USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 19 LYS NZ :NH3+ 180:sc= 0.834 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.726 USER MOD Single : A 4 GLN : amide:sc= -0.0442 K(o=-0.044,f=-1.5!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0473) USER MOD Single : A 34 ASN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 35 THR OG1 : rot 107:sc= 0.0953 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.138 (180deg=-0.702) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.12 K(o=-2.1,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 72 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.981 F(o=-2.1,f=-0.98) USER MOD Single : A 82 MET CE :methyl -159:sc= -0.0456 (180deg=-0.655) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -150:sc=-0.00701 USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= -0.147 (180deg=-1.94!) USER MOD Single : A 91 SER OG : rot 124:sc= 0.248 USER MOD Single : A 92 ASN : amide:sc= -2.55 K(o=-2.5,f=-5.5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.134 F(o=-0.86,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.225 -3.323 4.508 1.00 11.41 N ATOM 19 CA ALA A 3 10.212 -4.340 4.250 1.00 75.14 C ATOM 20 C ALA A 3 9.555 -4.802 5.545 1.00 50.31 C ATOM 21 O ALA A 3 10.072 -5.683 6.233 1.00 62.31 O ATOM 22 CB ALA A 3 10.825 -5.522 3.515 1.00 54.32 C ATOM 0 HA ALA A 3 9.440 -3.897 3.621 1.00 75.14 H new ATOM 0 HB1 ALA A 3 10.057 -6.273 3.329 1.00 54.32 H new ATOM 0 HB2 ALA A 3 11.240 -5.184 2.565 1.00 54.32 H new ATOM 0 HB3 ALA A 3 11.618 -5.957 4.123 1.00 54.32 H new ATOM 28 N GLN A 4 8.416 -4.202 5.873 1.00 4.04 N ATOM 29 CA GLN A 4 7.689 -4.553 7.088 1.00 51.15 C ATOM 30 C GLN A 4 6.636 -5.618 6.803 1.00 33.21 C ATOM 31 O GLN A 4 5.875 -5.511 5.842 1.00 1.31 O ATOM 32 CB GLN A 4 7.029 -3.312 7.688 1.00 60.30 C ATOM 33 CG GLN A 4 6.232 -3.597 8.952 1.00 0.41 C ATOM 34 CD GLN A 4 7.088 -3.558 10.202 1.00 12.01 C ATOM 35 OE1 GLN A 4 8.298 -3.337 10.135 1.00 73.22 O ATOM 36 NE2 GLN A 4 6.463 -3.772 11.354 1.00 5.25 N ATOM 0 H GLN A 4 7.976 -3.470 5.315 1.00 4.04 H new ATOM 0 HA GLN A 4 8.403 -4.958 7.805 1.00 51.15 H new ATOM 0 HB2 GLN A 4 7.799 -2.574 7.913 1.00 60.30 H new ATOM 0 HB3 GLN A 4 6.368 -2.867 6.944 1.00 60.30 H new ATOM 0 HG2 GLN A 4 5.429 -2.866 9.043 1.00 0.41 H new ATOM 0 HG3 GLN A 4 5.763 -4.577 8.868 1.00 0.41 H new ATOM 0 HE21 GLN A 4 5.459 -3.951 11.364 1.00 5.25 H new ATOM 0 HE22 GLN A 4 6.987 -3.757 12.229 1.00 5.25 H new ATOM 43 N ASN A 5 6.596 -6.644 7.647 1.00 71.23 N ATOM 44 CA ASN A 5 5.635 -7.730 7.487 1.00 73.24 C ATOM 45 C ASN A 5 4.302 -7.377 8.138 1.00 73.54 C ATOM 46 O ASN A 5 4.233 -7.136 9.343 1.00 21.25 O ATOM 47 CB ASN A 5 6.187 -9.021 8.093 1.00 2.22 C ATOM 48 CG ASN A 5 6.323 -10.130 7.069 1.00 12.33 C ATOM 49 OD1 ASN A 5 7.139 -10.046 6.151 1.00 32.21 O ATOM 50 ND2 ASN A 5 5.521 -11.177 7.220 1.00 4.30 N ATOM 0 H ASN A 5 7.218 -6.746 8.449 1.00 71.23 H new ATOM 0 HA ASN A 5 5.469 -7.881 6.420 1.00 73.24 H new ATOM 0 HB2 ASN A 5 7.161 -8.822 8.540 1.00 2.22 H new ATOM 0 HB3 ASN A 5 5.529 -9.352 8.897 1.00 2.22 H new ATOM 0 HD21 ASN A 5 5.566 -11.954 6.560 1.00 4.30 H new ATOM 0 HD22 ASN A 5 4.859 -11.205 7.996 1.00 4.30 H new ATOM 56 N ILE A 6 3.245 -7.349 7.332 1.00 2.22 N ATOM 57 CA ILE A 6 1.914 -7.027 7.830 1.00 31.03 C ATOM 58 C ILE A 6 0.911 -8.116 7.462 1.00 72.43 C ATOM 59 O ILE A 6 0.717 -8.424 6.286 1.00 64.34 O ATOM 60 CB ILE A 6 1.416 -5.678 7.279 1.00 43.52 C ATOM 61 CG1 ILE A 6 1.744 -4.549 8.257 1.00 3.54 C ATOM 62 CG2 ILE A 6 -0.079 -5.736 7.008 1.00 23.34 C ATOM 63 CD1 ILE A 6 3.202 -4.500 8.658 1.00 4.32 C ATOM 0 H ILE A 6 3.285 -7.545 6.332 1.00 2.22 H new ATOM 0 HA ILE A 6 1.992 -6.959 8.915 1.00 31.03 H new ATOM 0 HB ILE A 6 1.928 -5.476 6.338 1.00 43.52 H new ATOM 0 HG12 ILE A 6 1.468 -3.596 7.805 1.00 3.54 H new ATOM 0 HG13 ILE A 6 1.133 -4.666 9.152 1.00 3.54 H new ATOM 0 HG21 ILE A 6 -0.416 -4.775 6.619 1.00 23.34 H new ATOM 0 HG22 ILE A 6 -0.286 -6.517 6.276 1.00 23.34 H new ATOM 0 HG23 ILE A 6 -0.608 -5.958 7.935 1.00 23.34 H new ATOM 0 HD11 ILE A 6 3.361 -3.675 9.353 1.00 4.32 H new ATOM 0 HD12 ILE A 6 3.479 -5.438 9.139 1.00 4.32 H new ATOM 0 HD13 ILE A 6 3.818 -4.352 7.771 1.00 4.32 H new ATOM 74 N THR A 7 0.274 -8.693 8.475 1.00 32.25 N ATOM 75 CA THR A 7 -0.710 -9.747 8.258 1.00 1.53 C ATOM 76 C THR A 7 -2.125 -9.181 8.230 1.00 55.10 C ATOM 77 O THR A 7 -2.453 -8.266 8.985 1.00 15.42 O ATOM 78 CB THR A 7 -0.625 -10.829 9.351 1.00 54.13 C ATOM 79 OG1 THR A 7 -0.445 -10.218 10.633 1.00 54.40 O ATOM 80 CG2 THR A 7 0.525 -11.787 9.074 1.00 63.50 C ATOM 0 H THR A 7 0.421 -8.449 9.454 1.00 32.25 H new ATOM 0 HA THR A 7 -0.482 -10.197 7.292 1.00 1.53 H new ATOM 0 HB THR A 7 -1.558 -11.393 9.347 1.00 54.13 H new ATOM 0 HG1 THR A 7 -0.394 -10.913 11.322 1.00 54.40 H new ATOM 0 HG21 THR A 7 0.566 -12.543 9.859 1.00 63.50 H new ATOM 0 HG22 THR A 7 0.370 -12.272 8.110 1.00 63.50 H new ATOM 0 HG23 THR A 7 1.463 -11.233 9.054 1.00 63.50 H new ATOM 88 N ALA A 8 -2.961 -9.730 7.355 1.00 71.12 N ATOM 89 CA ALA A 8 -4.341 -9.282 7.232 1.00 72.34 C ATOM 90 C ALA A 8 -5.259 -10.432 6.830 1.00 33.13 C ATOM 91 O ALA A 8 -4.794 -11.493 6.416 1.00 3.25 O ATOM 92 CB ALA A 8 -4.439 -8.149 6.220 1.00 63.24 C ATOM 0 H ALA A 8 -2.705 -10.487 6.721 