -2.620 1.00 72.10 C ATOM 0 H PHE A 586 -12.817 -3.175 -2.845 1.00 4.41 H new ATOM 0 HA PHE A 586 -10.737 -1.891 -1.239 1.00 50.53 H new ATOM 0 HB2 PHE A 586 -11.115 -2.335 -4.217 1.00 12.22 H new ATOM 0 HB3 PHE A 586 -9.839 -1.343 -3.540 1.00 12.22 H new ATOM 0 HD1 PHE A 586 -11.176 -4.750 -3.772 1.00 20.45 H new ATOM 0 HD2 PHE A 586 -8.005 -2.302 -2.390 1.00 63.31 H new ATOM 0 HE1 PHE A 586 -9.837 -6.749 -3.344 1.00 14.22 H new ATOM 0 HE2 PHE A 586 -6.667 -4.293 -1.947 1.00 64.31 H new ATOM 0 HZ PHE A 586 -7.569 -6.525 -2.427 1.00 72.10 H new ATOM 113 N LEU A 587 -11.629 0.331 -1.424 1.00 74.30 N ATOM 114 CA LEU A 587 -12.120 1.663 -1.475 1.00 4.14 C ATOM 115 C LEU A 587 -10.966 2.584 -1.593 1.00 53.21 C ATOM 116 O LEU A 587 -9.940 2.395 -0.939 1.00 14.12 O ATOM 117 CB LEU A 587 -13.002 2.042 -0.260 1.00 40.01 C ATOM 118 CG LEU A 587 -14.355 1.310 -0.108 1.00 35.24 C ATOM 119 CD1 LEU A 587 -14.185 -0.155 0.218 1.00 73.35 C ATOM 120 CD2 LEU A 587 -15.218 1.989 0.923 1.00 32.44 C ATOM 0 H LEU A 587 -10.978 0.151 -0.660 1.00 74.30 H new ATOM 0 HA LEU A 587 -12.772 1.746 -2.345 1.00 4.14 H new ATOM 0 HB2 LEU A 587 -12.421 1.868 0.646 1.00 40.01 H new ATOM 0 HB3 LEU A 587 -13.202 3.112 -0.309 1.00 40.01 H new ATOM 0 HG LEU A 587 -14.855 1.365 -1.075 1.00 35.24 H new ATOM 0 HD11 LEU A 587 -15.165 -0.622 0.314 1.00 73.35 H new ATOM 0 HD12 LEU A 587 -13.627 -0.643 -0.581 1.00 73.35 H new ATOM 0 HD13 LEU A 587 -13.640 -0.258 1.156 1.00 73.35 H new ATOM 0 HD21 LEU A 587 -16.165 1.456 1.013 1.00 32.44 H new ATOM 0 HD22 LEU A 587 -14.707 1.985 1.886 1.00 32.44 H new ATOM 0 HD23 LEU A 587 -15.408 3.018 0.618 1.00 32.44 H new ATOM 132 N THR A 588 -11.101 3.538 -2.423 1.00 70.51 N ATOM 133 CA THR A 588 -10.046 4.461 -2.640 1.00 11.12 C ATOM 134 C THR A 588 -10.414 5.806 -2.059 1.00 3.04 C ATOM 135 O THR A 588 -11.506 6.337 -2.313 1.00 2.43 O ATOM 136 CB THR A 588 -9.703 4.587 -4.141 1.00 62.44 C ATOM 137 OG1 THR A 588 -9.417 3.280 -4.673 1.00 1.44 O ATOM 138 CG2 THR A 588 -8.480 5.472 -4.334 1.00 61.13 C ATOM 0 H THR A 588 -11.942 3.709 -2.975 1.00 70.51 H new ATOM 0 HA THR A 588 -9.155 4.087 -2.135 1.00 11.12 H new ATOM 0 HB THR A 588 -10.553 5.031 -4.659 1.00 62.44 H new ATOM 0 HG1 THR A 588 -8.774 3.360 -5.409 1.00 1.44 H new ATOM 0 HG21 THR A 588 -8.252 5.550 -5.397 1.00 61.13 H new ATOM 0 HG22 THR A 588 -8.682 6.465 -3.932 1.00 61.13 H new ATOM 0 HG23 THR A 588 -7.629 5.035 -3.811 1.00 61.13 H new ATOM 146 N PHE A 589 -9.540 6.322 -1.253 1.00 51.43 N ATOM 147 CA PHE A 589 -9.715 7.602 -0.644 1.00 20.40 C ATOM 148 C PHE A 589 -8.545 8.477 -0.971 1.00 13.41 C ATOM 149 O PHE A 589 -7.409 8.026 -0.939 1.00 52.40 O ATOM 150 CB PHE A 589 -9.841 7.466 0.873 1.00 52.00 C ATOM 151 CG PHE A 589 -11.057 6.719 1.264 1.00 4.23 C ATOM 152 CD1 PHE A 589 -12.284 7.232 0.956 1.00 74.15 C ATOM 153 CD2 PHE A 589 -10.981 5.510 1.925 1.00 43.02 C ATOM 154 CE1 PHE A 589 -13.421 6.579 1.285 1.00 24.52 C ATOM 155 CE2 PHE A 589 -12.129 4.832 2.268 1.00 32.40 C ATOM 156 CZ PHE A 589 -13.360 5.368 1.945 1.00 71.42 C ATOM 0 H PHE A 589 -8.670 5.857 -0.996 1.00 51.43 H new ATOM 0 HA PHE A 589 -10.631 8.049 -1.032 1.00 20.40 H new ATOM 0 HB2 PHE A 589 -8.961 6.957 1.266 1.00 52.00 H new ATOM 0 HB3 PHE A 589 -9.864 8.458 1.325 1.00 52.00 H new ATOM 0 HD1 PHE A 589 -12.348 8.178 0.439 1.00 74.15 H new ATOM 0 HD2 PHE A 589 -10.016 5.094 2.174 1.00 43.02 H new ATOM 0 HE1 PHE A 589 -14.380 7.006 1.031 1.00 24.52 H new ATOM 0 HE2 PHE A 589 -12.067 3.887 2.787 1.00 32.40 H new ATOM 0 HZ PHE A 589 -14.268 4.844 2.207 1.00 71.42 H new ATOM 166 N GLU A 590 -8.803 9.687 -1.320 1.00 72.05 N ATOM 167 CA GLU A 590 -7.762 10.629 -1.558 1.00 41.32 C ATOM 168 C GLU A 590 -7.807 11.669 -0.479 1.00 12.32 C ATOM 169 O GLU A 590 -8.871 12.148 -0.121 1.00 42.21 O ATOM 170 CB GLU A 590 -7.835 11.236 -2.957 1.00 55.35 C ATOM 171 CG GLU A 590 -7.636 10.213 -4.065 1.00 70.03 C ATOM 172 CD GLU A 590 -7.615 10.826 -5.437 1.00 35.05 C ATOM 173 OE1 GLU A 590 -6.537 11.210 -5.909 1.00 50.24 O ATOM 174 OE2 GLU A 590 -8.681 10.927 -6.069 1.00 65.34 O ATOM 0 H GLU A 590 -9.745 10.056 -1.450 1.00 72.05 H new ATOM 0 HA GLU A 590 -6.800 10.118 -1.523 1.00 41.32 H new ATOM 0 HB2 GLU A 590 -8.804 11.719 -3.087 1.00 55.35 H new ATOM 0 HB3 GLU A 590 -7.077 12.014 -3.049 1.00 55.35 H new ATOM 0 HG2 GLU A 590 -6.699 9.682 -3.897 1.00 70.03 H new ATOM 0 HG3 GLU A 590 -8.435 9.473 -4.016 1.00 70.03 H new ATOM 181 N VAL A 591 -6.677 11.981 0.048 1.00 33.30 N ATOM 182 CA VAL A 591 -6.555 12.848 1.189 1.00 51.33 C ATOM 183 C VAL A 591 -5.603 13.979 0.868 1.00 61.54 C ATOM 184 O VAL A 591 -4.450 13.744 0.577 1.00 43.43 O ATOM 185 CB VAL A 591 -5.998 12.034 2.400 1.00 4.24 C ATOM 186 CG1 VAL A 591 -5.792 12.912 3.618 1.00 31.11 C ATOM 187 CG2 VAL A 591 -6.935 10.894 2.745 1.00 54.35 C ATOM 0 H VAL A 591 -5.783 11.637 -0.303 1.00 33.30 H new ATOM 0 HA VAL A 591 -7.534 13.257 1.439 1.00 51.33 H new ATOM 0 HB VAL A 591 -5.029 11.632 2.104 1.00 4.24 H new ATOM 0 HG11 VAL A 591 -5.404 12.310 4.439 1.00 31.11 H new ATOM 0 HG12 VAL A 591 -5.081 13.703 3.380 1.00 31.11 H new ATOM 0 HG13 VAL A 591 -6.743 13.356 3.912 1.00 31.11 H new ATOM 0 HG21 VAL A 591 -6.533 10.336 3.591 1.00 54.35 H new ATOM 0 HG22 VAL A 591 -7.914 11.295 3.007 1.00 54.35 H new ATOM 0 HG23 VAL A 591 -7.032 10.230 1.886 1.00 54.35 H new ATOM 197 N PRO A 592 -6.059 15.210 0.885 1.00 11.31 N ATOM 198 CA PRO A 592 -5.192 16.332 0.634 1.00 3.43 C ATOM 199 C PRO A 592 -4.324 16.613 1.846 1.00 42.50 C ATOM 200 O PRO A 592 -4.732 16.372 2.989 1.00 74.44 O ATOM 201 CB PRO A 592 -6.152 17.481 0.378 1.00 73.42 C ATOM 202 CG PRO A 592 -7.375 17.121 1.129 1.00 54.14 C ATOM 203 CD PRO A 592 -7.446 15.619 1.150 1.00 51.14 C ATOM 0 HA PRO A 592 -4.508 16.164 -0.198 1.00 3.43 H new ATOM 0 HB2 PRO A 592 -5.738 18.428 0.725 1.00 73.42 H new ATOM 0 HB3 PRO A 592 -6.359 17.595 -0.686 1.00 73.42 H new ATOM 0 HG2 PRO A 592 -7.338 17.520 2.143 1.00 54.14 H new ATOM 0 HG3 PRO A 592 -8.260 17.543 0.652 1.00 54.14 H new ATOM 0 HD2 PRO A 592 -7.798 15.247 2.112 1.00 51.14 H new ATOM 0 HD3 PRO A 592 -8.129 15.238 0.391 1.00 51.14 H new ATOM 211 N LEU A 593 -3.139 17.092 1.619 1.00 13.41 N ATOM 212 CA LEU A 593 -2.258 17.414 2.711 1.00 71.31 C ATOM 213 C LEU A 593 -2.635 18.741 3.310 1.00 2.32 C ATOM 214 O LEU A 593 -2.110 19.790 2.940 1.00 32.20 O ATOM 215 CB LEU A 593 -0.748 17.335 2.355 1.00 74.23 C ATOM 216 CG LEU A 593 -0.123 15.922 2.171 1.00 42.31 C ATOM 217 CD1 LEU A 593 -0.229 15.106 3.449 1.00 11.25 C ATOM 218 CD2 LEU A 593 -0.741 15.166 1.012 1.00 44.43 C ATOM 0 H LEU A 593 -2.756 17.270 0.691 1.00 13.41 H new ATOM 0 HA LEU A 593 -2.398 16.638 3.464 1.00 71.31 H new ATOM 0 HB2 LEU A 593 -0.591 17.894 1.433 1.00 74.23 H new ATOM 0 HB3 LEU A 593 -0.191 17.849 3.138 1.00 74.23 H new ATOM 0 HG LEU A 593 0.931 16.075 1.938 1.00 42.31 H new ATOM 0 HD11 LEU A 593 0.216 14.123 3.291 1.00 11.25 H new ATOM 0 HD12 LEU A 593 0.299 15.619 4.253 1.00 11.25 H new ATOM 0 HD13 LEU A 593 -1.278 14.990 3.721 1.00 11.25 H new ATOM 0 HD21 LEU A 593 -0.271 14.186 0.925 1.00 44.43 H new ATOM 0 HD22 LEU A 593 -1.810 15.042 1.187 1.00 44.43 H new ATOM 0 HD23 LEU A 593 -0.587 15.725 0.089 1.00 44.43 H new ATOM 230 N ASN A 594 -3.611 18.675 4.176 1.00 54.11 N ATOM 231 CA ASN A 594 -4.146 19.847 4.884 1.00 74.43 C ATOM 232 C ASN A 594 -3.218 20.286 6.007 1.00 4.03 C ATOM 233 O ASN A 594 -2.029 19.934 6.023 1.00 31.11 O ATOM 234 CB ASN A 594 -5.541 19.545 5.458 1.00 42.43 C ATOM 235 CG ASN A 594 -6.609 19.313 4.412 1.00 3.44 C ATOM 236 OD1 ASN A 594 -6.551 19.853 3.296 1.00 64.10 O ATOM 237 ND2 ASN A 594 -7.609 18.553 4.768 1.00 30.14 N ATOM 0 H ASN A 594 -4.075 17.801 4.425 1.00 54.11 H new ATOM 0 HA ASN A 594 -4.223 20.658 4.160 1.00 74.43 H new ATOM 0 HB2 ASN A 594 -5.475 18.663 6.095 1.00 42.43 H new ATOM 0 HB3 ASN A 594 -5.847 20.376 6.094 1.00 42.43 H new ATOM 0 HD21 ASN A 594 -8.378 18.386 4.120 1.00 30.14 H new ATOM 0 HD22 ASN A 594 -7.621 18.126 5.694 1.00 30.14 H new ATOM 244 N ASP A 595 -3.754 21.059 6.952 1.00 2.42 N ATOM 245 CA ASP A 595 -2.983 21.554 8.067 1.00 64.23 C ATOM 246 C ASP A 595 -2.798 20.487 9.098 1.00 44.34 C ATOM 247 O ASP A 595 -3.494 20.438 10.116 1.00 40.44 O ATOM 248 CB ASP A 595 -3.582 22.819 8.695 1.00 10.43 C ATOM 249 CG ASP A 595 -3.569 24.005 7.772 1.00 43.40 C ATOM 250 OD1 ASP A 595 -2.552 24.712 7.723 1.00 61.51 O ATOM 251 OD2 ASP A 595 -4.584 24.256 7.090 1.00 73.25 O ATOM 0 H ASP A 595 -4.731 21.352 6.957 1.00 2.42 H new ATOM 0 HA ASP A 595 -2.008 21.836 7.670 1.00 64.23 H new ATOM 0 HB2 ASP A 595 -4.609 22.614 8.998 1.00 10.43 H new ATOM 0 HB3 ASP A 595 -3.026 23.065 9.600 1.00 10.43 H new ATOM 256 N SER A 596 -1.941 19.590 8.774 1.00 14.32 N ATOM 257 CA SER A 596 -1.554 18.540 9.618 1.00 53.34 C ATOM 258 C SER A 596 -0.127 18.760 10.068 1.00 20.42 C ATOM 259 O SER A 596 0.094 19.251 11.180 1.00 24.52 O ATOM 260 CB SER A 596 -1.809 17.198 8.912 1.00 63.10 C ATOM 261 OG SER A 596 -1.279 17.193 7.582 1.00 11.05 O ATOM 0 H SER A 596 -1.473 19.574 7.868 1.00 14.32 H new ATOM 0 HA SER A 596 -2.152 18.514 10.529 1.00 53.34 H new ATOM 0 HB2 SER A 596 -1.356 16.391 9.488 1.00 63.10 H new ATOM 0 HB3 SER A 596 -2.881 17.002 8.878 1.00 63.10 H new ATOM 0 HG SER A 596 -1.397 16.304 7.186 1.00 11.05 H new ATOM 267 N GLY A 597 0.831 18.471 9.216 1.00 71.31 N ATOM 268 CA GLY A 597 2.228 18.690 9.554 1.00 41.05 C ATOM 269 C GLY A 597 2.742 17.681 10.559 1.00 52.33 C ATOM 270 O GLY A 597 3.646 16.894 10.260 1.00 22.54 O ATOM 0 H GLY A 597 0.674 18.085 8.285 1.00 71.31 H new ATOM 0 HA2 GLY A 597 2.831 18.636 8.648 1.00 41.05 H new ATOM 0 HA3 GLY A 597 2.348 19.695 9.958 1.00 41.05 H new ATOM 274 N SER A 598 2.173 17.704 11.749 1.00 35.01 N ATOM 275 CA SER A 598 2.508 16.767 12.779 1.00 72.04 C ATOM 276 C SER A 598 1.948 15.414 12.443 1.00 15.04 C ATOM 277 O SER A 598 2.499 14.374 12.825 1.00 42.13 O ATOM 278 CB SER A 598 2.088 17.282 14.147 1.00 42.40 C ATOM 279 OG SER A 598 0.746 17.743 14.117 1.00 13.14 O ATOM 0 H SER A 598 1.461 18.382 12.020 1.00 35.01 H new ATOM 0 HA SER A 598 3.591 16.654 12.832 1.00 72.04 H new ATOM 0 HB2 SER A 598 2.189 16.488 14.887 1.00 42.40 H new ATOM 0 HB3 SER A 598 2.749 18.092 14.456 1.00 42.40 H new ATOM 0 HG SER A 598 0.492 18.069 15.006 1.00 13.14 H new ATOM 285 N ALA A 599 0.876 15.430 11.720 1.00 53.23 N ATOM 286 CA ALA A 599 0.356 14.291 11.159 1.00 42.30 C ATOM 287 C