1.00 71.12 H new ATOM 0 HA ALA A 8 -4.666 -8.916 8.206 1.00 72.34 H new ATOM 0 HB1 ALA A 8 -5.476 -7.823 6.138 1.00 63.24 H new ATOM 0 HB2 ALA A 8 -3.821 -7.313 6.549 1.00 63.24 H new ATOM 0 HB3 ALA A 8 -4.090 -8.498 5.248 1.00 63.24 H new ATOM 98 N ARG A 9 -6.563 -10.213 6.956 1.00 42.41 N ATOM 99 CA ARG A 9 -7.546 -11.233 6.609 1.00 32.30 C ATOM 100 C ARG A 9 -8.512 -10.717 5.548 1.00 24.23 C ATOM 101 O ARG A 9 -8.808 -9.523 5.491 1.00 4.03 O ATOM 102 CB ARG A 9 -8.323 -11.668 7.853 1.00 21.42 C ATOM 103 CG ARG A 9 -7.826 -12.972 8.456 1.00 71.41 C ATOM 104 CD ARG A 9 -6.926 -12.724 9.656 1.00 0.10 C ATOM 105 NE ARG A 9 -6.812 -13.905 10.508 1.00 22.42 N ATOM 106 CZ ARG A 9 -7.808 -14.372 11.252 1.00 2.34 C ATOM 107 NH1 ARG A 9 -8.986 -13.764 11.248 1.00 21.54 N ATOM 108 NH2 ARG A 9 -7.627 -15.452 12.002 1.00 41.12 N ATOM 0 H ARG A 9 -6.964 -9.339 7.296 1.00 42.41 H new ATOM 0 HA ARG A 9 -7.013 -12.093 6.204 1.00 32.30 H new ATOM 0 HB2 ARG A 9 -8.258 -10.882 8.605 1.00 21.42 H new ATOM 0 HB3 ARG A 9 -9.376 -11.775 7.594 1.00 21.42 H new ATOM 0 HG2 ARG A 9 -8.677 -13.582 8.758 1.00 71.41 H new ATOM 0 HG3 ARG A 9 -7.280 -13.538 7.701 1.00 71.41 H new ATOM 0 HD2 ARG A 9 -5.935 -12.429 9.311 1.00 0.10 H new ATOM 0 HD3 ARG A 9 -7.321 -11.893 10.240 1.00 0.10 H new ATOM 0 HE ARG A 9 -5.919 -14.398 10.533 1.00 22.42 H new ATOM 0 HH11 ARG A 9 -9.130 -12.935 10.672 1.00 21.54 H new ATOM 0 HH12 ARG A 9 -9.749 -14.126 11.821 1.00 21.54 H new ATOM 0 HH21 ARG A 9 -6.723 -15.924 12.007 1.00 41.12 H new ATOM 0 HH22 ARG A 9 -8.392 -15.810 12.573 1.00 41.12 H new ATOM 119 N ILE A 10 -9.001 -11.624 4.708 1.00 44.23 N ATOM 120 CA ILE A 10 -9.934 -11.261 3.649 1.00 23.22 C ATOM 121 C ILE A 10 -11.143 -10.519 4.211 1.00 4.43 C ATOM 122 O ILE A 10 -11.879 -11.052 5.041 1.00 43.13 O ATOM 123 CB ILE A 10 -10.420 -12.501 2.877 1.00 0.04 C ATOM 124 CG1 ILE A 10 -9.238 -13.213 2.215 1.00 32.33 C ATOM 125 CG2 ILE A 10 -11.457 -12.105 1.836 1.00 53.42 C ATOM 126 CD1 ILE A 10 -9.487 -14.682 1.953 1.00 25.10 C ATOM 0 H ILE A 10 -8.766 -12.616 4.741 1.00 44.23 H new ATOM 0 HA ILE A 10 -9.395 -10.606 2.965 1.00 23.22 H new ATOM 0 HB ILE A 10 -10.886 -13.189 3.582 1.00 0.04 H new ATOM 0 HG12 ILE A 10 -9.008 -12.718 1.272 1.00 32.33 H new ATOM 0 HG13 ILE A 10 -8.359 -13.110 2.852 1.00 32.33 H new ATOM 0 HG21 ILE A 10 -11.791 -12.993 1.299 1.00 53.42 H new ATOM 0 HG22 ILE A 10 -12.309 -11.638 2.330 1.00 53.42 H new ATOM 0 HG23 ILE A 10 -11.015 -11.400 1.132 1.00 53.42 H new ATOM 0 HD11 ILE A 10 -8.608 -15.122 1.483 1.00 25.10 H new ATOM 0 HD12 ILE A 10 -9.687 -15.191 2.896 1.00 25.10 H new ATOM 0 HD13 ILE A 10 -10.346 -14.793 1.291 1.00 25.10 H new ATOM 137 N GLY A 11 -11.341 -9.288 3.752 1.00 12.13 N ATOM 138 CA GLY A 11 -12.464 -8.495 4.219 1.00 15.23 C ATOM 139 C GLY A 11 -12.133 -7.704 5.470 1.00 72.21 C ATOM 140 O GLY A 11 -13.013 -7.095 6.076 1.00 25.03 O ATOM 0 H GLY A 11 -10.745 -8.825 3.066 1.00 12.13 H new ATOM 0 HA2 GLY A 11 -12.774 -7.809 3.430 1.00 15.23 H new ATOM 0 HA3 GLY A 11 -13.310 -9.152 4.421 1.00 15.23 H new ATOM 144 N GLU A 12 -10.861 -7.714 5.857 1.00 43.03 N ATOM 145 CA GLU A 12 -10.418 -6.993 7.045 1.00 42.25 C ATOM 146 C GLU A 12 -9.718 -5.693 6.663 1.00 33.21 C ATOM 147 O GLU A 12 -8.953 -5.631 5.701 1.00 35.22 O ATOM 148 CB GLU A 12 -9.478 -7.867 7.877 1.00 13.41 C ATOM 149 CG GLU A 12 -10.133 -9.130 8.411 1.00 42.44 C ATOM 150 CD GLU A 12 -11.541 -8.887 8.916 1.00 3.20 C ATOM 151 OE1 GLU A 12 -11.710 -8.042 9.820 1.00 24.51 O ATOM 152 OE2 GLU A 12 -12.475 -9.544 8.409 1.00 51.25 O ATOM 0 H GLU A 12 -10.120 -8.213 5.365 1.00 43.03 H new ATOM 0 HA GLU A 12 -11.298 -6.749 7.640 1.00 42.25 H new ATOM 0 HB2 GLU A 12 -8.618 -8.144 7.267 1.00 13.41 H new ATOM 0 HB3 GLU A 12 -9.099 -7.282 8.715 1.00 13.41 H new ATOM 0 HG2 GLU A 12 -10.158 -9.883 7.623 1.00 42.44 H new ATOM 0 HG3 GLU A 12 -9.526 -9.536 9.220 1.00 42.44 H new ATOM 157 N PRO A 13 -9.985 -4.629 7.435 1.00 11.54 N ATOM 158 CA PRO A 13 -9.391 -3.310 7.197 1.00 4.54 C ATOM 159 C PRO A 13 -7.898 -3.283 7.508 1.00 64.44 C ATOM 160 O PRO A 13 -7.437 -3.922 8.455 1.00 15.01 O ATOM 161 CB PRO A 13 -10.154 -2.399 8.162 1.00 1.41 C ATOM 162 CG PRO A 13 -10.618 -3.304 9.251 1.00 21.13 C ATOM 163 CD PRO A 13 -10.887 -4.632 8.599 1.00 11.23 C ATOM 0 HA PRO A 13 -9.470 -3.009 6.152 1.00 4.54 H new ATOM 0 HB2 PRO A 13 -9.512 -1.608 8.551 1.00 1.41 H new ATOM 0 HB3 PRO A 13 -10.994 -1.913 7.666 1.00 1.41 H new ATOM 0 HG2 PRO A 13 -9.861 -3.398 10.030 1.00 21.13 H new ATOM 0 HG3 PRO A 13 -11.518 -2.913 9.726 1.00 21.13 H new ATOM 0 HD2 PRO A 13 -10.671 -5.461 9.272 1.00 11.23 H new ATOM 0 HD3 PRO A 13 -11.930 -4.728 8.299 1.00 11.23 H new ATOM 168 N LEU A 14 -7.145 -2.540 6.703 1.00 32.54 N ATOM 169 CA LEU A 14 -5.703 -2.429 6.892 1.00 52.30 C ATOM 170 C LEU A 14 -5.212 -1.033 6.522 1.00 54.35 C ATOM 171 O LEU A 14 -5.708 -0.418 5.579 1.00 65.43 O ATOM 172 CB LEU A 14 -4.976 -3.477 6.048 1.00 43.54 C ATOM 173 CG LEU A 14 -3.451 -3.372 6.014 1.00 13.14 C ATOM 174 CD1 LEU A 14 -2.867 -3.648 7.390 1.00 34.32 C ATOM 175 CD2 LEU A 14 -2.873 -4.333 4.986 1.00 41.31 C ATOM 0 H LEU A 14 -7.509 -2.006 5.914 1.00 32.54 H new ATOM 0 HA LEU A 14 -5.485 -2.604 7.945 1.00 52.30 H new ATOM 0 HB2 LEU A 14 -5.244 -4.465 6.422 1.00 43.54 H new ATOM 0 HB3 LEU A 14 -5.347 -3.412 5.025 1.00 43.54 H new ATOM 0 HG LEU A 14 -3.182 -2.356 5.724 1.00 13.14 H new ATOM 0 HD11 LEU A 14 -1.781 -3.569 7.347 1.00 34.32 H new ATOM 0 HD12 LEU A 14 -3.256 -2.921 8.103 1.00 34.32 H new ATOM 0 HD13 LEU A 14 -3.145 -4.653 7.709 1.00 34.32 H new ATOM 0 HD21 LEU A 14 -1.787 -4.245 4.976 1.00 41.31 H new ATOM 0 HD22 LEU A 14 -3.151 -5.354 5.246 1.00 41.31 H new ATOM 0 HD23 LEU A 14 -3.266 -4.090 3.999 1.00 41.31 H new ATOM 186 N VAL A 15 -4.230 -0.538 7.270 1.00 51.20 N ATOM 187 CA VAL A 15 -3.668 0.783 7.019 1.00 11.25 C ATOM 188 C VAL A 15 -2.161 0.708 6.808 1.00 55.51 C ATOM 189 O VAL A 15 -1.481 -0.139 7.389 1.00 22.03 O ATOM 190 CB VAL A 15 -3.965 1.749 8.182 1.00 32.22 C ATOM 191 CG1 VAL A 15 -3.490 3.154 7.845 1.00 50.54 C ATOM 192 CG2 VAL A 15 -5.450 1.745 8.511 1.00 71.44 C ATOM 0 H VAL A 15 -3.807 -1.033 8.055 1.00 51.20 H new ATOM 0 HA VAL A 15 -4.140 1.161 6.112 1.00 11.25 H new ATOM 0 HB VAL A 15 -3.419 1.408 9.062 1.00 32.22 H new ATOM 0 HG11 VAL A 15 -3.709 3.822 8.678 1.00 50.54 H new ATOM 0 HG12 VAL A 15 -2.415 3.141 7.663 1.00 50.54 H new ATOM 0 HG13 VAL A 15 -4.005 3.508 6.952 1.00 50.54 H new ATOM 0 HG21 VAL A 15 -5.642 2.433 9.335 1.00 71.44 H new ATOM 0 HG22 VAL A 15 -6.018 2.060 7.635 1.00 71.44 H new ATOM 0 HG23 VAL A 15 -5.756 0.739 8.799 1.00 71.44 H new ATOM 202 N LEU A 16 -1.641 1.600 5.972 1.00 52.53 N ATOM 203 CA LEU A 16 -0.212 1.637 5.682 1.00 10.43 C ATOM 204 C LEU A 16 0.334 3.055 5.806 1.00 61.53 C ATOM 205 O LEU A 16 -0.372 4.029 5.537 1.00 24.12 O ATOM 206 CB LEU A 16 0.059 1.094 4.278 1.00 2.31 C ATOM 207 CG LEU A 16 -0.129 -0.412 4.091 1.00 13.22 C ATOM 208 CD1 LEU A 16 0.174 -0.815 2.657 1.00 12.24 C ATOM 209 CD2 LEU A 16 0.753 -1.184 5.064 1.00 64.24 C ATOM 0 H LEU A 16 -2.188 2.308 5.483 1.00 52.53 H new ATOM 0 HA LEU A 16 0.297 1.008 6.412 1.00 10.43 H new ATOM 0 HB2 LEU A 16 -0.597 1.611 3.578 1.00 2.31 H new ATOM 0 HB3 LEU A 16 1.083 1.349 4.003 1.00 2.31 H new ATOM 0 HG LEU A 16 -1.170 -0.658 4.302 1.00 13.22 H new ATOM 0 HD11 LEU A 16 0.035 -1.890 2.544 1.00 12.24 H new ATOM 0 HD12 LEU A 16 -0.500 -0.289 1.981 1.00 12.24 H new ATOM 0 HD13 LEU A 16 1.205 -0.556 2.416 1.00 12.24 H new ATOM 0 HD21 LEU A 16 0.607 -2.254 4.917 1.00 64.24 H new ATOM 0 HD22 LEU A 16 1.798 -0.933 4.885 1.00 64.24 H new ATOM 0 HD23 LEU A 16 0.486 -0.918 6.087 1.00 64.24 H new ATOM 220 N LYS A 17 1.594 3.167 6.212 1.00 72.10 N ATOM 221 CA LYS A 17 2.236 4.467 6.367 1.00 60.04 C ATOM 222 C LYS A 17 3.331 4.661 5.324 1.00 52.30 C ATOM 223 O LYS A 17 3.935 3.695 4.856 1.00 32.31 O ATOM 224 CB LYS A 17 2.825 4.603 7.773 1.00 