ALA A 599 0.444 14.506 9.678 1.00 75.31 C ATOM 288 O ALA A 599 0.680 15.614 9.231 1.00 60.35 O ATOM 289 CB ALA A 599 -1.081 14.111 11.591 1.00 64.43 C ATOM 0 H ALA A 599 0.345 16.276 11.515 1.00 53.23 H new ATOM 0 HA ALA A 599 0.894 13.395 11.467 1.00 42.30 H new ATOM 0 HB1 ALA A 599 -1.485 13.204 11.141 1.00 64.43 H new ATOM 0 HB2 ALA A 599 -1.127 14.029 12.677 1.00 64.43 H new ATOM 0 HB3 ALA A 599 -1.669 14.970 11.267 1.00 64.43 H new ATOM 295 N GLY A 600 0.309 13.502 8.958 1.00 55.01 N ATOM 296 CA GLY A 600 0.268 13.627 7.535 1.00 24.45 C ATOM 297 C GLY A 600 -1.152 13.586 7.113 1.00 44.43 C ATOM 298 O GLY A 600 -1.708 14.564 6.596 1.00 43.34 O ATOM 0 H GLY A 600 0.220 12.548 9.308 1.00 55.01 H new ATOM 0 HA2 GLY A 600 0.732 14.562 7.221 1.00 24.45 H new ATOM 0 HA3 GLY A 600 0.829 12.819 7.065 1.00 24.45 H new ATOM 302 N LEU A 601 -1.752 12.472 7.391 1.00 32.40 N ATOM 303 CA LEU A 601 -3.133 12.225 7.141 1.00 24.12 C ATOM 304 C LEU A 601 -3.871 12.323 8.452 1.00 62.43 C ATOM 305 O LEU A 601 -5.041 12.706 8.496 1.00 32.54 O ATOM 306 CB LEU A 601 -3.338 10.811 6.549 1.00 13.22 C ATOM 307 CG LEU A 601 -2.841 10.556 5.101 1.00 50.53 C ATOM 308 CD1 LEU A 601 -1.346 10.693 4.966 1.00 22.02 C ATOM 309 CD2 LEU A 601 -3.279 9.195 4.625 1.00 65.11 C ATOM 0 H LEU A 601 -1.272 11.679 7.816 1.00 32.40 H new ATOM 0 HA LEU A 601 -3.508 12.956 6.425 1.00 24.12 H new ATOM 0 HB2 LEU A 601 -2.840 10.097 7.205 1.00 13.22 H new ATOM 0 HB3 LEU A 601 -4.404 10.585 6.583 1.00 13.22 H new ATOM 0 HG LEU A 601 -3.293 11.325 4.475 1.00 50.53 H new ATOM 0 HD11 LEU A 601 -1.055 10.504 3.933 1.00 22.02 H new ATOM 0 HD12 LEU A 601 -1.046 11.702 5.249 1.00 22.02 H new ATOM 0 HD13 LEU A 601 -0.854 9.972 5.619 1.00 22.02 H new ATOM 0 HD21 LEU A 601 -2.922 9.033 3.608 1.00 65.11 H new ATOM 0 HD22 LEU A 601 -2.865 8.429 5.281 1.00 65.11 H new ATOM 0 HD23 LEU A 601 -4.367 9.137 4.641 1.00 65.11 H new ATOM 321 N GLY A 602 -3.161 11.968 9.510 1.00 23.53 N ATOM 322 CA GLY A 602 -3.671 11.963 10.820 1.00 74.21 C ATOM 323 C GLY A 602 -4.409 10.692 11.061 1.00 42.23 C ATOM 324 O GLY A 602 -5.579 10.675 11.413 1.00 2.40 O ATOM 0 H GLY A 602 -2.187 11.671 9.451 1.00 23.53 H new ATOM 0 HA2 GLY A 602 -2.858 12.066 11.539 1.00 74.21 H new ATOM 0 HA3 GLY A 602 -4.335 12.815 10.966 1.00 74.21 H new ATOM 328 N VAL A 603 -3.714 9.603 10.805 1.00 32.33 N ATOM 329 CA VAL A 603 -4.222 8.279 11.037 1.00 21.23 C ATOM 330 C VAL A 603 -3.102 7.492 11.688 1.00 12.31 C ATOM 331 O VAL A 603 -1.931 7.813 11.509 1.00 42.23 O ATOM 332 CB VAL A 603 -4.577 7.553 9.690 1.00 64.32 C ATOM 333 CG1 VAL A 603 -5.319 6.259 9.924 1.00 4.21 C ATOM 334 CG2 VAL A 603 -5.326 8.444 8.727 1.00 0.41 C ATOM 0 H VAL A 603 -2.768 9.620 10.425 1.00 32.33 H new ATOM 0 HA VAL A 603 -5.122 8.341 11.649 1.00 21.23 H new ATOM 0 HB VAL A 603 -3.624 7.309 9.221 1.00 64.32 H new ATOM 0 HG11 VAL A 603 -5.544 5.790 8.966 1.00 4.21 H new ATOM 0 HG12 VAL A 603 -4.701 5.588 10.520 1.00 4.21 H new ATOM 0 HG13 VAL A 603 -6.248 6.464 10.455 1.00 4.21 H new ATOM 0 HG21 VAL A 603 -5.545 7.890 7.814 1.00 0.41 H new ATOM 0 HG22 VAL A 603 -6.259 8.772 9.185 1.00 0.41 H new ATOM 0 HG23 VAL A 603 -4.715 9.314 8.486 1.00 0.41 H new ATOM 344 N SER A 604 -3.433 6.510 12.445 1.00 42.20 N ATOM 345 CA SER A 604 -2.452 5.631 12.969 1.00 31.03 C ATOM 346 C SER A 604 -2.677 4.280 12.364 1.00 3.24 C ATOM 347 O SER A 604 -3.827 3.798 12.306 1.00 33.03 O ATOM 348 CB SER A 604 -2.537 5.553 14.491 1.00 3.31 C ATOM 349 OG SER A 604 -2.409 6.843 15.058 1.00 51.24 O ATOM 0 H SER A 604 -4.391 6.293 12.719 1.00 42.20 H new ATOM 0 HA SER A 604 -1.457 6.000 12.721 1.00 31.03 H new ATOM 0 HB2 SER A 604 -3.489 5.112 14.786 1.00 3.31 H new ATOM 0 HB3 SER A 604 -1.751 4.901 14.873 1.00 3.31 H new ATOM 0 HG SER A 604 -2.467 6.779 16.034 1.00 51.24 H new ATOM 355 N VAL A 605 -1.636 3.687 11.906 1.00 2.04 N ATOM 356 CA VAL A 605 -1.686 2.384 11.347 1.00 61.33 C ATOM 357 C VAL A 605 -0.728 1.461 12.039 1.00 44.11 C ATOM 358 O VAL A 605 0.182 1.892 12.711 1.00 54.14 O ATOM 359 CB VAL A 605 -1.416 2.349 9.837 1.00 10.42 C ATOM 360 CG1 VAL A 605 -2.597 2.879 9.055 1.00 5.40 C ATOM 361 CG2 VAL A 605 -0.156 3.132 9.461 1.00 31.44 C ATOM 0 H VAL A 605 -0.704 4.102 11.909 1.00 2.04 H new ATOM 0 HA VAL A 605 -2.711 2.046 11.502 1.00 61.33 H new ATOM 0 HB VAL A 605 -1.258 1.303 9.575 1.00 10.42 H new ATOM 0 HG11 VAL A 605 -2.374 2.841 7.989 1.00 5.40 H new ATOM 0 HG12 VAL A 605 -3.475 2.268 9.264 1.00 5.40 H new ATOM 0 HG13 VAL A 605 -2.794 3.910 9.348 1.00 5.40 H new ATOM 0 HG21 VAL A 605 -0.004 3.080 8.383 1.00 31.44 H new ATOM 0 HG22 VAL A 605 -0.272 4.173 9.762 1.00 31.44 H new ATOM 0 HG23 VAL A 605 0.706 2.701 9.970 1.00 31.44 H new ATOM 371 N LYS A 606 -0.968 0.219 11.900 1.00 15.24 N ATOM 372 CA LYS A 606 -0.143 -0.822 12.492 1.00 1.24 C ATOM 373 C LYS A 606 -0.195 -2.039 11.626 1.00 41.13 C ATOM 374 O LYS A 606 -1.148 -2.225 10.884 1.00 34.12 O ATOM 375 CB LYS A 606 -0.546 -1.190 13.921 1.00 1.33 C ATOM 376 CG LYS A 606 -1.944 -1.759 14.037 1.00 51.21 C ATOM 377 CD LYS A 606 -2.215 -2.259 15.431 1.00 11.20 C ATOM 378 CE LYS A 606 -3.589 -2.891 15.523 1.00 1.22 C ATOM 379 NZ LYS A 606 -3.862 -3.444 16.862 1.00 34.11 N ATOM 0 H LYS A 606 -1.757 -0.140 11.363 1.00 15.24 H new ATOM 0 HA LYS A 606 0.870 -0.425 12.553 1.00 1.24 H new ATOM 0 HB2 LYS A 606 0.165 -1.917 14.313 1.00 1.33 H new ATOM 0 HB3 LYS A 606 -0.472 -0.302 14.549 1.00 1.33 H new ATOM 0 HG2 LYS A 606 -2.674 -0.993 13.774 1.00 51.21 H new ATOM 0 HG3 LYS A 606 -2.068 -2.575 13.325 1.00 51.21 H new ATOM 0 HD2 LYS A 606 -1.456 -2.988 15.714 1.00 11.20 H new ATOM 0 HD3 LYS A 606 -2.143 -1.433 16.138 1.00 11.20 H new ATOM 0 HE2 LYS A 606 -4.346 -2.146 15.279 1.00 1.22 H new ATOM 0 HE3 LYS A 606 -3.672 -3.685 14.781 1.00 1.22 H new ATOM 0 HZ1 LYS A 606 -4.813 -3.865 16.876 1.00 34.11 H new ATOM 0 HZ2 LYS A 606 -3.156 -4.174 17.087 1.00 34.11 H new ATOM 0 HZ3 LYS A 606 -3.810 -2.683 17.569 1.00 34.11 H new ATOM 393 N GLY A 607 0.795 -2.851 11.690 1.00 54.21 N ATOM 394 CA GLY A 607 0.775 -4.018 10.881 1.00 50.34 C ATOM 395 C GLY A 607 0.441 -5.234 11.682 1.00 11.53 C ATOM 396 O GLY A 607 1.081 -5.523 12.684 1.00 70.41 O ATOM 0 H GLY A 607 1.617 -2.736 12.282 1.00 54.21 H new ATOM 0 HA2 GLY A 607 0.044 -3.895 10.082 1.00 50.34 H new ATOM 0 HA3 GLY A 607 1.747 -4.150 10.406 1.00 50.34 H new ATOM 400 N ASN A 608 -0.567 -5.937 11.235 1.00 25.22 N ATOM 401 CA ASN A 608 -1.040 -7.132 11.898 1.00 63.15 C ATOM 402 C ASN A 608 -0.361 -8.312 11.225 1.00 4.23 C ATOM 403 O ASN A 608 -0.343 -8.412 9.987 1.00 45.13 O ATOM 404 CB ASN A 608 -2.577 -7.226 11.743 1.00 11.12 C ATOM 405 CG ASN A 608 -3.301 -8.325 12.553 1.00 72.23 C ATOM 406 OD1 ASN A 608 -4.468 -8.152 12.911 1.00 3.13 O ATOM 407 ND2 ASN A 608 -2.656 -9.437 12.830 1.00 22.41 N ATOM 0 H ASN A 608 -1.090 -5.697 10.393 1.00 25.22 H new ATOM 0 HA ASN A 608 -0.807 -7.120 12.963 1.00 63.15 H new ATOM 0 HB2 ASN A 608 -3.005 -6.263 12.022 1.00 11.12 H new ATOM 0 HB3 ASN A 608 -2.802 -7.380 10.688 1.00 11.12 H new ATOM 0 HD21 ASN A 608 -3.121 -10.180 13.352 1.00 22.41 H new ATOM 0 HD22 ASN A 608 -1.691 -9.557 12.523 1.00 22.41 H new ATOM 414 N ARG A 609 0.207 -9.170 12.006 1.00 43.32 N ATOM 415 CA ARG A 609 0.923 -10.306 11.502 1.00 14.20 C ATOM 416 C ARG A 609 0.539 -11.563 12.241 1.00 12.42 C ATOM 417 O ARG A 609 0.508 -11.590 13.473 1.00 74.13 O ATOM 418 CB ARG A 609 2.433 -10.027 11.541 1.00 21.44 C ATOM 419 CG ARG A 609 3.351 -11.208 11.269 1.00 43.54 C ATOM 420 CD ARG A 609 4.800 -10.739 11.109 1.00 41.50 C ATOM 421 NE ARG A 609 5.210 -9.771 12.157 1.00 3.01 N ATOM 422 CZ ARG A 609 6.480 -9.524 12.542 1.00 50.52 C ATOM 423 NH1 ARG A 609 7.485 -10.271 12.093 1.00 25.12 N ATOM 424 NH2 ARG A 609 6.739 -8.531 13.383 1.00 70.33 N ATOM 0 H ARG A 609 0.190 -9.106 13.024 1.00 43.32 H new ATOM 0 HA ARG A 609 0.648 -10.474 10.461 1.00 14.20 H new ATOM 0 HB2 ARG A 609 2.654 -9.248 10.811 1.00 21.44 H new ATOM 0 HB3 ARG A 609 2.680 -9.623 12.523 1.00 21.44 H new ATOM 0 HG2 ARG A 609 3.283 -11.924 12.088 1.00 43.54 H new ATOM 0 HG3 ARG A 609 3.029 -11.725 10.365 1.00 43.54 H new ATOM 0 HD2 ARG A 609 5.463 -11.604 11.140 1.00 41.50 H new ATOM 0 HD3 ARG A 609 4.922 -10.279 10.128 1.00 41.50 H new ATOM 0 HE ARG A 609 4.470 -9.249 12.626 1.00 3.01 H new ATOM 0 HH11 ARG A 609 7.300 -11.041 11.450 1.00 25.12 H new ATOM 0 HH12 ARG A 609 8.440 -10.074 12.392 1.00 25.12 H new ATOM 0 HH21 ARG A 609 5.978 -7.953 13.740 1.00 70.33 H new ATOM 0 HH22 ARG A 609 7.699 -8.346 13.673 1.00 70.33 H new ATOM 438 N SER A 610 0.216 -12.573 11.490 1.00 53.42 N ATOM 439 CA SER A 610 -0.146 -13.847 12.031 1.00 65.35 C ATOM 440 C SER A 610 1.117 -14.663 12.245 1.00 43.32 C ATOM 441 O SER A 610 1.813 -15.015 11.290 1.00 40.14 O ATOM 442 CB SER A 610 -1.090 -14.539 11.067 1.00 4.12 C ATOM 443 OG SER A 610 -2.242 -13.746 10.844 1.00 5.10 O ATOM 0 H SER A 610 0.197 -12.534 10.471 1.00 53.42 H new ATOM 0 HA SER A 610 -0.653 -13.734 12.989 1.00 65.35 H new ATOM 0 HB2 SER A 610 -0.581 -14.725 10.121 1.00 4.12 H new ATOM 0 HB3 SER A 610 -1.382 -15.510 11.468 1.00 4.12 H new ATOM 0 HG SER A 610 -3.007 -14.327 10.650 1.00 5.10 H new ATOM 518 N ALA A 615 2.697 -15.337 8.452 1.00 21.02 N ATOM 519 CA ALA A 615 2.373 -14.460 7.366 1.00 72.00 C ATOM 520 C ALA A 615 1.745 -13.200 7.896 1.00 41.22 C ATOM 521 O ALA A 615 0.972 -13.236 8.860 1.00 71.41 O ATOM 522 CB ALA A 615 1.419 -15.146 6.404 1.00 55.32 C ATOM 0 HA ALA A 615 3.290 -14.207 6.833 1.00 72.00 H new ATOM 0 HB1 ALA A 615 1.181 -14.469 5.583 1.00 55.32 H new ATOM 0 HB2 ALA A 615 1.888 -16.047 6.007 1.00 55.32 H new ATOM 0 HB3 ALA A 615 0.503 -15.415 6.930 1.00 55.32 H new ATOM 528 N ASP A 616 2.076 -12.099 7.297 1.00 52.35 N ATOM 529 CA ASP A 616 1.490 -10.836 7.671 1.00 22.32 C ATOM 530 C ASP A 616 0.122 -10.712 7.066 1.00 75.31 C ATOM 531 O ASP A 616 -0.179 -11.329 6.035 1.00 1.34 O ATOM 532 CB ASP A 616 2.350 -9.650 7.231 1.00 0.34 C ATOM 533 CG ASP A 616 2.531 -9.561 5.733 1.00 32.33 C ATOM 534 OD1 ASP A 616 3.472 -10.204 5.205 1.00 20.14 O ATOM 535 OD2 ASP A 616 1.751 -8.856 5.070 1.00 24.05 O ATOM 0 H ASP A 616 2.755 -12.043 6.538 1.00 52.35 H new ATOM 0 HA ASP A 616 1.424 -10.815 8.759 1.00 22.32 H new ATOM 0 HB2 ASP A 616 1.894 -8.727 7.590 1.00 0.34 H new ATOM 0 HB3 ASP A 616 3.329 -9.726 7.704 1.00 0.34 H new ATOM 540 N LEU A 617 -0.711 -9.952 7.705 1.00 63.44 N ATOM 541 CA LEU A 617 -2.032 -9.700 7.205 1.00 4.11 C ATOM 542 C LEU A 617 -2.040 -8.339 6.538 1.00 51.25 C ATOM 543 O LEU A 617 -3.033 -7.924 5.941 1.00 61.14 O ATOM 544 CB LEU A 617 -3.046 -9.744 8.348 1.00 53.04 C ATOM 545 CG LEU A 617 -3.121 -11.048 9.139 1.00 41.10 C ATOM 546 CD1 LEU A 617 -4.191 -10.955 10.211 1.00 61.30 C ATOM 547 CD2 LEU A 617 -3.384 -12.233 8.216 1.00 1.24 C ATOM 0 H LEU A 617 -0.498 -9.488 8.588 1.00 63.44 H new ATOM 0 HA LEU A 617 -2.310 -10.466 6.481 1.00 4.11 H new ATOM 0 HB2 LEU A 617 -2.814 -8.936 9.042 1.00 53.04 H new ATOM 0 HB3 LEU A 617 -4.034 -9.537 7.937 1.00 53.04 H new ATOM 0 HG LEU A 617 -2.158 -11.209 9.624 1.00 41.10 H new ATOM 0 HD11 LEU A 617 -4.232 -11.892 10.766 1.00 61.30 H new ATOM 0 HD12 LEU A 617 -3.952 -10.139 10.893 1.00 61.30 H new ATOM 0 HD13 LEU A 617 -5.158 -10.767 9.745 1.00 61.30 H new ATOM 0 HD21 LEU A 617 -3.433 -13.149 8.805 1.00 1.24 H new ATOM 0 HD22 LEU A 617 -4.330 -12.086 7.695 1.00 1.24 H new ATOM 0 HD23 LEU A 617 -2.577 -12.313 7.487 1.00 1.24 H new ATOM 559 N GLY A 618 -0.914 -7.663 6.655 1.00 71.43 N ATOM 560 CA GLY A 618 -0.739 -6.360 6.071 1.00 30.53 C ATOM 561 C GLY A 618 -0.804 -5.262 7.101 1.00 55.43 C ATOM 562 O GLY A 618 -0.725 -5.519 8.314 1.00 34.34 O ATOM 0 H GLY A 618 -0.097 -8.008 7.160 1.00 71.43 H new ATOM 0 HA2 GLY A 618 0.222 -6.319 5.559 1.00 30.53 H new ATOM 0 HA3 GLY A 618 -1.509 -6.195 5.317 1.00 30.53 H new ATOM 566 N ILE A 619 -0.932 -4.047 6.632 1.00 74.11 N ATOM 567 CA ILE A 619 -1.006 -2.887 7.492 1.00 34.41 C ATOM 568 C ILE A 619 -2.474 -2.507 7.665 1.00 45.33 C ATOM 569 O ILE A 619 -3.216 -2.482 6.692 1.00 64.02 O ATOM 570 CB ILE A 619 -0.222 -1.688 6.870 1.00 53.13 C ATOM 571 CG1 ILE A 619 1.235 -2.089 6.547 1.00 12.40 C ATOM 572 CG2 ILE A 619 -0.231 -0.489 7.807 1.00 10.44 C ATOM 573 CD1 ILE A 619 2.054 -2.534 7.748 1.00 74.40 C ATOM 0 H ILE A 619 -0.988 -3.830 5.637 1.00 74.11 H new ATOM 0 HA ILE A 619 -0.558 -3.122 8.457 1.00 34.41 H new ATOM 0 HB ILE A 619 -0.723 -1.412 5.942 1.00 53.13 H new ATOM 0 HG12 ILE A 619 1.221 -2.896 5.815 1.00 12.40 H new ATOM 0 HG13 ILE A 619 1.735 -1.242 6.078 1.00 12.40 H new ATOM 0 HG21 ILE A 619 0.321 0.333 7.351 1.00 10.44 H new ATOM 0 HG22 ILE A 619 -1.260 -0.178 7.990 1.00 10.44 H new ATOM 0 HG23 ILE A 619 0.239 -0.762 8.752 1.00 10.44 H new ATOM 0 HD11 ILE A 619 3.062 -2.795 7.425 1.00 74.40 H new ATOM 0 HD12 ILE A 619 2.105 -1.723 8.474 1.00 74.40 H new ATOM 0 HD13 ILE A 619 1.583 -3.403 8.207 1.00 74.40 H new ATOM 585 N PHE A 620 -2.886 -2.247 8.881 1.00 75.34 N ATOM 586 CA PHE A 620 -4.267 -1.906 9.182 1.00 4.52 C ATOM 587 C PHE A 620 -4.346 -0.619 9.978 1.00 41.11 C ATOM 588 O PHE A 620 -3.408 -0.262 10.696 1.00 54.12 O ATOM 589 CB PHE A 620 -4.951 -3.005 10.005 1.00 22.14 C ATOM 590 CG PHE A 620 -5.092 -4.343 9.341 1.00 12.11 C ATOM 591 CD1 PHE A 620 -4.045 -5.241 9.346 1.00 52.51 C ATOM 592 CD2 PHE A 620 -6.295 -4.721 8.746 1.00 24.44 C ATOM 593 CE1 PHE A 620 -4.184 -6.479 8.767 1.00 20.31 C ATOM 594 CE2 PHE A 620 -6.435 -5.967 8.178 1.00 2.24 C ATOM 595 CZ PHE A 620 -5.379 -6.845 8.187 1.00 24.42 C ATOM 0 H PHE A 620 -2.276 -2.264 9.698 1.00 75.34 H new ATOM 0 HA PHE A 620 -4.774 -1.792 8.224 1.00 4.52 H new ATOM 0 HB2 PHE A 620 -4.390 -3.139 10.930 1.00 22.14 H new ATOM 0 HB3 PHE A 620 -5.945 -2.655 10.284 1.00 22.14 H new ATOM 0 HD1 PHE A 620 -3.108 -4.969 9.809 1.00 52.51 H new ATOM 0 HD2 PHE A 620 -7.125 -4.030 8.731 1.00 24.44 H new ATOM 0 HE1 PHE A 620 -3.353 -7.169 8.766 1.00 20.31 H new ATOM 0 HE2 PHE A 620 -7.373 -6.254 7.726 1.00 2.24 H new ATOM 0 HZ PHE A 620 -5.485 -7.822 7.740 1.00 24.42 H new ATOM 605 N VAL A 621 -5.454 0.070 9.841 1.00 55.41 N ATOM 606 CA VAL A 621 -5.725 1.270 10.614 1.00 33.02 C ATOM 607 C VAL A 621 -6.047 0.885 12.059 1.00 13.33 C ATOM 608 O VAL A 621 -6.766 -0.068 12.303 1.00 73.12 O ATOM 609 CB VAL A 621 -6.914 2.067 10.021 1.00 10.15 C ATOM 610 CG1 VAL A 621 -7.171 3.339 10.805 1.00 54.21 C ATOM 611 CG2 VAL A 621 -6.665 2.392 8.569 1.00 1.22 C ATOM 0 H VAL A 621 -6.198 -0.182 9.190 1.00 55.41 H new ATOM 0 HA VAL A 621 -4.837 1.902 10.580 1.00 33.02 H new ATOM 0 HB VAL A 621 -7.802 1.439 10.094 1.00 10.15 H new ATOM 0 HG11 VAL A 621 -8.011 3.875 10.363 1.00 54.21 H new ATOM 0 HG12 VAL A 621 -7.404 3.088 11.840 1.00 54.21 H new ATOM 0 HG13 VAL A 621 -6.283 3.970 10.776 1.00 54.21 H new ATOM 0 HG21 VAL A 621 -7.511 2.952 8.171 1.00 1.22 H new ATOM 0 HG22 VAL A 621 -5.759 2.992 8.481 1.00 1.22 H new ATOM 0 HG23 VAL A 621 -6.544 1.467 8.005 1.00 1.22 H new ATOM 621 N LYS A 622 -5.504 1.607 12.989 1.00 73.31 N ATOM 622 CA LYS A 622 -5.733 1.338 14.407 1.00 2.52 C ATOM 623 C LYS A 622 -6.452 2.499 15.093 1.00 12.41 C ATOM 624 O LYS A 622 -7.261 2.298 16.002 1.00 32.03 O ATOM 625 CB LYS A 622 -4.399 1.049 15.092 1.00 25.41 C ATOM 626 CG LYS A 622 -3.373 2.101 14.767 1.00 33.24 C ATOM 627 CD LYS A 622 -2.002 1.879 15.349 1.00 61.13 C ATOM 628 CE LYS A 622 -1.914 2.175 16.846 1.00 44.24 C ATOM 629 NZ LYS A 622 -2.597 1.186 17.724 1.00 1.15 N ATOM 0 H LYS A 622 -4.889 2.400 12.806 1.00 73.31 H new ATOM 0 HA LYS A 622 -6.380 0.465 14.491 1.00 2.52 H new ATOM 0 HB2 LYS A 622 -4.545 1.003 16.171 1.00 25.41 H new ATOM 0 HB3 LYS A 622 -4.032 0.072 14.778 1.00 25.41 H new ATOM 0 HG2 LYS A 622 -3.281 2.169 13.683 1.00 33.24 H new ATOM 0 HG3 LYS A 622 -3.744 3.064 15.117 1.00 33.24 H new ATOM 0 HD2 LYS A 622 -1.706 0.845 15.174 1.00 61.13 H new ATOM 0 HD3 LYS A 622 -1.286 2.509 14.821 1.00 61.13 H new ATOM 0 HE2 LYS A 622 -0.863 2.225 17.130 1.00 44.24 H new ATOM 0 HE3 LYS A 622 -2.342 3.160 17.032 1.00 44.24 H new ATOM 0 HZ1 LYS A 622 -3.468 1.605 18.107 1.00 1.15 H new ATOM 0 HZ2 LYS A 622 -2.835 0.338 17.172 1.00 1.15 H new ATOM 0 HZ3 LYS A 622 -1.966 0.923 18.507 1.00 1.15 H new ATOM 643 N SER A 623 -6.149 3.708 14.674 1.00 62.00 N ATOM 644 CA SER A 623 -6.753 4.883 15.256 1.00 42.15 C ATOM 645 C SER A 623 -6.878 5.977 14.224 1.00 13.41 C ATOM 646 O SER A 623 -5.976 6.169 13.405 1.00 3.11 O ATOM 647 CB SER A 623 -5.908 5.398 16.431 1.00 20.42 C ATOM 648 OG SER A 623 -5.751 4.409 17.427 1.00 62.23 O ATOM 0 H SER A 623 -5.483 3.902 13.927 1.00 62.00 H new ATOM 0 HA SER A 623 -7.744 4.607 15.616 1.00 42.15 H new ATOM 0 HB2 SER A 623 -4.929 5.709 16.068 1.00 20.42 H new ATOM 0 HB3 SER A 623 -6.382 6.279 16.863 1.00 20.42 H new ATOM 0 HG SER A 623 -5.208 4.766 18.160 1.00 62.23 H new ATOM 654 N ILE A 624 -7.984 6.655 14.243 1.00 42.43 N ATOM 655 CA ILE A 624 -8.190 7.806 13.424 1.00 20.40 C ATOM 656 C ILE A 624 -7.874 9.038 14.252 1.00 23.14 C ATOM 657 O ILE A 624 -8.360 9.179 15.379 1.00 53.35 O ATOM 658 CB ILE A 624 -9.654 7.875 12.854 1.00 24.51 C ATOM 659 CG1 ILE A 624 -9.895 6.825 11.752 1.00 43.54 C ATOM 660 CG2 ILE A 624 -9.999 9.255 12.339 1.00 10.54 C ATOM 661 CD1 ILE A 624 -9.813 5.383 12.176 1.00 44.21 C ATOM 0 H ILE A 624 -8.779 6.420 14.837 1.00 42.43 H new ATOM 0 HA ILE A 624 -7.529 7.750 12.559 1.00 20.40 H new ATOM 0 HB ILE A 624 -10.314 7.649 13.691 1.00 24.51 H new ATOM 0 HG12 ILE A 624 -10.881 7.000 11.323 1.00 43.54 H new ATOM 0 HG13 ILE A 624 -9.168 6.990 10.957 1.00 43.54 H new ATOM 0 HG21 ILE A 624 -11.019 9.256 11.955 1.00 10.54 H new ATOM 0 HG22 ILE A 624 -9.916 9.978 13.151 1.00 10.54 H new ATOM 0 HG23 ILE A 624 -9.310 9.528 11.539 1.00 10.54 H new ATOM 0 HD11 ILE A 624 -10.000 4.740 11.316 1.00 44.21 H new ATOM 0 HD12 ILE A 624 -8.820 5.177 12.574 1.00 44.21 H new ATOM 0 HD13 ILE A 624 -10.560 5.187 12.945 1.00 44.21 H new ATOM 673 N ILE A 625 -7.046 9.892 13.729 1.00 74.20 N ATOM 674 CA ILE A 625 -6.672 11.089 14.440 1.00 53.10 C ATOM 675 C ILE A 625 -7.620 12.208 14.079 1.00 41.10 C ATOM 676 O ILE A 625 -7.682 12.647 12.921 1.00 13.15 O ATOM 677 CB ILE A 625 -5.178 11.493 14.204 1.00 54.53 C ATOM 678 CG1 ILE A 625 -4.258 10.391 14.759 1.00 13.42 C ATOM 679 CG2 ILE A 625 -4.862 12.835 14.861 1.00 65.32 C ATOM 680 CD1 ILE A 625 -2.784 10.661 14.573 1.00 23.23 C ATOM 0 H ILE A 625 -6.613 9.787 12.811 1.00 74.20 H new ATOM 0 HA ILE A 625 -6.753 10.885 15.508 1.00 53.10 H new ATOM 0 HB ILE A 625 -5.008 11.601 13.133 1.00 54.53 H new ATOM 0 HG12 ILE A 625 -4.461 10.266 15.823 1.00 13.42 H new ATOM 0 HG13 ILE A 625 -4.507 9.447 14.273 1.00 13.42 H new ATOM 0 HG21 ILE A 625 -3.818 13.091 14.681 1.00 65.32 H new ATOM 0 HG22 ILE A 625 -5.503 13.608 14.437 1.00 65.32 H new ATOM 0 HG23 ILE A 625 -5.039 12.765 15.934 1.00 65.32 H new ATOM 0 HD11 ILE A 625 -2.207 9.836 14.992 1.00 23.23 H new ATOM 0 HD12 ILE A 625 -2.563 10.756 13.510 1.00 23.23 H new ATOM 0 HD13 ILE A 625 -2.516 11.586 15.083 1.00 23.23 H new ATOM 692 N ASN A 626 -8.383 12.637 15.060 1.00 55.52 N ATOM 693 CA ASN A 626 -9.368 13.688 14.883 1.00 50.44 C ATOM 694 C ASN A 626 -8.675 14.958 14.463 1.00 51.40 C ATOM 695 O ASN A 626 -7.715 15.396 15.112 1.00 71.42 O ATOM 696 CB ASN A 626 -10.172 13.922 16.177 1.00 12.00 C ATOM 697 CG ASN A 626 -10.944 12.690 16.631 1.00 61.14 C ATOM 698 OD1 ASN A 626 -12.096 12.480 16.246 1.00 65.11 O ATOM 699 ND2 ASN A 626 -10.327 11.880 17.469 1.00 1.32 N ATOM 0 H ASN A 626 -8.339 12.266 16.009 1.00 55.52 H new ATOM 0 HA ASN A 626 -10.069 13.380 14.107 1.00 50.44 H new ATOM 0 HB2 ASN A 626 -9.491 14.230 16.970 1.00 12.00 H new ATOM 0 HB3 ASN A 626 -10.871 14.744 16.020 1.00 12.00 H new ATOM 0 HD21 ASN A 626 -10.804 11.049 17.819 1.00 1.32 H new ATOM 0 HD22 ASN A 626 -9.373 12.084 17.767 1.00 1.32 H new ATOM 706 N GLY A 627 -9.127 15.529 13.383 1.00 14.51 N ATOM 707 CA GLY A 627 -8.501 16.709 12.853 1.00 55.22 C ATOM 708 C GLY A 627 -7.761 16.402 11.577 1.00 74.23 C ATOM 709 O GLY A 627 -7.537 17.292 10.745 1.00 54.01 O ATOM 0 H GLY A 627 -9.930 15.196 12.850 1.00 14.51 H new ATOM 0 HA2 GLY A 627 -9.256 17.472 12.665 1.00 55.22 H new ATOM 0 HA3 GLY A 627 -7.809 17.120 13.589 1.00 55.22 H new ATOM 713 N GLY A 628 -7.406 15.134 11.412 1.00 22.41 N ATOM 714 CA GLY A 628 -6.676 14.698 10.254 1.00 43.52 C ATOM 715 C GLY A 628 -7.469 14.840 8.978 1.00 31.04 C ATOM 716 O GLY A 628 -8.711 14.804 8.986 1.00 72.30 O ATOM 0 H GLY A 628 -7.620 14.392 12.079 1.00 22.41 H new ATOM 0 HA2 GLY A 628 -5.756 15.276 10.171 1.00 43.52 H new ATOM 0 HA3 GLY A 628 -6.387 13.655 10.383 1.00 43.52 H new ATOM 720 N ALA A 629 -6.767 14.983 7.888 1.00 32.04 N ATOM 721 CA ALA A 629 -7.379 15.170 6.596 1.00 61.11 C ATOM 722 C ALA A 629 -8.063 13.907 6.130 1.00 43.13 C ATOM 723 O ALA A 629 -9.124 13.953 5.531 1.00 3.50 O ATOM 724 CB ALA A 