3.31 C ATOM 225 CG LYS A 17 2.567 5.956 8.413 1.00 0.23 C ATOM 226 CD LYS A 17 1.120 6.097 8.854 1.00 44.00 C ATOM 227 CE LYS A 17 0.803 5.185 10.029 1.00 62.04 C ATOM 228 NZ LYS A 17 -0.135 5.826 10.991 1.00 10.41 N ATOM 0 H LYS A 17 2.191 2.372 6.440 1.00 72.10 H new ATOM 0 HA LYS A 17 1.480 5.238 6.221 1.00 60.04 H new ATOM 0 HB2 LYS A 17 2.407 3.824 8.410 1.00 3.31 H new ATOM 0 HB3 LYS A 17 3.900 4.432 7.725 1.00 3.31 H new ATOM 0 HG2 LYS A 17 3.225 6.084 9.273 1.00 0.23 H new ATOM 0 HG3 LYS A 17 2.811 6.747 7.704 1.00 0.23 H new ATOM 0 HD2 LYS A 17 0.923 7.132 9.132 1.00 44.00 H new ATOM 0 HD3 LYS A 17 0.460 5.860 8.020 1.00 44.00 H new ATOM 0 HE2 LYS A 17 0.367 4.256 9.661 1.00 62.04 H new ATOM 0 HE3 LYS A 17 1.727 4.921 10.544 1.00 62.04 H new ATOM 0 HZ1 LYS A 17 -0.326 5.173 11.777 1.00 10.41 H new ATOM 0 HZ2 LYS A 17 0.291 6.699 11.362 1.00 10.41 H new ATOM 0 HZ3 LYS A 17 -1.026 6.055 10.507 1.00 10.41 H new ATOM 238 N CYS A 18 3.585 5.915 4.965 1.00 75.12 N ATOM 239 CA CYS A 18 4.609 6.237 3.978 1.00 64.31 C ATOM 240 C CYS A 18 5.834 6.852 4.646 1.00 34.20 C ATOM 241 O CYS A 18 5.837 8.035 4.994 1.00 10.22 O ATOM 242 CB CYS A 18 4.048 7.198 2.927 1.00 13.51 C ATOM 243 SG CYS A 18 5.154 7.468 1.505 1.00 41.45 S ATOM 0 H CYS A 18 3.095 6.726 5.343 1.00 75.12 H new ATOM 0 HA CYS A 18 4.912 5.311 3.489 1.00 64.31 H new ATOM 0 HB2 CYS A 18 3.096 6.809 2.565 1.00 13.51 H new ATOM 0 HB3 CYS A 18 3.841 8.158 3.401 1.00 13.51 H new ATOM 247 N LYS A 19 6.874 6.045 4.824 1.00 23.24 N ATOM 248 CA LYS A 19 8.106 6.509 5.450 1.00 73.12 C ATOM 249 C LYS A 19 8.708 7.673 4.667 1.00 4.51 C ATOM 250 O LYS A 19 9.025 7.540 3.485 1.00 43.00 O ATOM 251 CB LYS A 19 9.118 5.365 5.542 1.00 2.33 C ATOM 252 CG LYS A 19 9.315 4.841 6.954 1.00 54.52 C ATOM 253 CD LYS A 19 8.191 3.907 7.366 1.00 63.42 C ATOM 254 CE LYS A 19 7.896 4.010 8.854 1.00 15.05 C ATOM 255 NZ LYS A 19 6.563 3.442 9.197 1.00 12.13 N ATOM 0 H LYS A 19 6.888 5.065 4.543 1.00 23.24 H new ATOM 0 HA LYS A 19 7.866 6.855 6.455 1.00 73.12 H new ATOM 0 HB2 LYS A 19 8.788 4.547 4.902 1.00 2.33 H new ATOM 0 HB3 LYS A 19 10.077 5.707 5.153 1.00 2.33 H new ATOM 0 HG2 LYS A 19 10.268 4.315 7.018 1.00 54.52 H new ATOM 0 HG3 LYS A 19 9.366 5.679 7.650 1.00 54.52 H new ATOM 0 HD2 LYS A 19 7.292 4.146 6.799 1.00 63.42 H new ATOM 0 HD3 LYS A 19 8.461 2.880 7.118 1.00 63.42 H new ATOM 0 HE2 LYS A 19 8.669 3.485 9.415 1.00 15.05 H new ATOM 0 HE3 LYS A 19 7.935 5.055 9.160 1.00 15.05 H new ATOM 0 HZ1 LYS A 19 6.400 3.532 10.220 1.00 12.13 H new ATOM 0 HZ2 LYS A 19 5.822 3.959 8.682 1.00 12.13 H new ATOM 0 HZ3 LYS A 19 6.534 2.438 8.929 1.00 12.13 H