629 -6.350 15.637 5.602 1.00 52.01 C ATOM 0 H ALA A 629 -5.747 14.973 7.868 1.00 32.04 H new ATOM 0 HA ALA A 629 -8.147 15.939 6.682 1.00 61.11 H new ATOM 0 HB1 ALA A 629 -6.821 15.776 4.629 1.00 52.01 H new ATOM 0 HB2 ALA A 629 -5.924 16.583 5.937 1.00 52.01 H new ATOM 0 HB3 ALA A 629 -5.559 14.891 5.519 1.00 52.01 H new ATOM 730 N ALA A 630 -7.471 12.773 6.435 1.00 64.52 N ATOM 731 CA ALA A 630 -8.054 11.497 6.057 1.00 52.22 C ATOM 732 C ALA A 630 -9.271 11.244 6.886 1.00 33.44 C ATOM 733 O ALA A 630 -10.198 10.558 6.472 1.00 25.11 O ATOM 734 CB ALA A 630 -7.055 10.370 6.228 1.00 40.51 C ATOM 0 H ALA A 630 -6.589 12.705 6.942 1.00 64.52 H new ATOM 0 HA ALA A 630 -8.333 11.536 5.004 1.00 52.22 H new ATOM 0 HB1 ALA A 630 -7.518 9.427 5.938 1.00 40.51 H new ATOM 0 HB2 ALA A 630 -6.185 10.556 5.598 1.00 40.51 H new ATOM 0 HB3 ALA A 630 -6.743 10.316 7.271 1.00 40.51 H new ATOM 740 N SER A 631 -9.261 11.819 8.030 1.00 14.34 N ATOM 741 CA SER A 631 -10.325 11.694 8.963 1.00 11.22 C ATOM 742 C SER A 631 -11.534 12.510 8.492 1.00 53.04 C ATOM 743 O SER A 631 -12.650 11.987 8.398 1.00 41.24 O ATOM 744 CB SER A 631 -9.827 12.179 10.311 1.00 11.23 C ATOM 745 OG SER A 631 -8.605 11.529 10.626 1.00 22.11 O ATOM 0 H SER A 631 -8.493 12.406 8.356 1.00 14.34 H new ATOM 0 HA SER A 631 -10.644 10.655 9.046 1.00 11.22 H new ATOM 0 HB2 SER A 631 -9.682 13.259 10.290 1.00 11.23 H new ATOM 0 HB3 SER A 631 -10.570 11.972 11.081 1.00 11.23 H new ATOM 0 HG SER A 631 -8.173 11.990 11.376 1.00 22.11 H new ATOM 751 N LYS A 632 -11.304 13.777 8.181 1.00 3.24 N ATOM 752 CA LYS A 632 -12.378 14.655 7.747 1.00 54.21 C ATOM 753 C LYS A 632 -12.809 14.376 6.300 1.00 4.22 C ATOM 754 O LYS A 632 -13.992 14.158 6.020 1.00 1.44 O ATOM 755 CB LYS A 632 -11.922 16.114 7.818 1.00 12.52 C ATOM 756 CG LYS A 632 -11.469 16.603 9.176 1.00 45.10 C ATOM 757 CD LYS A 632 -11.026 18.053 9.088 1.00 52.51 C ATOM 758 CE LYS A 632 -10.516 18.568 10.412 1.00 3.20 C ATOM 759 NZ LYS A 632 -10.096 19.984 10.329 1.00 44.13 N ATOM 0 H LYS A 632 -10.385 14.218 8.221 1.00 3.24 H new ATOM 0 HA LYS A 632 -13.221 14.468 8.413 1.00 54.21 H new ATOM 0 HB2 LYS A 632 -11.103 16.252 7.112 1.00 12.52 H new ATOM 0 HB3 LYS A 632 -12.743 16.747 7.481 1.00 12.52 H new ATOM 0 HG2 LYS A 632 -12.282 16.506 9.896 1.00 45.10 H new ATOM 0 HG3 LYS A 632 -10.647 15.985 9.538 1.00 45.10 H new ATOM 0 HD2 LYS A 632 -10.243 18.148 8.336 1.00 52.51 H new ATOM 0 HD3 LYS A 632 -11.862 18.669 8.757 1.00 52.51 H new ATOM 0 HE2 LYS A 632 -11.296 18.464 11.166 1.00 3.20 H new ATOM 0 HE3 LYS A 632 -9.674 17.958 10.738 1.00 3.20 H new ATOM 0 HZ1 LYS A 632 -9.752 20.299 11.259 1.00 44.13 H new ATOM 0 HZ2 LYS A 632 -9.334 20.080 9.628 1.00 44.13 H new ATOM 0 HZ3 LYS A 632 -10.906 20.570 10.042 1.00 44.13 H new ATOM 773 N ASP A 633 -11.846 14.376 5.399 1.00 64.54 N ATOM 774 CA ASP A 633 -12.130 14.317 3.965 1.00 53.53 C ATOM 775 C ASP A 633 -12.450 12.912 3.481 1.00 50.53 C ATOM 776 O ASP A 633 -13.468 12.684 2.818 1.00 11.53 O ATOM 777 CB ASP A 633 -10.971 14.912 3.157 1.00 14.12 C ATOM 778 CG ASP A 633 -11.314 15.119 1.701 1.00 1.13 C ATOM 779 OD1 ASP A 633 -11.151 14.200 0.903 1.00 74.12 O ATOM 780 OD2 ASP A 633 -11.750 16.236 1.342 1.00 71.11 O ATOM 0 H ASP A 633 -10.853 14.416 5.629 1.00 64.54 H new ATOM 0 HA ASP A 633 -13.025 14.917 3.802 1.00 53.53 H new ATOM 0 HB2 ASP A 633 -10.681 15.867 3.596 1.00 14.12 H new ATOM 0 HB3 ASP A 633 -10.107 14.252 3.231 1.00 14.12 H new ATOM 785 N GLY A 634 -11.589 11.972 3.817 1.00 34.22 N ATOM 786 CA GLY A 634 -11.742 10.618 3.313 1.00 2.44 C ATOM 787 C GLY A 634 -12.712 9.768 4.108 1.00 54.14 C ATOM 788 O GLY A 634 -13.519 9.040 3.518 1.00 33.03 O ATOM 0 H GLY A 634 -10.785 12.115 4.429 1.00 34.22 H new ATOM 0 HA2 GLY A 634 -12.079 10.663 2.278 1.00 2.44 H new ATOM 0 HA3 GLY A 634 -10.767 10.131 3.310 1.00 2.44 H new ATOM 792 N ARG A 635 -12.636 9.866 5.444 1.00 74.12 N ATOM 793 CA ARG A 635 -13.462 9.093 6.353 1.00 45.35 C ATOM 794 C ARG A 635 -13.090 7.625 6.301 1.00 70.25 C ATOM 795 O ARG A 635 -13.674 6.833 5.569 1.00 1.34 O ATOM 796 CB ARG A 635 -14.958 9.319 6.104 1.00 32.50 C ATOM 797 CG ARG A 635 -15.944 8.514 6.971 1.00 64.41 C ATOM 798 CD ARG A 635 -15.858 8.847 8.452 1.00 1.02 C ATOM 799 NE ARG A 635 -14.627 8.361 9.096 1.00 30.21 N ATOM 800 CZ ARG A 635 -14.217 8.746 10.304 1.00 2.34 C ATOM 801 NH1 ARG A 635 -14.794 9.775 10.899 1.00 13.04 N ATOM 802 NH2 ARG A 635 -13.209 8.121 10.897 1.00 31.21 N ATOM 0 H ARG A 635 -11.988 10.495 5.918 1.00 74.12 H new ATOM 0 HA ARG A 635 -13.264 9.448 7.364 1.00 45.35 H new ATOM 0 HB2 ARG A 635 -15.168 10.379 6.248 1.00 32.50 H new ATOM 0 HB3 ARG A 635 -15.165 9.092 5.058 1.00 32.50 H new ATOM 0 HG2 ARG A 635 -16.960 8.702 6.622 1.00 64.41 H new ATOM 0 HG3 ARG A 635 -15.752 7.450 6.834 1.00 64.41 H new ATOM 0 HD2 ARG A 635 -15.921 9.928 8.577 1.00 1.02 H new ATOM 0 HD3 ARG A 635 -16.719 8.417 8.963 1.00 1.02 H new ATOM 0 HE ARG A 635 -14.053 7.689 8.587 1.00 30.21 H new ATOM 0 HH11 ARG A 635 -15.552 10.274 10.434 1.00 13.04 H new ATOM 0 HH12 ARG A 635 -14.481 10.071 11.824 1.00 13.04 H new ATOM 0 HH21 ARG A 635 -12.745 7.343 10.428 1.00 31.21 H new ATOM 0 HH22 ARG A 635 -12.898 8.418 11.822 1.00 31.21 H new ATOM 816 N LEU A 636 -12.074 7.290 7.030 1.00 54.34 N ATOM 817 CA LEU A 636 -11.633 5.915 7.107 1.00 12.53 C ATOM 818 C LEU A 636 -12.032 5.285 8.405 1.00 34.24 C ATOM 819 O LEU A 636 -12.369 5.977 9.373 1.00 50.04 O ATOM 820 CB LEU A 636 -10.124 5.707 6.826 1.00 0.42 C ATOM 821 CG LEU A 636 -9.641 5.940 5.383 1.00 64.14 C ATOM 822 CD1 LEU A 636 -9.726 7.391 4.987 1.00 25.54 C ATOM 823 CD2 LEU A 636 -8.242 5.389 5.175 1.00 12.03 C ATOM 0 H LEU A 636 -11.525 7.945 7.587 1.00 54.34 H new ATOM 0 HA LEU A 636 -12.151 5.406 6.294 1.00 12.53 H new ATOM 0 HB2 LEU A 636 -9.563 6.372 7.482 1.00 0.42 H new ATOM 0 HB3 LEU A 636 -9.865 4.687 7.109 1.00 0.42 H new ATOM 0 HG LEU A 636 -10.315 5.391 4.726 1.00 64.14 H new ATOM 0 HD11 LEU A 636 -9.375 7.509 3.962 1.00 25.54 H new ATOM 0 HD12 LEU A 636 -10.760 7.728 5.058 1.00 25.54 H new ATOM 0 HD13 LEU A 636 -9.104 7.987 5.654 1.00 25.54 H new ATOM 0 HD21 LEU A 636 -7.929 5.569 4.146 1.00 12.03 H new ATOM 0 HD22 LEU A 636 -7.551 5.885 5.856 1.00 12.03 H new ATOM 0 HD23 LEU A 636 -8.240 4.317 5.373 1.00 12.03 H new ATOM 835 N ARG A 637 -11.965 3.998 8.413 1.00 21.34 N ATOM 836 CA ARG A 637 -12.397 3.171 9.527 1.00 50.41 C ATOM 837 C ARG A 637 -11.225 2.485 10.186 1.00 12.31 C ATOM 838 O ARG A 637 -10.141 2.383 9.612 1.00 1.32 O ATOM 839 CB ARG A 637 -13.367 2.113 9.015 1.00 54.42 C ATOM 840 CG ARG A 637 -12.799 1.380 7.829 1.00 10.11 C ATOM 841 CD ARG A 637 -13.712 0.334 7.265 1.00 22.34 C ATOM 842 NE ARG A 637 -13.304 0.038 5.910 1.00 55.32 N ATOM 843 CZ ARG A 637 -13.979 0.359 4.811 1.00 63.10 C ATOM 844 NH1 ARG A 637 -15.243 0.789 4.880 1.00 12.21 N ATOM 845 NH2 ARG A 637 -13.378 0.221 3.638 1.00 31.03 N ATOM 0 H ARG A 637 -11.599 3.459 7.628 1.00 21.34 H new ATOM 0 HA ARG A 637 -12.881 3.812 10.264 1.00 50.41 H new ATOM 0 HB2 ARG A 637 -13.589 1.403 9.812 1.00 54.42 H new ATOM 0 HB3 ARG A 637 -14.310 2.585 8.737 1.00 54.42 H new ATOM 0 HG2 ARG A 637 -12.564 2.102 7.047 1.00 10.11 H new ATOM 0 HG3 ARG A 637 -11.860 0.909 8.121 1.00 10.11 H new ATOM 0 HD2 ARG A 637 -13.674 -0.568 7.876 1.00 22.34 H new ATOM 0 HD3 ARG A 637 -14.743 0.686 7.280 1.00 22.34 H new ATOM 0 HE ARG A 637 -12.422 -0.460 5.787 1.00 55.32 H new ATOM 0 HH11 ARG A 637 -15.704 0.875 5.786 1.00 12.21 H new ATOM 0 HH12 ARG A 637 -15.747 1.031 4.027 1.00 12.21 H new ATOM 0 HH21 ARG A 637 -12.419 -0.125 3.594 1.00 31.03 H new ATOM 0 HH22 ARG A 637 -13.874 0.460 2.780 1.00 31.03 H new ATOM 859 N VAL A 638 -11.459 2.012 11.373 1.00 71.31 N ATOM 860 CA VAL A 638 -10.468 1.281 12.122 1.00 53.14 C ATOM 861 C VAL A 638 -10.445 -0.176 11.639 1.00 63.20 C ATOM 862 O VAL A 638 -11.495 -0.736 11.292 1.00 44.02 O ATOM 863 CB VAL A 638 -10.790 1.308 13.649 1.00 0.31 C ATOM 864 CG1 VAL A 638 -9.717 0.602 14.471 1.00 44.45 C ATOM 865 CG2 VAL A 638 -10.988 2.727 14.141 1.00 44.44 C ATOM 0 H VAL A 638 -12.350 2.121 11.858 1.00 71.31 H new ATOM 0 HA VAL A 638 -9.497 1.750 11.963 1.00 53.14 H new ATOM 0 HB VAL A 638 -11.723 0.761 13.786 1.00 0.31 H new ATOM 0 HG11 VAL A 638 -9.981 0.645 15.528 1.00 44.45 H new ATOM 0 HG12 VAL A 638 -9.644 -0.439 14.157 1.00 44.45 H new ATOM 0 HG13 VAL A 638 -8.757 1.095 14.317 1.00 44.45 H new ATOM 0 HG21 VAL A 638 -11.211 2.714 15.208 1.00 44.44 H new ATOM 0 HG22 VAL A 638 -10.079 3.303 13.967 1.00 44.44 H new ATOM 0 HG23 VAL A 638 -11.817 3.186 13.603 1.00 44.44 H new ATOM 875 N ASN A 639 -9.250 -0.749 11.595 1.00 2.41 N ATOM 876 CA ASN A 639 -8.996 -2.156 11.239 1.00 15.04 C ATOM 877 C ASN A 639 -9.177 -2.415 9.723 1.00 35.22 C ATOM 878 O ASN A 639 -9.295 -3.562 9.277 1.00 73.41 O ATOM 879 CB ASN A 639 -9.832 -3.115 12.138 1.00 52.32 C ATOM 880 CG ASN A 639 -9.431 -4.599 12.058 1.00 33.13 C ATOM 881 OD1 ASN A 639 -10.262 -5.477 12.234 1.00 51.12 O ATOM 882 ND2 ASN A 639 -8.163 -4.881 11.836 1.00 55.33 N ATOM 0 H ASN A 639 -8.395 -0.237 11.812 1.00 2.41 H new ATOM 0 HA ASN A 639 -7.948 -2.374 11.442 1.00 15.04 H new ATOM 0 HB2 ASN A 639 -9.744 -2.786 13.173 1.00 52.32 H new ATOM 0 HB3 ASN A 639 -10.883 -3.023 11.862 1.00 52.32 H new ATOM 0 HD21 ASN A 639 -7.854 -5.853 11.808 1.00 55.33 H new ATOM 0 HD22 ASN A 639 -7.491 -4.128 11.692 1.00 55.33 H new ATOM 889 N ASP A 640 -9.151 -1.341 8.923 1.00 52.14 N ATOM 890 CA ASP A 640 -9.165 -1.508 7.470 1.00 22.24 C ATOM 891 C ASP A 640 -7.715 -1.827 7.055 1.00 55.41 C ATOM 892 O ASP A 640 -6.783 -1.403 7.749 1.00 20.52 O ATOM 893 CB ASP A 640 -9.606 -0.230 6.762 1.00 62.43 C ATOM 894 CG ASP A 640 -9.848 -0.479 5.284 1.00 50.33 C ATOM 895 OD1 ASP A 640 -8.903 -0.641 4.560 1.00 74.13 O ATOM 896 OD2 ASP A 640 -11.020 -0.556 4.871 1.00 14.21 O ATOM 0 H ASP A 640 -9.121 -0.375 9.248 1.00 52.14 H new ATOM 0 HA ASP A 640 -9.865 -2.297 7.194 1.00 22.24 H new ATOM 0 HB2 ASP A 640 -10.518 0.149 7.224 1.00 62.43 H new ATOM 0 HB3 ASP A 640 -8.843 0.539 6.884 1.00 62.43 H new ATOM 901 N GLN A 641 -7.515 -2.526 5.961 1.00 40.41 N ATOM 902 CA GLN A 641 -6.188 -2.972 5.562 1.00 35.31 C ATOM 903 C GLN A 641 -5.685 -2.113 4.379 1.00 20.12 C ATOM 904 O GLN A 641 -6.251 -2.145 3.292 1.00 64.22 O ATOM 905 CB GLN A 641 -6.270 -4.479 5.202 1.00 4.34 C ATOM 906 CG GLN A 641 -4.947 -5.281 5.147 1.00 20.54 C ATOM 907 CD GLN A 641 -4.020 -4.939 4.025 1.00 53.25 C ATOM 908 OE1 GLN A 641 -4.094 -5.529 2.951 1.00 11.44 O ATOM 909 NE2 GLN A 641 -3.136 -4.027 4.263 1.00 40.33 N ATOM 0 H GLN A 641 -8.260 -2.803 5.322 1.00 40.41 H new ATOM 0 HA GLN A 641 -5.471 -2.849 6.374 1.00 35.31 H new ATOM 0 HB2 GLN A 641 -6.924 -4.962 5.928 1.00 4.34 H new ATOM 0 HB3 GLN A 641 -6.755 -4.565 4.229 1.00 4.34 H new ATOM 0 HG2 GLN A 641 -4.417 -5.134 6.088 1.00 20.54 H new ATOM 0 HG3 GLN A 641 -5.190 -6.341 5.081 1.00 20.54 H new ATOM 0 HE21 GLN A 641 -3.113 -3.564 5.171 1.00 40.33 H new ATOM 0 HE22 GLN A 641 -2.461 -3.770 3.542 1.00 40.33 H new ATOM 918 N LEU A 642 -4.612 -1.372 4.619 1.00 12.53 N ATOM 919 CA LEU A 642 -4.030 -0.451 3.634 1.00 60.14 C ATOM 920 C LEU A 642 -3.313 -1.204 2.511 1.00 35.15 C ATOM 921 O LEU A 642 -2.330 -1.922 2.737 1.00 34.25 O ATOM 922 CB LEU A 642 -3.071 0.581 4.298 1.00 10.23 C ATOM 923 CG LEU A 642 -3.671 1.621 5.253 1.00 23.24 C ATOM 924 CD1 LEU A 642 -4.244 0.969 6.494 1.00 61.43 C ATOM 925 CD2 LEU A 642 -2.617 2.634 5.633 1.00 2.05 C ATOM 0 H LEU A 642 -4.112 -1.388 5.508 1.00 12.53 H new ATOM 0 HA LEU A 642 -4.861 0.101 3.195 1.00 60.14 H new ATOM 0 HB2 LEU A 642 -2.312 0.024 4.847 1.00 10.23 H new ATOM 0 HB3 LEU A 642 -2.558 1.119 3.501 1.00 10.23 H new ATOM 0 HG LEU A 642 -4.488 2.125 4.737 1.00 23.24 H new ATOM 0 HD11 LEU A 642 -4.660 1.735 7.148 1.00 61.43 H new ATOM 0 HD12 LEU A 642 -5.030 0.270 6.208 1.00 61.43 H new ATOM 0 HD13 LEU A 642 -3.455 0.432 7.020 1.00 61.43 H new ATOM 0 HD21 LEU A 642 -3.048 3.370 6.311 1.00 2.05 H new ATOM 0 HD22 LEU A 642 -1.787 2.128 6.126 1.00 2.05 H new ATOM 0 HD23 LEU A 642 -2.254 3.136 4.736 1.00 2.05 H new ATOM 937 N ILE A 643 -3.805 -1.014 1.313 1.00 63.13 N ATOM 938 CA ILE A 643 -3.328 -1.719 0.139 1.00 70.14 C ATOM 939 C ILE A 643 -2.286 -0.919 -0.610 1.00 54.22 C ATOM 940 O ILE A 643 -1.129 -1.337 -0.736 1.00 12.45 O ATOM 941 CB ILE A 643 -4.512 -1.985 -0.817 1.00 35.21 C ATOM 942 CG1 ILE A 643 -5.588 -2.787 -0.104 1.00 71.35 C ATOM 943 CG2 ILE A 643 -4.064 -2.682 -2.103 1.00 22.14 C ATOM 944 CD1 ILE A 643 -5.153 -4.170 0.322 1.00 11.31 C ATOM 0 H ILE A 643 -4.560 -0.356 1.118 1.00 63.13 H new ATOM 0 HA ILE A 643 -2.878 -2.653 0.476 1.00 70.14 H new ATOM 0 HB ILE A 643 -4.929 -1.022 -1.111 1.00 35.21 H new ATOM 0 HG12 ILE A 643 -5.913 -2.234 0.777 1.00 71.35 H new ATOM 0 HG13 ILE A 643 -6.453 -2.877 -0.761 1.00 71.35 H new ATOM 0 HG21 ILE A 643 -4.928 -2.850 -2.746 1.00 22.14 H new ATOM 0 HG22 ILE A 643 -3.340 -2.055 -2.624 1.00 22.14 H new ATOM 0 HG23 ILE A 643 -3.604 -3.639 -1.857 1.00 22.14 H new ATOM 0 HD11 ILE A 643 -5.980 -4.673 0.823 1.00 11.31 H new ATOM 0 HD12 ILE A 643 -4.856 -4.745 -0.556 1.00 11.31 H new ATOM 0 HD13 ILE A 643 -4.308 -4.091 1.006 1.00 11.31 H new ATOM 956 N ALA A 644 -2.696 0.225 -1.107 1.00 60.44 N ATOM 957 CA ALA A 644 -1.842 1.029 -1.925 1.00 64.11 C ATOM 958 C ALA A 644 -1.875 2.465 -1.487 1.00 42.43 C ATOM 959 O ALA A 644 -2.921 2.995 -1.119 1.00 21.50 O ATOM 960 CB ALA A 644 -2.222 0.890 -3.392 1.00 51.32 C ATOM 0 H ALA A 644 -3.626 0.615 -0.953 1.00 60.44 H new ATOM 0 HA ALA A 644 -0.819 0.673 -1.807 1.00 64.11 H new ATOM 0 HB1 ALA A 644 -1.561 1.509 -3.999 1.00 51.32 H new ATOM 0 HB2 ALA A 644 -2.124 -0.152 -3.696 1.00 51.32 H new ATOM 0 HB3 ALA A 644 -3.253 1.214 -3.533 1.00 51.32 H new ATOM 966 N VAL A 645 -0.733 3.078 -1.520 1.00 72.13 N ATOM 967 CA VAL A 645 -0.537 4.433 -1.091 1.00 35.31 C ATOM 968 C VAL A 645 0.092 5.190 -2.233 1.00 11.21 C ATOM 969 O VAL A 645 1.187 4.860 -2.643 1.00 35.12 O ATOM 970 CB VAL A 645 0.455 4.445 0.083 1.00 15.54 C ATOM 971 CG1 VAL A 645 0.603 5.824 0.685 1.00 4.30 C ATOM 972 CG2 VAL A 645 0.074 3.415 1.121 1.00 55.33 C ATOM 0 H VAL A 645 0.121 2.635 -1.858 1.00 72.13 H new ATOM 0 HA VAL A 645 -1.486 4.878 -0.791 1.00 35.31 H new ATOM 0 HB VAL A 645 1.434 4.172 -0.310 1.00 15.54 H new ATOM 0 HG11 VAL A 645 1.313 5.786 1.511 1.00 4.30 H new ATOM 0 HG12 VAL A 645 0.967 6.516 -0.075 1.00 4.30 H new ATOM 0 HG13 VAL A 645 -0.364 6.166 1.053 1.00 4.30 H new ATOM 0 HG21 VAL A 645 0.791 3.443 1.942 1.00 55.33 H new ATOM 0 HG22 VAL A 645 -0.923 3.635 1.503 1.00 55.33 H new ATOM 0 HG23 VAL A 645 0.079 2.423 0.669 1.00 55.33 H new ATOM 982 N ASN A 646 -0.586 6.215 -2.724 1.00 21.31 N ATOM 983 CA ASN A 646 -0.128 6.978 -3.910 1.00 10.43 C ATOM 984 C ASN A 646 0.226 6.050 -5.063 1.00 12.22 C ATOM 985 O ASN A 646 1.242 6.230 -5.747 1.00 20.25 O ATOM 986 CB ASN A 646 1.040 7.904 -3.558 1.00 1.44 C ATOM 987 CG ASN A 646 0.598 9.063 -2.705 1.00 23.20 C ATOM 988 OD1 ASN A 646 -0.526 9.535 -2.825 1.00 43.14 O ATOM 989 ND2 ASN A 646 1.450 9.521 -1.833 1.00 0.33 N ATOM 0 H ASN A 646 -1.463 6.552 -2.327 1.00 21.31 H new ATOM 0 HA ASN A 646 -0.957 7.605 -4.238 1.00 10.43 H new ATOM 0 HB2 ASN A 646 1.807 7.337 -3.031 1.00 1.44 H new ATOM 0 HB3 ASN A 646 1.495 8.280 -4.475 1.00 1.44 H new ATOM 0 HD21 ASN A 646 1.189 10.296 -1.224 1.00 0.33 H new ATOM 0 HD22 ASN A 646 2.378 9.104 -1.759 1.00 0.33 H new ATOM 996 N GLY A 647 -0.641 5.072 -5.287 1.00 21.32 N ATOM 997 CA GLY A 647 -0.421 4.078 -6.338 1.00 73.42 C ATOM 998 C GLY A 647 0.677 3.045 -6.020 1.00 32.13 C ATOM 999 O GLY A 647 0.956 2.168 -6.834 1.00 62.42 O ATOM 0 H GLY A 647 -1.503 4.943 -4.758 1.00 21.32 H new ATOM 0 HA2 GLY A 647 -1.356 3.550 -6.523 1.00 73.42 H new ATOM 0 HA3 GLY A 647 -0.159 4.595 -7.261 1.00 73.42 H new ATOM 1003 N GLU A 648 1.293 3.154 -4.862 1.00 23.24 N ATOM 1004 CA GLU A 648 2.334 2.229 -4.445 1.00 24.43 C ATOM 1005 C GLU A 648 1.724 1.137 -3.566 1.00 71.52 C ATOM 1006 O GLU A 648 1.071 1.439 -2.583 1.00 30.54 O ATOM 1007 CB GLU A 648 3.415 2.991 -3.671 1.00 73.34 C ATOM 1008 CG GLU A 648 4.532 2.127 -3.153 1.00 54.34 C ATOM 1009 CD GLU A 648 5.301 1.450 -4.265 1.00 34.31 C ATOM 1010 OE1 GLU A 648 4.833 0.419 -4.788 1.00 13.51 O ATOM 1011 OE2 GLU A 648 6.391 1.938 -4.628 1.00 23.24 O ATOM 0 H GLU A 648 1.089 3.885 -4.181 1.00 23.24 H new ATOM 0 HA GLU A 648 2.787 1.766 -5.322 1.00 24.43 H new ATOM 0 HB2 GLU A 648 3.836 3.759 -4.320 1.00 73.34 H new ATOM 0 HB3 GLU A 648 2.949 3.505 -2.830 1.00 73.34 H new ATOM 0 HG2 GLU A 648 5.215 2.737 -2.562 1.00 54.34 H new ATOM 0 HG3 GLU A 648 4.122 1.369 -2.485 1.00 54.34 H new ATOM 1018 N SER A 649 1.958 -0.103 -3.903 1.00 34.34 N ATOM 1019 CA SER A 649 1.339 -1.199 -3.187 1.00 63.00 C ATOM 1020 C SER A 649 2.242 -1.735 -2.067 1.00 4.23 C ATOM 1021 O SER A 649 3.492 -1.682 -2.147 1.00 10.43 O ATOM 1022 CB SER A 649 0.955 -2.327 -4.157 1.00 72.24 C ATOM 1023 OG SER A 649 0.247 -3.376 -3.494 1.00 4.52 O ATOM 0 H SER A 649 2.572 -0.385 -4.668 1.00 34.34 H new ATOM 0 HA SER A 649 0.434 -0.813 -2.718 1.00 63.00 H new ATOM 0 HB2 SER A 649 0.338 -1.923 -4.960 1.00 72.24 H new ATOM 0 HB3 SER A 649 1.855 -2.731 -4.620 1.00 72.24 H new ATOM 0 HG SER A 649 0.017 -4.075 -4.141 1.00 4.52 H new ATOM 1029 N LEU A 650 1.609 -2.220 -1.021 1.00 60.35 N ATOM 1030 CA LEU A 650 2.301 -2.830 0.091 1.00 11.52 C ATOM 1031 C LEU A 650 2.106 -4.335 0.055 1.00 13.24 C ATOM 1032 O LEU A 650 2.717 -5.075 0.834 1.00 42.43 O ATOM 1033 CB LEU A 650 1.747 -2.304 1.408 1.00 33.34 C ATOM 1034 CG LEU A 650 1.783 -0.777 1.606 1.00 70.22 C ATOM 1035 CD1 LEU A 650 1.181 -0.391 2.945 1.00 53.30 C ATOM 1036 CD2 LEU A 650 3.203 -0.236 1.475 1.00 12.04 C ATOM 0 H LEU A 650 0.594 -2.202 -0.919 1.00 60.35 H new ATOM 0 HA LEU A 650 3.360 -2.586 0.013 1.00 11.52 H new ATOM 0 HB2 LEU A 650 0.713 -2.636 1.500 1.00 33.34 H new ATOM 0 HB3 LEU A 650 2.304 -2.767 2.222 1.00 33.34 H new ATOM 0 HG LEU A 650 1.180 -0.326 0.818 1.00 70.22 H new ATOM 0 HD11 LEU A 650 1.218 0.692 3.062 1.00 53.30 H new ATOM 0 HD12 LEU A 650 0.145 -0.726 2.988 1.00 53.30 H new ATOM 0 HD13 LEU A 650 1.748 -0.862 3.748 1.00 53.30 H new ATOM 0 HD21 LEU A 650 3.196 0.844 1.620 1.00 12.04 H new ATOM 0 HD22 LEU A 650 3.840 -0.699 2.229 1.00 12.04 H new ATOM 0 HD23 LEU A 650 3.590 -0.466 0.482 1.00 12.04 H new ATOM 1048 N LEU A 651 1.262 -4.787 -0.859 1.00 41.14 N ATOM 1049 CA LEU A 651 0.918 -6.191 -0.950 1.00 2.35 C ATOM 1050 C LEU A 651 2.080 -7.011 -1.450 1.00 34.44 C ATOM 1051 O LEU A 651 2.390 -7.011 -2.648 1.00 22.50 O ATOM 1052 CB LEU A 651 -0.304 -6.413 -1.845 1.00 0.40 C ATOM 1053 CG LEU A 651 -1.609 -5.756 -1.395 1.00 1.24 C ATOM 1054 CD1 LEU A 651 -2.722 -6.092 -2.368 1.00 33.43 C ATOM 1055 CD2 LEU A 651 -1.980 -6.197 0.012 1.00 54.12 C ATOM 0 H LEU A 651 0.802 -4.195 -1.551 1.00 41.14 H new ATOM 0 HA LEU A 651 0.670 -6.522 0.058 1.00 2.35 H new ATOM 0 HB2 LEU A 651 -0.066 -6.048 -2.844 1.00 0.40 H new ATOM 0 HB3 LEU A 651 -0.474 -7.486 -1.930 1.00 0.40 H new ATOM 0 HG LEU A 651 -1.466 -4.675 -1.383 1.00 1.24 H new ATOM 0 HD11 LEU A 651 -3.648 -5.620 -2.039 1.00 33.43 H new ATOM 0 HD12 LEU A 651 -2.460 -5.726 -3.361 1.00 33.43 H new ATOM 0 HD13 LEU A 651 -2.859 -7.173 -2.405 1.00 33.43 H new ATOM 0 HD21 LEU A 651 -2.912 -5.716 0.310 1.00 54.12 H new ATOM 0 HD22 LEU A 651 -2.107 -7.279 0.032 1.00 54.12 H new ATOM 0 HD23 LEU A 651 -1.187 -5.912 0.704 1.00 54.12 H new ATOM 1067 N GLY A 652 2.759 -7.645 -0.541 1.00 22.53 N ATOM 1068 CA GLY A 652 3.843 -8.518 -0.918 1.00 5.42 C ATOM 1069 C GLY A 652 5.077 -8.271 -0.106 1.00 35.30 C ATOM 1070 O GLY A 652 6.001 -9.083 -0.104 1.00 53.43 O ATOM 0 H GLY A 652 2.587 -7.579 0.462 1.00 22.53 H new ATOM 0 HA2 GLY A 652 3.531 -9.555 -0.796 1.00 5.42 H new ATOM 0 HA3 GLY A 652 4.071 -8.376 -1.974 1.00 5.42 H new ATOM 1074 N LYS A 653 5.105 -7.162 0.584 1.00 13.32 N ATOM 1075 CA LYS A 653 6.236 -6.834 1.409 1.00 42.13 C ATOM 1076 C LYS A 653 5.856 -6.923 2.877 1.00 34.22 C ATOM 1077 O LYS A 653 4.692 -6.695 3.232 1.00 43.24 O ATOM 1078 CB LYS A 653 6.817 -5.456 1.047 1.00 64.51 C ATOM 1079 CG LYS A 653 5.836 -4.300 1.156 1.00 44.12 C ATOM 1080 CD LYS A 653 6.492 -2.954 0.840 1.00 40.45 C ATOM 1081 CE LYS A 653 7.033 -2.863 -0.591 1.00 54.42 C ATOM 1082 NZ LYS A 653 5.979 -3.031 -1.628 1.00 52.40 N ATOM 0 H LYS A 653 4.356 -6.470 0.591 1.00 13.32 H new ATOM 0 HA LYS A 653 7.025 -7.562 1.221 1.00 42.13 H new ATOM 0 HB2 LYS A 653 7.668 -5.254 1.698 1.00 64.51 H new ATOM 0 HB3 LYS A 653 7.198 -5.495 0.027 1.00 64.51 H new ATOM 0 HG2 LYS A 653 5.004 -4.466 0.472 1.00 44.12 H new ATOM 0 HG3 LYS A 653 5.420 -4.272 2.163 1.00 44.12 H new ATOM 0 HD2 LYS A 653 5.765 -2.158 0.997 1.00 40.45 H new ATOM 0 HD3 LYS A 653 7.309 -2.782 1.541 1.00 40.45 H new ATOM 0 HE2 LYS A 653 7.518 -1.897 -0.728 1.00 54.42 