new ATOM 265 N GLY A 20 8.866 8.811 5.334 1.00 23.43 N ATOM 266 CA GLY A 20 9.430 9.979 4.687 1.00 75.03 C ATOM 267 C GLY A 20 8.531 11.194 4.793 1.00 70.24 C ATOM 268 O GLY A 20 9.006 12.312 4.990 1.00 61.25 O ATOM 0 H GLY A 20 8.613 8.945 6.313 1.00 23.43 H new ATOM 0 HA2 GLY A 20 10.397 10.207 5.135 1.00 75.03 H new ATOM 0 HA3 GLY A 20 9.611 9.756 3.636 1.00 75.03 H new ATOM 272 N ALA A 21 7.226 10.976 4.659 1.00 72.34 N ATOM 273 CA ALA A 21 6.258 12.061 4.742 1.00 20.12 C ATOM 274 C ALA A 21 5.753 12.240 6.170 1.00 1.42 C ATOM 275 O ALA A 21 5.313 11.293 6.821 1.00 72.32 O ATOM 276 CB ALA A 21 5.093 11.802 3.797 1.00 61.13 C ATOM 0 H ALA A 21 6.816 10.057 4.492 1.00 72.34 H new ATOM 0 HA ALA A 21 6.757 12.983 4.443 1.00 20.12 H new ATOM 0 HB1 ALA A 21 4.377 12.621 3.869 1.00 61.13 H new ATOM 0 HB2 ALA A 21 5.463 11.733 2.774 1.00 61.13 H new ATOM 0 HB3 ALA A 21 4.604 10.867 4.070 1.00 61.13 H new ATOM 282 N PRO A 22 5.820 13.483 6.671 1.00 45.24 N ATOM 283 CA PRO A 22 5.374 13.814 8.027 1.00 42.41 C ATOM 284 C PRO A 22 3.859 13.729 8.177 1.00 44.04 C ATOM 285 O PRO A 22 3.172 13.163 7.327 1.00 72.53 O ATOM 286 CB PRO A 22 5.850 15.256 8.213 1.00 33.13 C ATOM 287 CG PRO A 22 5.934 15.810 6.833 1.00 52.31 C ATOM 288 CD PRO A 22 6.334 14.659 5.951 1.00 71.34 C ATOM 0 HA PRO A 22 5.771 13.120 8.768 1.00 42.41 H new ATOM 0 HB2 PRO A 22 5.153 15.827 8.827 1.00 33.13 H new ATOM 0 HB3 PRO A 22 6.818 15.292 8.713 1.00 33.13 H new ATOM 0 HG2 PRO A 22 4.977 16.227 6.521 1.00 52.31 H new ATOM 0 HG3 PRO A 22 6.666 16.616 6.779 1.00 52.31 H new ATOM 0 HD2 PRO A 22 5.896 14.744 4.956 1.00 71.34 H new ATOM 0 HD3 PRO A 22 7.415 14.609 5.821 1.00 71.34 H new ATOM 293 N LYS A 23 3.344 14.295 9.263 1.00 30.53 N ATOM 294 CA LYS A 23 1.909 14.285 9.524 1.00 60.51 C ATOM 295 C LYS A 23 1.130 14.761 8.302 1.00 53.24 C ATOM 296 O LYS A 23 0.156 14.132 7.890 1.00 31.41 O ATOM 297 CB LYS A 23 1.583 15.173 10.727 1.00 12.13 C ATOM 298 CG LYS A 23 2.316 16.504 10.718 1.00 22.22 C ATOM 299 CD LYS A 23 3.131 16.700 11.985 1.00 62.21 C ATOM 300 CE LYS A 23 3.868 18.031 11.973 1.00 4.13 C ATOM 301 NZ LYS A 23 3.225 19.029 12.873 1.00 73.40 N ATOM 0 H LYS A 23 3.899 14.767 9.977 1.00 30.53 H new ATOM 0 HA LYS A 23 1.612 13.260 9.745 1.00 60.51 H new ATOM 0 HB2 LYS A 23 0.509 15.359 10.750 1.00 12.13 H new ATOM 0 HB3 LYS A 23 1.833 14.636 11.642 1.00 12.13 H new ATOM 0 HG2 LYS A 23 2.974 16.552 9.850 1.00 22.22 H new ATOM 0 HG3 LYS A 23 1.596 17.316 10.618 1.00 22.22 H new ATOM 0 HD2 LYS A 23 2.473 16.655 12.853 1.00 62.21 H new ATOM 0 HD3 LYS A 23 3.849 15.886 12.087 1.00 62.21 H new ATOM 0 HE2 LYS A 23 4.902 