H new ATOM 0 HE3 LYS A 653 7.798 -3.627 -0.733 1.00 54.42 H new ATOM 0 HZ1 LYS A 653 6.391 -2.875 -2.570 1.00 52.40 H new ATOM 0 HZ2 LYS A 653 5.590 -3.994 -1.575 1.00 52.40 H new ATOM 0 HZ3 LYS A 653 5.218 -2.341 -1.465 1.00 52.40 H new ATOM 1096 N ALA A 654 6.832 -7.275 3.712 1.00 32.23 N ATOM 1097 CA ALA A 654 6.630 -7.455 5.153 1.00 70.50 C ATOM 1098 C ALA A 654 6.132 -6.172 5.822 1.00 54.23 C ATOM 1099 O ALA A 654 6.254 -5.092 5.254 1.00 33.24 O ATOM 1100 CB ALA A 654 7.917 -7.933 5.804 1.00 60.20 C ATOM 0 H ALA A 654 7.791 -7.445 3.409 1.00 32.23 H new ATOM 0 HA ALA A 654 5.858 -8.212 5.290 1.00 70.50 H new ATOM 0 HB1 ALA A 654 7.757 -8.064 6.874 1.00 60.20 H new ATOM 0 HB2 ALA A 654 8.216 -8.884 5.363 1.00 60.20 H new ATOM 0 HB3 ALA A 654 8.703 -7.195 5.642 1.00 60.20 H new ATOM 1106 N ASN A 655 5.612 -6.299 7.046 1.00 60.14 N ATOM 1107 CA ASN A 655 5.006 -5.163 7.784 1.00 33.31 C ATOM 1108 C ASN A 655 5.961 -3.977 7.895 1.00 64.04 C ATOM 1109 O ASN A 655 5.575 -2.834 7.626 1.00 61.31 O ATOM 1110 CB ASN A 655 4.550 -5.576 9.202 1.00 14.52 C ATOM 1111 CG ASN A 655 3.563 -6.735 9.227 1.00 53.34 C ATOM 1112 OD1 ASN A 655 3.957 -7.887 9.337 1.00 31.32 O ATOM 1113 ND2 ASN A 655 2.287 -6.448 9.103 1.00 22.10 N ATOM 0 H ASN A 655 5.594 -7.181 7.559 1.00 60.14 H new ATOM 0 HA ASN A 655 4.135 -4.861 7.203 1.00 33.31 H new ATOM 0 HB2 ASN A 655 5.427 -5.848 9.789 1.00 14.52 H new ATOM 0 HB3 ASN A 655 4.094 -4.715 9.690 1.00 14.52 H new ATOM 0 HD21 ASN A 655 1.594 -7.197 9.097 1.00 22.10 H new ATOM 0 HD22 ASN A 655 1.989 -5.477 9.013 1.00 22.10 H new ATOM 1120 N GLN A 656 7.207 -4.236 8.275 1.00 13.24 N ATOM 1121 CA GLN A 656 8.176 -3.158 8.424 1.00 24.21 C ATOM 1122 C GLN A 656 8.623 -2.621 7.064 1.00 23.42 C ATOM 1123 O GLN A 656 8.844 -1.412 6.916 1.00 43.42 O ATOM 1124 CB GLN A 656 9.369 -3.585 9.288 1.00 64.22 C ATOM 1125 CG GLN A 656 9.012 -3.990 10.736 1.00 51.12 C ATOM 1126 CD GLN A 656 8.621 -2.839 11.702 1.00 21.12 C ATOM 1127 OE1 GLN A 656 8.836 -2.948 12.900 1.00 60.12 O ATOM 1128 NE2 GLN A 656 8.100 -1.741 11.217 1.00 1.12 N ATOM 0 H GLN A 656 7.566 -5.168 8.483 1.00 13.24 H new ATOM 0 HA GLN A 656 7.680 -2.341 8.948 1.00 24.21 H new ATOM 0 HB2 GLN A 656 9.867 -4.425 8.804 1.00 64.22 H new ATOM 0 HB3 GLN A 656 10.086 -2.765 9.322 1.00 64.22 H new ATOM 0 HG2 GLN A 656 8.185 -4.699 10.698 1.00 51.12 H new ATOM 0 HG3 GLN A 656 9.865 -4.518 11.162 1.00 51.12 H new ATOM 0 HE21 GLN A 656 7.924 -1.659 10.216 1.00 1.12 H new ATOM 0 HE22 GLN A 656 7.870 -0.967 11.840 1.00 1.12 H new ATOM 1137 N GLU A 657 8.722 -3.509 6.070 1.00 35.51 N ATOM 1138 CA GLU A 657 9.079 -3.099 4.702 1.00 72.43 C ATOM 1139 C GLU A 657 8.023 -2.156 4.198 1.00 72.10 C ATOM 1140 O GLU A 657 8.317 -1.094 3.644 1.00 44.35 O ATOM 1141 CB GLU A 657 9.122 -4.303 3.764 1.00 75.23 C ATOM 1142 CG GLU A 657 10.097 -5.376 4.155 1.00 42.14 C ATOM 1143 CD GLU A 657 11.514 -4.884 4.219 1.00 11.52 C ATOM 1144 OE1 GLU A 657 12.108 -4.614 3.153 1.00 54.20 O ATOM 1145 OE2 GLU A 657 12.052 -4.742 5.328 1.00 33.44 O ATOM 0 H GLU A 657 8.562 -4.510 6.182 1.00 35.51 H new ATOM 0 HA GLU A 657 10.062 -2.628 4.724 1.00 72.43 H new ATOM 0 HB2 GLU A 657 8.125 -4.740 3.712 1.00 75.23 H new ATOM 0 HB3 GLU A 657 9.370 -3.955 2.761 1.00 75.23 H new ATOM 0 HG2 GLU A 657 9.814 -5.780 5.127 1.00 42.14 H new ATOM 0 HG3 GLU A 657 10.034 -6.195 3.439 1.00 42.14 H new ATOM 1152 N ALA A 658 6.780 -2.562 4.420 1.00 42.44 N ATOM 1153 CA ALA A 658 5.631 -1.805 4.035 1.00 5.33 C ATOM 1154 C ALA A 658 5.665 -0.447 4.653 1.00 31.54 C ATOM 1155 O ALA A 658 5.481 0.517 3.970 1.00 75.45 O ATOM 1156 CB ALA A 658 4.358 -2.526 4.411 1.00 41.54 C ATOM 0 H ALA A 658 6.555 -3.443 4.881 1.00 42.44 H new ATOM 0 HA ALA A 658 5.649 -1.692 2.951 1.00 5.33 H new ATOM 0 HB1 ALA A 658 3.498 -1.929 4.107 1.00 41.54 H new ATOM 0 HB2 ALA A 658 4.325 -3.492 3.908 1.00 41.54 H new ATOM 0 HB3 ALA A 658 4.331 -2.678 5.490 1.00 41.54 H new ATOM 1162 N MET A 659 5.942 -0.380 5.948 1.00 11.51 N ATOM 1163 CA MET A 659 6.012 0.899 6.641 1.00 24.24 C ATOM 1164 C MET A 659 7.067 1.832 6.096 1.00 45.04 C ATOM 1165 O MET A 659 6.828 3.029 6.027 1.00 42.41 O ATOM 1166 CB MET A 659 6.122 0.752 8.139 1.00 34.52 C ATOM 1167 CG MET A 659 4.844 0.283 8.777 1.00 41.04 C ATOM 1168 SD MET A 659 4.958 0.157 10.556 1.00 3.53 S ATOM 1169 CE MET A 659 3.238 -0.096 10.944 1.00 34.35 C ATOM 0 H MET A 659 6.121 -1.193 6.538 1.00 11.51 H new ATOM 0 HA MET A 659 5.053 1.373 6.434 1.00 24.24 H new ATOM 0 HB2 MET A 659 6.919 0.046 8.372 1.00 34.52 H new ATOM 0 HB3 MET A 659 6.408 1.710 8.573 1.00 34.52 H new ATOM 0 HG2 MET A 659 4.040 0.972 8.518 1.00 41.04 H new ATOM 0 HG3 MET A 659 4.575 -0.690 8.366 1.00 41.04 H new ATOM 0 HE1 MET A 659 3.023 0.318 11.929 1.00 34.35 H new ATOM 0 HE2 MET A 659 2.620 0.403 10.198 1.00 34.35 H new ATOM 0 HE3 MET A 659 3.018 -1.164 10.943 1.00 34.35 H new ATOM 1179 N GLU A 660 8.218 1.304 5.686 1.00 50.43 N ATOM 1180 CA GLU A 660 9.237 2.134 5.099 1.00 54.43 C ATOM 1181 C GLU A 660 8.710 2.718 3.788 1.00 33.22 C ATOM 1182 O GLU A 660 8.778 3.933 3.553 1.00 54.14 O ATOM 1183 CB GLU A 660 10.497 1.331 4.800 1.00 12.13 C ATOM 1184 CG GLU A 660 11.568 2.196 4.204 1.00 64.00 C ATOM 1185 CD GLU A 660 12.745 1.441 3.658 1.00 21.20 C ATOM 1186 OE1 GLU A 660 13.716 1.205 4.396 1.00 50.04 O ATOM 1187 OE2 GLU A 660 12.727 1.102 2.447 1.00 3.42 O ATOM 0 H GLU A 660 8.456 0.314 5.753 1.00 50.43 H new ATOM 0 HA GLU A 660 9.484 2.925 5.807 1.00 54.43 H new ATOM 0 HB2 GLU A 660 10.865 0.874 5.718 1.00 12.13 H new ATOM 0 HB3 GLU A 660 10.259 0.519 4.113 1.00 12.13 H new ATOM 0 HG2 GLU A 660 11.132 2.793 3.403 1.00 64.00 H new ATOM 0 HG3 GLU A 660 11.920 2.893 4.965 1.00 64.00 H new ATOM 1194 N THR A 661 8.145 1.846 2.966 1.00 52.41 N ATOM 1195 CA THR A 661 7.618 2.224 1.681 1.00 32.52 C ATOM 1196 C THR A 661 6.425 3.172 1.869 1.00 75.24 C ATOM 1197 O THR A 661 6.221 4.109 1.095 1.00 31.25 O ATOM 1198 CB THR A 661 7.191 0.954 0.920 1.00 71.10 C ATOM 1199 OG1 THR A 661 8.325 0.075 0.808 1.00 44.35 O ATOM 1200 CG2 THR A 661 6.670 1.282 -0.467 1.00 71.45 C ATOM 0 H THR A 661 8.043 0.854 3.181 1.00 52.41 H new ATOM 0 HA THR A 661 8.381 2.745 1.103 1.00 32.52 H new ATOM 0 HB THR A 661 6.385 0.474 1.476 1.00 71.10 H new ATOM 0 HG1 THR A 661 8.455 -0.401 1.655 1.00 44.35 H new ATOM 0 HG21 THR A 661 6.379 0.362 -0.973 1.00 71.45 H new ATOM 0 HG22 THR A 661 5.805 1.940 -0.385 1.00 71.45 H new ATOM 0 HG23 THR A 661 7.452 1.780 -1.041 1.00 71.45 H new ATOM 1208 N LEU A 662 5.680 2.922 2.914 1.00 41.32 N ATOM 1209 CA LEU A 662 4.532 3.704 3.299 1.00 24.12 C ATOM 1210 C LEU A 662 4.968 5.111 3.659 1.00 51.40 C ATOM 1211 O LEU A 662 4.504 6.056 3.043 1.00 61.10 O ATOM 1212 CB LEU A 662 3.814 2.960 4.480 1.00 70.11 C ATOM 1213 CG LEU A 662 2.548 3.538 5.163 1.00 63.23 C ATOM 1214 CD1 LEU A 662 2.829 4.785 5.942 1.00 65.44 C ATOM 1215 CD2 LEU A 662 1.447 3.774 4.179 1.00 14.04 C ATOM 0 H LEU A 662 5.862 2.140 3.544 1.00 41.32 H new ATOM 0 HA LEU A 662 3.821 3.805 2.479 1.00 24.12 H new ATOM 0 HB2 LEU A 662 3.549 1.969 4.113 1.00 70.11 H new ATOM 0 HB3 LEU A 662 4.559 2.821 5.264 1.00 70.11 H new ATOM 0 HG LEU A 662 2.219 2.779 5.873 1.00 63.23 H new ATOM 0 HD11 LEU A 662 1.907 5.145 6.398 1.00 65.44 H new ATOM 0 HD12 LEU A 662 3.560 4.570 6.722 1.00 65.44 H new ATOM 0 HD13 LEU A 662 3.226 5.550 5.274 1.00 65.44 H new ATOM 0 HD21 LEU A 662 0.577 4.179 4.696 1.00 14.04 H new ATOM 0 HD22 LEU A 662 1.782 4.483 3.422 1.00 14.04 H new ATOM 0 HD23 LEU A 662 1.178 2.832 3.701 1.00 14.04 H new ATOM 1227 N ARG A 663 5.902 5.238 4.615 1.00 24.44 N ATOM 1228 CA ARG A 663 6.383 6.559 5.070 1.00 31.32 C ATOM 1229 C ARG A 663 6.924 7.352 3.904 1.00 5.32 C ATOM 1230 O ARG A 663 6.581 8.519 3.708 1.00 51.53 O ATOM 1231 CB ARG A 663 7.477 6.415 6.139 1.00 61.21 C ATOM 1232 CG ARG A 663 7.028 5.716 7.401 1.00 72.33 C ATOM 1233 CD ARG A 663 8.171 5.550 8.393 1.00 63.41 C ATOM 1234 NE ARG A 663 8.678 6.832 8.898 1.00 23.31 N ATOM 1235 CZ ARG A 663 9.682 6.957 9.782 1.00 32.00 C ATOM 1236 NH1 ARG A 663 10.358 5.886 10.188 1.00 33.14 N ATOM 1237 NH2 ARG A 663 10.023 8.154 10.236 1.00 32.52 N ATOM 0 H ARG A 663 6.340 4.447 5.088 1.00 24.44 H new ATOM 0 HA ARG A 663 5.535 7.086 5.507 1.00 31.32 H new ATOM 0 HB2 ARG A 663 8.315 5.865 5.712 1.00 61.21 H new ATOM 0 HB3 ARG A 663 7.847 7.407 6.399 1.00 61.21 H new ATOM 0 HG2 ARG A 663 6.223 6.286 7.866 1.00 72.33 H new ATOM 0 HG3 ARG A 663 6.621 4.737 7.149 1.00 72.33 H new ATOM 0 HD2 ARG A 663 7.832 4.943 9.232 1.00 63.41 H new ATOM 0 HD3 ARG A 663 8.985 5.006 7.914 1.00 63.41 H new ATOM 0 HE ARG A 663 8.238 7.686 8.554 1.00 23.31 H new ATOM 0 HH11 ARG A 663 10.115 4.963 9.828 1.00 33.14 H new ATOM 0 HH12 ARG A 663 11.119 5.988 10.859 1.00 33.14 H new ATOM 0 HH21 ARG A 663 9.523 8.983 9.914 1.00 32.52 H new ATOM 0 HH22 ARG A 663 10.786 8.247 10.907 1.00 32.52 H new ATOM 1251 N ARG A 664 7.722 6.693 3.113 1.00 1.14 N ATOM 1252 CA ARG A 664 8.340 7.291 1.967 1.00 74.21 C ATOM 1253 C ARG A 664 7.315 7.722 0.928 1.00 12.22 C ATOM 1254 O ARG A 664 7.326 8.841 0.494 1.00 43.23 O ATOM 1255 CB ARG A 664 9.355 6.319 1.386 1.00 63.20 C ATOM 1256 CG ARG A 664 10.085 6.795 0.152 1.00 51.54 C ATOM 1257 CD ARG A 664 11.135 5.772 -0.242 1.00 72.52 C ATOM 1258 NE ARG A 664 12.136 5.615 0.824 1.00 71.44 N ATOM 1259 CZ ARG A 664 12.594 4.455 1.312 1.00 10.24 C ATOM 1260 NH1 ARG A 664 12.133 3.296 0.855 1.00 43.02 N ATOM 1261 NH2 ARG A 664 13.502 4.463 2.278 1.00 14.42 N ATOM 0 H ARG A 664 7.964 5.712 3.249 1.00 1.14 H new ATOM 0 HA ARG A 664 8.854 8.200 2.278 1.00 74.21 H new ATOM 0 HB2 ARG A 664 10.092 6.089 2.155 1.00 63.20 H new ATOM 0 HB3 ARG A 664 8.843 5.387 1.146 1.00 63.20 H new ATOM 0 HG2 ARG A 664 9.380 6.942 -0.666 1.00 51.54 H new ATOM 0 HG3 ARG A 664 10.556 7.759 0.344 1.00 51.54 H new ATOM 0 HD2 ARG A 664 10.658 4.813 -0.443 1.00 72.52 H new ATOM 0 HD3 ARG A 664 11.625 6.084 -1.164 1.00 72.52 H new ATOM 0 HE ARG A 664 12.517 6.470 1.230 1.00 71.44 H new ATOM 0 HH11 ARG A 664 11.422 3.283 0.124 1.00 43.02 H new ATOM 0 HH12 ARG A 664 12.490 2.419 1.235 1.00 43.02 H new ATOM 0 HH21 ARG A 664 13.848 5.349 2.645 1.00 14.42 H new ATOM 0 HH22 ARG A 664 13.855 3.583 2.654 1.00 14.42 H new ATOM 1275 N SER A 665 6.396 6.870 0.587 1.00 11.44 N ATOM 1276 CA SER A 665 5.478 7.194 -0.476 1.00 65.13 C ATOM 1277 C SER A 665 4.421 8.191 -0.019 1.00 12.34 C ATOM 1278 O SER A 665 3.987 9.039 -0.797 1.00 34.44 O ATOM 1279 CB SER A 665 4.837 5.932 -1.035 1.00 1.53 C ATOM 1280 OG SER A 665 5.841 5.023 -1.472 1.00 14.30 O ATOM 0 H SER A 665 6.258 5.956 1.019 1.00 11.44 H new ATOM 0 HA SER A 665 6.048 7.670 -1.274 1.00 65.13 H new ATOM 0 HB2 SER A 665 4.217 5.461 -0.272 1.00 1.53 H new ATOM 0 HB3 SER A 665 4.180 6.187 -1.867 1.00 1.53 H new ATOM 0 HG SER A 665 6.174 4.511 -0.706 1.00 14.30 H new ATOM 1286 N MET A 666 4.034 8.116 1.241 1.00 0.00 N ATOM 1287 CA MET A 666 3.010 9.012 1.756 1.00 43.23 C ATOM 1288 C MET A 666 3.556 10.418 1.909 1.00 63.13 C ATOM 1289 O MET A 666 2.836 11.389 1.735 1.00 22.42 O ATOM 1290 CB MET A 666 2.346 8.475 3.071 1.00 14.23 C ATOM 1291 CG MET A 666 3.221 8.394 4.332 1.00 74.30 C ATOM 1292 SD MET A 666 3.609 9.985 5.074 1.00 1.24 S ATOM 1293 CE MET A 666 1.969 10.546 5.514 1.00 64.51 C ATOM 0 H MET A 666 4.406 7.453 1.921 1.00 0.00 H new ATOM 0 HA MET A 666 2.206 9.051 1.021 1.00 43.23 H new ATOM 0 HB2 MET A 666 1.489 9.110 3.297 1.00 14.23 H new ATOM 0 HB3 MET A 666 1.958 7.477 2.867 1.00 14.23 H new ATOM 0 HG2 MET A 666 2.713 7.776 5.072 1.00 74.30 H new ATOM 0 HG3 MET A 666 4.153 7.888 4.080 1.00 74.30 H new ATOM 0 HE1 MET A 666 1.671 11.356 4.849 1.00 64.51 H new ATOM 0 HE2 MET A 666 1.264 9.720 5.418 1.00 64.51 H new ATOM 0 HE3 MET A 666 1.971 10.904 6.544 1.00 64.51 H new ATOM 1303 N SER A 667 4.837 10.514 2.188 1.00 42.02 N ATOM 1304 CA SER A 667 5.473 11.784 2.371 1.00 64.20 C ATOM 1305 C SER A 667 6.059 12.289 1.046 1.00 72.11 C ATOM 1306 O SER A 667 5.690 13.364 0.572 1.00 51.23 O ATOM 1307 CB SER A 667 6.565 11.655 3.443 1.00 53.13 C ATOM 1308 OG SER A 667 7.181 12.902 3.738 1.00 35.32 O ATOM 0 H SER A 667 5.459 9.712 2.293 1.00 42.02 H new ATOM 0 HA SER A 667 4.735 12.514 2.705 1.00 64.20 H new ATOM 0 HB2 SER A 667 6.130 11.243 4.354 1.00 53.13 H new ATOM 0 HB3 SER A 667 7.323 10.949 3.103 1.00 53.13 H new ATOM 0 HG SER A 667 7.867 12.773 4.425 1.00 35.32 H new ATOM 1314 N THR A 668 6.919 11.481 0.422 1.00 33.43 N ATOM 1315 CA THR A 668 7.631 11.879 -0.787 1.00 41.25 C ATOM 1316 C THR A 668 6.696 12.159 -1.952 1.00 1.32 C ATOM 1317 O THR A 668 6.810 13.190 -2.621 1.00 11.25 O ATOM 1318 CB THR A 668 8.654 10.803 -1.178 1.00 51.40 C ATOM 1319 OG1 THR A 668 9.569 10.621 -0.088 1.00 74.43 O ATOM 1320 CG2 THR A 668 9.429 11.171 -2.437 1.00 63.53 C ATOM 0 H THR A 668 7.138 10.537 0.741 1.00 33.43 H new ATOM 0 HA THR A 668 8.147 12.812 -0.560 1.00 41.25 H new ATOM 0 HB THR A 668 8.112 9.882 -1.390 1.00 51.40 H new ATOM 0 HG1 THR A 668 9.209 9.954 0.534 1.00 74.43 H new ATOM 0 HG21 THR A 668 10.139 10.378 -2.672 1.00 63.53 H new ATOM 0 HG22 THR A 668 8.735 11.294 -3.268 1.00 63.53 H new ATOM 0 HG23 THR A 668 9.968 12.104 -2.273 1.00 63.53 H new ATOM 1328 N GLU A 669 5.773 11.266 -2.178 1.00 54.41 N ATOM 1329 CA GLU A 669 4.868 11.412 -3.265 1.00 3.30 C ATOM 1330 C GLU A 669 3.648 12.241 -2.814 1.00 53.42 C ATOM 1331 O GLU A 669 3.125 13.067 -3.562 1.00 34.12 O ATOM 1332 CB GLU A 669 4.456 10.021 -3.752 1.00 30.44 C ATOM 1333 CG GLU A 669 3.598 10.019 -4.979 1.00 64.04 C ATOM 1334 CD GLU A 669 4.313 10.571 -6.185 1.00 11.33 C ATOM 1335 OE1 GLU A 669 4.482 11.779 -6.276 1.00 41.14 O ATOM 1336 OE2 GLU A 669 4.726 9.787 -7.064 1.00 72.22 O ATOM 0 H GLU A 669 5.634 10.427 -1.615 1.00 54.41 H new ATOM 0 HA GLU A 669 5.342 11.942 -4.091 1.00 3.30 H new ATOM 0 HB2 GLU A 669 5.356 9.440 -3.953 1.00 30.44 H new ATOM 0 HB3 GLU A 669 3.921 9.513 -2.950 1.00 30.44 H new ATOM 0 HG2 GLU A 669 3.272 9.000 -5.189 1.00 64.04 H new ATOM 0 HG3 GLU A 669 2.700 10.608 -4.792 1.00 64.04 H new ATOM 1343 N GLY A 670 3.245 12.051 -1.564 1.00 55.24 N ATOM 1344 CA GLY A 670 2.074 12.732 -1.033 1.00 51.21 C ATOM 1345 C GLY A 670 2.228 14.233 -0.993 1.00 43.11 C ATOM 1346 O GLY A 670 1.388 14.968 -1.528 1.00 55.42 O ATOM 0 H GLY A 670 3.712 11.432 -0.901 1.00 55.24 H new ATOM 0 HA2 GLY A 670 1.206 12.478 -1.642 1.00 51.21 H new ATOM 0 HA3 GLY A 670 1.874 12.366 -0.026 1.00 51.21 H new ATOM 1350 N ASN A 671 3.319 14.700 -0.412 1.00 61.13 N ATOM 1351 CA ASN A 671 3.553 16.142 -0.268 1.00 2.20 C ATOM 1352 C ASN A 671 4.028 16.740 -1.611 1.00 41.15 C ATOM 1353 O ASN A 671 4.240 17.948 -1.745 1.00 40.15 O ATOM 1354 CB ASN A 671 4.567 16.416 0.873 1.00 32.01 C ATOM 1355 CG ASN A 671 4.732 17.901 1.215 1.00 14.11 C ATOM 1356 OD1 ASN A 671 3.806 18.694 1.066 1.00 35.31 O ATOM 1357 ND2 ASN A 671 5.897 18.274 1.693 1.00 13.51 N ATOM 0 H ASN A 671 4.060 14.111 -0.031 1.00 61.13 H new ATOM 0 HA ASN A 671 2.617 16.631 0.002 1.00 2.20 H new ATOM 0 HB2 ASN A 671 4.246 15.881 1.767 1.00 32.01 H new ATOM 0 HB3 ASN A 671 5.537 16.009 0.589 1.00 32.01 H new ATOM 0 HD21 ASN A 671 6.053 19.248 1.953 1.00 13.51 H new ATOM 0 HD22 ASN A 671 6.645 17.590 1.804 1.00 13.51 H new ATOM 1364 N LYS A 672 4.194 15.874 -2.601 1.00 72.22 N ATOM 1365 CA LYS A 672 4.552 16.299 -3.940 1.00 55.04 C ATOM 1366 C LYS A 672 3.295 16.634 -4.717 1.00 54.20 C ATOM 1367 O LYS A 672 3.201 17.669 -5.361 1.00 22.44 O ATOM 1368 CB LYS A 672 5.317 15.196 -4.678 1.00 51.24 C ATOM 1369 CG LYS A 672 5.685 15.558 -6.114 1.00 70.20 C ATOM 1370 CD LYS A 672 6.375 14.413 -6.842 1.00 43.30 C ATOM 1371 CE LYS A 672 7.687 14.027 -6.186 1.00 31.41 C ATOM 1372 NZ LYS A 672 8.390 12.962 -6.937 1.00 42.34 N ATOM 0 H LYS A 672 4.085 14.865 -2.497 1.00 72.22 H new ATOM 0 HA LYS A 672 5.192 17.178 -3.861 1.00 55.04 H new ATOM 0 HB2 LYS A 672 6.228 14.967 -4.126 1.00 51.24 H new ATOM 0 HB3 LYS A 672 4.712 14.289 -4.685 1.00 51.24 H new ATOM 0 HG2 LYS A 672 4.783 15.840 -6.657 1.00 70.20 H new ATOM 0 HG3 LYS A 672 6.340 16.429 -6.110 1.00 70.20 H new ATOM 0 HD2 LYS A 672 5.713 13.547 -6.864 1.00 43.30 H new ATOM 0 HD3 LYS A 672 6.559 14.701 -7.877 1.00 43.30 H new ATOM 0 HE2 LYS A 672 8.329 14.905 -6.115 1.00 31.41 H new ATOM 0 HE3 LYS A 672 7.497 13.688 -5.168 1.00 31.41 H new ATOM 0 HZ1 LYS A 672 9.281 12.728 -6.455 1.00 42.34 H new ATOM 0 HZ2 LYS A 672 7.789 12.115 -6.983 1.00 42.34 H new ATOM 0 HZ3 LYS A 672 8.595 13.294 -7.901 1.00 42.34 H new ATOM 1386 N ARG A 673 2.324 15.754 -4.637 1.00 61.32 N ATOM 1387 CA ARG A 673 1.081 15.923 -5.375 1.00 44.31 C ATOM 1388 C ARG A 673 0.183 16.920 -4.667 1.00 11.12 C ATOM 1389 O ARG A 673 -0.640 17.588 -5.290 1.00 24.44 O ATOM 1390 CB ARG A 673 0.358 14.579 -5.496 1.00 3.41 C ATOM 1391 CG ARG A 673 1.222 13.470 -6.061 1.00 51.04 C ATOM 1392 CD ARG A 673 1.708 13.767 -7.468 1.00 24.42 C ATOM 1393 NE ARG A 673 2.654 12.752 -7.904 1.00 42.15 N ATOM 1394 CZ ARG A 673 2.770 12.254 -9.125 1.00 61.54 C ATOM 1395 NH1 ARG A 673 1.980 12.666 -10.103 1.00 23.33 N ATOM 1396 NH2 ARG A 673 3.675 11.324 -9.355 1.00 12.24 N ATOM 0 H ARG A 673 2.366 14.909 -4.068 1.00 61.32 H new ATOM 0 HA ARG A 673 1.315 16.298 -6.371 1.00 44.31 H new ATOM 0 HB2 ARG A 673 -0.002 14.281 -4.512 1.00 3.41 H new ATOM 0 HB3 ARG A 673 -0.518 14.704 -6.132 1.00 3.41 H new ATOM 0 HG2 ARG A 673 2.082 13.316 -5.409 1.00 51.04 H new ATOM 0 HG3 ARG A 673 0.655 12.539 -6.066 1.00 51.04 H new ATOM 0 HD2 ARG A 673 0.860 13.801 -8.152 1.00 24.42 H new ATOM 0 HD3 ARG A 673 2.180 14.749 -7.497 1.00 24.42 H new ATOM 0 HE ARG A 673 3.293 12.387 -7.197 1.00 42.15 H new ATOM 0 HH11 ARG A 673 1.271 13.376 -9.921 1.00 23.33 H new ATOM 0 HH12 ARG A 673 2.080 12.274 -11.039 1.00 23.33 H new ATOM 0 HH21 ARG A 673 4.274 10.997 -8.597 1.00 12.24 H new ATOM 0 HH22 ARG A 673 3.776 10.931 -10.291 1.00 12.24 H new ATOM 1410 N GLY A 674 0.337 17.008 -3.361 1.00 72.45 N ATOM 1411 CA GLY A 674 -0.479 17.900 -2.565 1.00 24.53 C ATOM 1412 C GLY A 674 -1.609 17.138 -1.925 1.00 71.55 C ATOM 1413 O GLY A 674 -2.278 17.621 -1.003 1.00 33.22 O ATOM 0 H GLY A 674 1.021 16.471 -2.828 1.00 72.45 H new ATOM 0 HA2 GLY A 674 0.131 18.374 -1.796 1.00 24.53 H new ATOM 0 HA3 GLY A 674 -0.878 18.697 -3.192 1.00 24.53 H new ATOM 1417 N MET A 675 -1.802 15.938 -2.408 1.00 32.22 N ATOM 1418 CA MET A 675 -2.810 15.041 -1.929 1.00 12.24 C ATOM 1419 C MET A 675 -2.307 13.627 -2.079 1.00 33.34 C ATOM 1420 O MET A 675 -1.562 13.320 -3.013 1.00 12.34 O ATOM 1421 CB MET A 675 -4.148 15.252 -2.670 1.00 33.42 C ATOM 1422 CG MET A 675 -4.060 15.065 -4.181 1.00 22.34 C ATOM 1423 SD MET A 675 -5.575 15.525 -5.057 1.00 2.53 S ATOM 1424 CE MET A 675 -6.775 14.423 -4.314 1.00 41.52 C ATOM 0 H MET A 675 -1.243 15.551 -3.168 1.00 32.22 H new ATOM 0 HA MET A 675 -3.007 15.242 -0.876 1.00 12.24 H new ATOM 0 HB2 MET A 675 -4.886 14.556 -2.271 1.00 33.42 H new ATOM 0 HB3 MET A 675 -4.513 16.257 -2.460 1.00 33.42 H new ATOM 0 HG2 MET A 675 -3.233 15.662 -4.565 1.00 22.34 H new ATOM 0 HG3 MET A 675 -3.828 14.022 -4.397 1.00 22.34 H new ATOM 0 HE1 MET A 675 -7.738 14.547 -4.809 1.00 41.52 H new ATOM 0 HE2 MET A 675 -6.440 13.392 -4.426 1.00 41.52 H new ATOM 0 HE3 MET A 675 -6.878 14.658 -3.255 1.00 41.52 H new ATOM 1434 N ILE A 676 -2.683 12.806 -1.168 1.00 62.41 N ATOM 1435 CA ILE A 676 -2.271 11.443 -1.133 1.00 71.54 C ATOM 1436 C ILE A 676 -3.454 10.520 -1.430 1.00 73.44 C ATOM 1437 O ILE A 676 -4.574 10.801 -1.054 1.00 41.13 O ATOM 1438 CB ILE A 676 -1.596 11.093 0.239 1.00 11.24 C ATOM 1439 CG1 ILE A 676 -1.329 9.592 0.341 1.00 2.31 C ATOM 1440 CG2 ILE A 676 -2.430 11.588 1.410 1.00 60.33 C ATOM 1441 CD1 ILE A 676 -0.612 9.154 1.560 1.00 54.24 C ATOM 0 H ILE A 676 -3.304 13.067 -0.402 1.00 62.41 H new ATOM 0 HA ILE A 676 -1.522 11.289 -1.910 1.00 71.54 H new ATOM 0 HB ILE A 676 -0.637 11.610 0.284 1.00 11.24 H new ATOM 0 HG12 ILE A 676 -2.283 9.067 0.293 1.00 2.31 H new ATOM 0 HG13 ILE A 676 -0.751 9.283 -0.530 1.00 2.31 H new ATOM 0 HG21 ILE A 676 -1.934 11.329 2.345 1.00 60.33 H new ATOM 0 HG22 ILE A 676 -2.541 12.670 1.346 1.00 60.33 H new ATOM 0 HG23 ILE A 676 -3.414 11.120 1.380 1.00 60.33 H new ATOM 0 HD11 ILE A 676 -0.474 8.073 1.532 1.00 54.24 H new ATOM 0 HD12 ILE A 676 0.361 9.643 1.605 1.00 54.24 H new ATOM 0 HD13 ILE A 676 -1.194 9.423 2.441 1.00 54.24 H new ATOM 1453 N GLN A 677 -3.189 9.456 -2.127 1.00 42.55 N ATOM 1454 CA GLN A 677 -4.204 8.502 -2.513 1.00 12.42 C ATOM 1455 C GLN A 677 -4.028 7.213 -1.727 1.00 70.22 C ATOM 1456 O GLN A 677 -2.927 6.698 -1.626 1.00 51.24 O ATOM 1457 CB GLN A 677 -4.115 8.238 -4.015 1.00 4.30 C ATOM 1458 CG GLN A 677 -5.165 7.287 -4.548 1.00 73.23 C ATOM 1459 CD GLN A 677 -5.214 7.236 -6.069 1.00 63.52 C ATOM 1460 OE1 GLN A 677 -5.549 6.211 -6.652 1.00 63.03 O ATOM 1461 NE2 GLN A 677 -4.915 8.333 -6.717 1.00 1.31 N ATOM 0 H GLN A 677 -2.252 9.216 -2.451 1.00 42.55 H new ATOM 0 HA GLN A 677 -5.190 8.908 -2.289 1.00 12.42 H new ATOM 0 HB2 GLN A 677 -4.201 9.187 -4.544 1.00 4.30 H new ATOM 0 HB3 GLN A 677 -3.128 7.834 -4.242 1.00 4.30 H new ATOM 0 HG2 GLN A 677 -4.968 6.286 -4.164 1.00 73.23 H new ATOM 0 HG3 GLN A 677 -6.142 7.587 -4.170 1.00 73.23 H new ATOM 0 HE21 GLN A 677 -4.640 9.170 -6.203 1.00 1.31 H new ATOM 0 HE22 GLN A 677 -4.957 8.351 -7.736 1.00 1.31 H new ATOM 1470 N LEU A 678 -5.089 6.720 -1.163 1.00 22.21 N ATOM 1471 CA LEU A 678 -5.033 5.512 -0.374 1.00 45.04 C ATOM 1472 C LEU A 678 -6.051 4.522 -0.881 1.00 31.25 C ATOM 1473 O LEU A 678 -7.234 4.844 -0.988 1.00 54.41 O ATOM 1474 CB LEU A 678 -5.364 5.777 1.125 1.00 61.53 C ATOM 1475 CG LEU A 678 -4.514 6.788 1.912 1.00 45.50 C ATOM 1476 CD1 LEU A 678 -3.039 6.444 1.842 1.00 74.42 C ATOM 1477 CD2 LEU A 678 -4.797 8.229 1.483 1.00 4.13 C ATOM 0 H LEU A 678 -6.017 7.137 -1.232 1.00 22.21 H new ATOM 0 HA LEU A 678 -4.017 5.128 -0.461 1.00 45.04 H new ATOM 0 HB2 LEU A 678 -6.401 6.108 1.179 1.00 61.53 H new ATOM 0 HB3 LEU A 678 -5.306 4.822 1.648 1.00 61.53 H new ATOM 0 HG LEU A 678 -4.808 6.716 2.959 1.00 45.50 H new ATOM 0 HD11 LEU A 678 -2.467 7.179 2.409 1.00 74.42 H new ATOM 0 HD12 LEU A 678 -2.876 5.453 2.265 1.00 74.42 H new ATOM 0 HD13 LEU A 678 -2.712 6.453 0.802 1.00 74.42 H new ATOM 0 HD21 LEU A 678 -4.175 8.910 2.064 1.00 4.13 H new ATOM 0 HD22 LEU A 678 -4.569 8.344 0.423 1.00 4.13 H new ATOM 0 HD23 LEU A 678 -5.848 8.460 1.656 1.00 4.13 H new ATOM 1489 N ILE A 679 -5.609 3.353 -1.213 1.00 21.42 N ATOM 1490 CA ILE A 679 -6.516 2.288 -1.518 1.00 64.24 C ATOM 1491 C ILE A 679 -6.514 1.391 -0.320 1.00 33.33 C ATOM 1492 O ILE A 679 -5.455 0.889 0.082 1.00 31.33 O ATOM 1493 CB ILE A 679 -6.161 1.437 -2.801 1.00 5.15 C ATOM 1494 CG1 ILE A 679 -6.191 2.262 -4.102 1.00 31.55 C ATOM 1495 CG2 ILE A 679 -7.126 0.269 -2.935 1.00 51.12 C ATOM 1496 CD1 ILE A 679 -5.113 3.294 -4.231 1.00 44.54 C ATOM 0 H ILE A 679 -4.621 3.108 -1.281 1.00 21.42 H new ATOM 0 HA ILE A 679 -7.485 2.732 -1.745 1.00 64.24 H new ATOM 0 HB ILE A 679 -5.140 1.081 -2.661 1.00 5.15 H new ATOM 0 HG12 ILE A 679 -6.120 1.578 -4.948 1.00 31.55 H new ATOM 0 HG13 ILE A 679 -7.158 2.760 -4.175 1.00 31.55 H new ATOM 0 HG21 ILE A 679 -6.873 -0.312 -3.822 1.00 51.12 H new ATOM 0 HG22 ILE A 679 -7.053 -0.366 -2.052 1.00 51.12 H new ATOM 0 HG23 ILE A 679 -8.144 0.647 -3.027 1.00 51.12 H new ATOM 0 HD11 ILE A 679 -5.223 3.818 -5.180 1.00 44.54 H new ATOM 0 HD12 ILE A 679 -5.192 4.008 -3.411 1.00 44.54 H new ATOM 0 HD13 ILE A 679 -4.138 2.808 -4.196 1.00 44.54 H new ATOM 1508 N VAL A 680 -7.646 1.210 0.255 1.00 30.35 N ATOM 1509 CA VAL A 680 -7.780 0.416 1.434 1.00 31.24 C ATOM 1510 C VAL A 680 -8.783 -0.702 1.190 1.00 61.10 C ATOM 1511 O VAL A 680 -9.674 -0.576 0.331 1.00 64.35 O ATOM 1512 CB VAL A 680 -8.176 1.286 2.667 1.00 31.21 C ATOM 1513 CG1 VAL A 680 -7.048 2.223 3.054 1.00 60.41 C ATOM 1514 CG2 VAL A 680 -9.455 2.077 2.418 1.00 54.01 C ATOM 0 H VAL A 680 -8.522 1.612 -0.080 1.00 30.35 H new ATOM 0 HA VAL A 680 -6.813 -0.031 1.665 1.00 31.24 H new ATOM 0 HB VAL A 680 -8.364 0.601 3.494 1.00 31.21 H new ATOM 0 HG11 VAL A 680 -7.349 2.818 3.916 1.00 60.41 H new ATOM 0 HG12 VAL A 680 -6.162 1.641 3.307 1.00 60.41 H new ATOM 0 HG13 VAL A 680 -6.821 2.884 2.218 1.00 60.41 H new ATOM 0 HG21 VAL A 680 -9.695 2.669 3.301 1.00 54.01 H new ATOM 0 HG22 VAL A 680 -9.312 2.740 1.565 1.00 54.01 H new ATOM 0 HG23 VAL A 680 -10.274 1.388 2.210 1.00 54.01 H new ATOM 1524 N ALA A 681 -8.629 -1.782 1.901 1.00 53.05 N ATOM 1525 CA ALA A 681 -9.429 -2.948 1.697 1.00 53.50 C ATOM 1526 C ALA A 681 -10.056 -3.422 2.979 1.00 42.40 C ATOM 1527 O ALA A 681 -9.356 -3.692 3.973 1.00 10.10 O ATOM 1528 CB ALA A 681 -8.580 -4.063 1.167 1.00 33.11 C ATOM 0 H ALA A 681 -7.937 -1.875 2.645 1.00 53.05 H new ATOM 0 HA ALA A 681 -10.213 -2.679 0.989 1.00 53.50 H new ATOM 0 HB1 ALA A 681 -9.197 -4.949 1.014 1.00 33.11 H new ATOM 0 HB2 ALA A 681 -8.135 -3.762 0.218 1.00 33.11 H new ATOM 0 HB3 ALA A 681 -7.790 -4.290 1.883 1.00 33.11 H new ATOM 1534 N ARG A 682 -11.340 -3.578 2.970 1.00 53.02 N ATOM 1535 CA ARG A 682 -12.008 -4.117 4.120 1.00 63.45 C ATOM 1536 C ARG A 682 -12.517 -5.493 3.758 1.00 52.52 C ATOM 1537 O ARG A 682 -13.216 -5.659 2.755 1.00 73.32 O ATOM 1538 CB ARG A 682 -13.105 -3.148 4.667 1.00 52.01 C ATOM 1539 CG ARG A 682 -14.329 -2.878 3.777 1.00 75.23 C ATOM 1540 CD ARG A 682 -15.388 -3.943 3.934 1.00 63.41 C ATOM 1541 NE ARG A 682 -16.541 -3.731 3.054 1.00 14.24 N ATOM 1542 CZ ARG A 682 -17.662 -4.461 3.079 1.00 44.04 C ATOM 1543 NH1 ARG A 682 -17.820 -5.400 4.002 1.00 72.00 N ATOM 1544 NH2 ARG A 682 -18.628 -4.230 2.195 1.00 53.15 N ATOM 0 H ARG A 682 -11.949 -3.343 2.186 1.00 53.02 H new ATOM 0 HA ARG A 682 -11.315 -4.220 4.955 1.00 63.45 H new ATOM 0 HB2 ARG A 682 -13.462 -3.548 5.616 1.00 52.01 H new ATOM 0 HB3 ARG A 682 -12.630 -2.191 4.883 1.00 52.01 H new ATOM 0 HG2 ARG A 682 -14.753 -1.906 4.028 1.00 75.23 H new ATOM 0 HG3 ARG A 682 -14.015 -2.829 2.734 1.00 75.23 H new ATOM 0 HD2 ARG A 682 -14.950 -4.919 3.723 1.00 63.41 H new ATOM 0 HD3 ARG A 682 -15.726 -3.963 4.970 1.00 63.41 H new ATOM 0 HE ARG A 682 -16.485 -2.973 2.374 1.00 14.24 H new ATOM 0 HH11 ARG A 682 -17.087 -5.565 4.692 1.00 72.00 H new ATOM 0 HH12 ARG A 682 -18.674 -5.957 4.022 1.00 72.00 H new ATOM 0 HH21 ARG A 682 -18.515 -3.495 1.496 1.00 53.15 H new ATOM 0 HH22 ARG A 682 -19.482 -4.787 2.215 1.00 53.15 H new ATOM 1839 N GLU B 780 5.670 -1.391 15.449 1.00 11.10 N ATOM 1840 CA GLU B 780 4.826 -2.034 14.455 1.00 14.25 C ATOM 1841 C GLU B 780 3.567 -1.205 14.275 1.00 54.41 C ATOM 1842 O GLU B 780 2.617 -1.596 13.598 1.00 24.14 O ATOM 1843 CB GLU B 780 4.517 -3.480 14.837 1.00 52.54 C ATOM 1844 CG GLU B 780 5.767 -4.336 14.931 1.00 52.44 C ATOM 1845 CD GLU B 780 5.492 -5.774 15.297 1.00 2.54 C ATOM 1846 OE1 GLU B 780 5.227 -6.593 14.394 1.00 64.13 O ATOM 1847 OE2 GLU B 780 5.558 -6.115 16.481 1.00 24.25 O ATOM 0 HA GLU B 780 5.353 -2.082 13.502 1.00 14.25 H new ATOM 0 HB2 GLU B 780 3.997 -3.496 15.795 1.00 52.54 H new ATOM 0 HB3 GLU B 780 3.840 -3.911 14.099 1.00 52.54 H new ATOM 0 HG2 GLU B 780 6.289 -4.307 13.975 1.00 52.44 H new ATOM 0 HG3 GLU B 780 6.438 -3.903 15.673 1.00 52.44 H new ATOM 1854 N GLU B 781 3.615 -0.051 14.890 1.00 41.32 N ATOM 1855 CA GLU B 781 2.624 1.001 14.803 1.00 33.34 C ATOM 1856 C GLU B 781 3.276 2.199 14.159 1.00 63.21 C ATOM 1857 O GLU B 781 4.420 2.536 14.475 1.00 34.55 O ATOM 1858 CB GLU B 781 2.135 1.385 16.193 1.00 11.40 C ATOM 1859 CG GLU B 781 1.228 0.378 16.849 1.00 11.40 C ATOM 1860 CD GLU B 781 1.061 0.618 18.338 1.00 63.53 C ATOM 1861 OE1 GLU B 781 1.937 0.218 19.113 1.00 14.34 O ATOM 1862 OE2 GLU B 781 0.053 1.195 18.749 1.00 75.41 O ATOM 0 H GLU B 781 4.392 0.198 15.502 1.00 41.32 H new ATOM 0 HA GLU B 781 1.771 0.658 14.218 1.00 33.34 H new ATOM 0 HB2 GLU B 781 3.001 1.544 16.835 1.00 11.40 H new ATOM 0 HB3 GLU B 781 1.608 2.337 16.126 1.00 11.40 H new ATOM 0 HG2 GLU B 781 0.250 0.410 16.369 1.00 11.40 H new ATOM 0 HG3 GLU B 781 1.629 -0.623 16.690 1.00 11.40 H new ATOM 1869 N LEU B 782 2.589 2.815 13.258 1.00 42.42 N ATOM 1870 CA LEU B 782 3.079 3.939 12.568 1.00 51.33 C ATOM 1871 C LEU B 782 1.985 4.997 12.458 1.00 44.44 C ATOM 1872 O LEU B 782 0.858 4.695 12.095 1.00 2.41 O ATOM 1873 CB LEU B 782 3.511 3.475 11.198 1.00 73.13 C ATOM 1874 CG LEU B 782 4.068 4.507 10.286 1.00 4.23 C ATOM 1875 CD1 LEU B 782 5.322 5.101 10.871 1.00 32.24 C ATOM 1876 CD2 LEU B 782 4.338 3.893 8.958 1.00 22.33 C ATOM 0 H LEU B 782 1.648 2.537 12.980 1.00 42.42 H new ATOM 0 HA LEU B 782 3.921 4.385 13.097 1.00 51.33 H new ATOM 0 HB2 LEU B 782 4.260 2.694 11.325 1.00 73.13 H new ATOM 0 HB3 LEU B 782 2.652 3.017 10.708 1.00 73.13 H new ATOM 0 HG LEU B 782 3.345 5.313 10.162 1.00 4.23 H new ATOM 0 HD11 LEU B 782 5.719 5.855 10.192 1.00 32.24 H new ATOM 0 HD12 LEU B 782 5.092 5.562 11.831 1.00 32.24 H new ATOM 0 HD13 LEU B 782 6.064 4.316 11.014 1.00 32.24 H new ATOM 0 HD21 LEU B 782 4.747 4.647 8.285 1.00 22.33 H new ATOM 0 HD22 LEU B 782 5.056 3.081 9.072 1.00 22.33 H new ATOM 0 HD23 LEU B 782 3.409 3.501 8.543 1.00 22.33 H new ATOM 1888 N ILE B 783 2.308 6.209 12.801 1.00 32.11 N ATOM 1889 CA ILE B 783 1.355 7.301 12.702 1.00 34.35 C ATOM 1890 C ILE B 783 1.643 8.126 11.458 1.00 44.23 C ATOM 1891 O ILE B 783 2.787 8.566 11.241 1.00 71.44 O ATOM 1892 CB ILE B 783 1.350 8.252 13.963 1.00 53.13 C ATOM 1893 CG1 ILE B 783 0.922 7.523 15.263 1.00 22.54 C ATOM 1894 CG2 ILE B 783 0.450 9.474 13.730 1.00 20.15 C ATOM 1895 CD1 ILE B 783 1.904 6.488 15.795 1.00 35.04 C ATOM 0 H ILE B 783 3.226 6.478 13.155 1.00 32.11 H new ATOM 0 HA ILE B 783 0.369 6.841 12.645 1.00 34.35 H new ATOM 0 HB ILE B 783 2.380 8.583 14.097 1.00 53.13 H new ATOM 0 HG12 ILE B 783 0.755 8.271 16.039 1.00 22.54 H new ATOM 0 HG13 ILE B 783 -0.034 7.031 15.084 1.00 22.54 H new ATOM 0 HG21 ILE B 783 0.466 10.111 14.614 1.00 20.15 H new ATOM 0 HG22 ILE B 783 0.815 10.037 12.871 1.00 20.15 H new ATOM 0 HG23 ILE B 783 -0.571 9.143 13.539 1.00 20.15 H new ATOM 0 HD11 ILE B 783 1.504 6.041 16.705 1.00 35.04 H new ATOM 0 HD12 ILE B 783 2.055 5.711 15.046 1.00 35.04 H new ATOM 0 HD13 ILE B 783 2.857 6.970 16.015 1.00 35.04 H new ATOM 1907 N ILE B 784 0.632 8.336 10.649 1.00 3.11 N ATOM 1908 CA ILE B 784 0.770 9.112 9.477 1.00 64.23 C ATOM 1909 C ILE B 784 -0.128 10.315 9.555 1.00 2.22 C ATOM 1910 O ILE B 784 0.204 11.240 10.288 1.00 37.71 O ATOM 1911 CB ILE B 784 0.522 8.293 8.183 1.00 4.24 C ATOM 1912 CG1 ILE B 784 -0.792 7.484 8.248 1.00 52.42 C ATOM 1913 CG2 ILE B 784 1.706 7.401 7.895 1.00 53.35 C ATOM 1914 CD1 ILE B 784 -1.105 6.686 6.994 1.00 11.33 C ATOM 1915 OXT ILE B 784 -1.170 10.331 8.942 1.00 37.71 O ATOM 0 H ILE B 784 -0.306 7.965 10.801 1.00 3.11 H new ATOM 0 HA ILE B 784 1.805 9.448 9.419 1.00 64.23 H new ATOM 0 HB ILE B 784 0.410 8.998 7.359 1.00 4.24 H new ATOM 0 HG12 ILE B 784 -0.741 6.800 9.095 1.00 52.42 H new ATOM 0 HG13 ILE B 784 -1.617 8.170 8.442 1.00 52.42 H new ATOM 0 HG21 ILE B 784 1.520 6.832 6.984 1.00 53.35 H new ATOM 0 HG22 ILE B 784 2.599 8.012 7.764 1.00 53.35 H new ATOM 0 HG23 ILE B 784 1.855 6.714 8.728 1.00 53.35 H new ATOM 0 HD11 ILE B 784 -2.044 6.150 7.129 1.00 11.33 H new ATOM 0 HD12 ILE B 784 -1.192 7.363 6.144 1.00 11.33 H new ATOM 0 HD13 ILE B 784 -0.303 5.972 6.808 1.00 11.33 H new