17.877 12.282 1.00 4.13 H new ATOM 0 HE3 LYS A 23 3.894 18.423 10.956 1.00 4.13 H new ATOM 0 HZ1 LYS A 23 3.756 19.922 12.837 1.00 73.40 H new ATOM 0 HZ2 LYS A 23 2.246 19.196 12.563 1.00 73.40 H new ATOM 0 HZ3 LYS A 23 3.223 18.667 13.848 1.00 73.40 H new ATOM 311 N LYS A 24 1.568 15.876 7.724 1.00 41.20 N ATOM 312 CA LYS A 24 0.913 16.436 6.547 1.00 13.43 C ATOM 313 C LYS A 24 1.765 16.225 5.299 1.00 14.14 C ATOM 314 O LYS A 24 2.992 16.139 5.364 1.00 3.44 O ATOM 315 CB LYS A 24 0.645 17.929 6.748 1.00 45.20 C ATOM 316 CG LYS A 24 1.810 18.816 6.346 1.00 11.41 C ATOM 317 CD LYS A 24 3.025 18.575 7.228 1.00 31.11 C ATOM 318 CE LYS A 24 3.856 19.838 7.389 1.00 55.11 C ATOM 319 NZ LYS A 24 5.230 19.538 7.879 1.00 30.22 N ATOM 0 H LYS A 24 2.374 16.409 8.052 1.00 41.20 H new ATOM 0 HA LYS A 24 -0.036 15.919 6.410 1.00 13.43 H new ATOM 0 HB2 LYS A 24 -0.234 18.213 6.169 1.00 45.20 H new ATOM 0 HB3 LYS A 24 0.407 18.109 7.796 1.00 45.20 H new ATOM 0 HG2 LYS A 24 2.071 18.625 5.305 1.00 11.41 H new ATOM 0 HG3 LYS A 24 1.512 19.862 6.413 1.00 11.41 H new ATOM 0 HD2 LYS A 24 2.701 18.224 8.208 1.00 31.11 H new ATOM 0 HD3 LYS A 24 3.640 17.786 6.794 1.00 31.11 H new ATOM 0 HE2 LYS A 24 3.917 20.357 6.433 1.00 55.11 H new ATOM 0 HE3 LYS A 24 3.360 20.513 8.087 1.00 55.11 H new ATOM 0 HZ1 LYS A 24 5.765 20.424 7.976 1.00 30.22 H new ATOM 0 HZ2 LYS A 24 5.173 19.065 8.803 1.00 30.22 H new ATOM 0 HZ3 LYS A 24 5.712 18.915 7.200 1.00 30.22 H new ATOM 366 N ARG A 28 5.009 16.738 -3.656 1.00 21.50 N ATOM 367 CA ARG A 28 4.359 15.708 -4.458 1.00 63.03 C ATOM 368 C ARG A 28 4.996 14.344 -4.208 1.00 63.24 C ATOM 369 O ARG A 28 6.220 14.217 -4.163 1.00 52.12 O ATOM 370 CB ARG A 28 4.445 16.059 -5.945 1.00 0.12 C ATOM 371 CG ARG A 28 5.869 16.120 -6.474 1.00 12.55 C ATOM 372 CD ARG A 28 5.938 16.857 -7.802 1.00 43.32 C ATOM 373 NE ARG A 28 7.091 16.445 -8.597 1.00 52.34 N ATOM 374 CZ ARG A 28 7.227 16.715 -9.891 1.00 63.14 C ATOM 375 NH1 ARG A 28 6.285 17.395 -10.531 1.00 54.23 N ATOM 376 NH2 ARG A 28 8.306 16.306 -10.547 1.00 35.43 N ATOM 0 HA ARG A 28 3.311 15.660 -4.164 1.00 63.03 H new ATOM 0 HB2 ARG A 28 3.885 15.320 -6.517 1.00 0.12 H new ATOM 0 HB3 ARG A 28 3.963 17.022 -6.111 1.00 0.12 H new ATOM 0 HG2 ARG A 28 6.508 16.619 -5.746 1.00 12.55 H new ATOM 0 HG3 ARG A 28 6.256 15.109 -6.597 1.00 12.55 H new ATOM 0 HD2 ARG A 28 5.024 16.673 -8.367 1.00 43.32 H new ATOM 0 HD3 ARG A 28 5.989 17.930 -7.619 1.00 43.32 H new ATOM 0 HE ARG A 28 7.833 15.921 -8.134 1.00 52.34 H new ATOM 0 HH11 ARG A 28 5.455 17.711 -10.030 1.00 54.23 H new ATOM 0 HH12 ARG A 28 6.391 17.602 -11.524 1.00 54.23 H new ATOM 0 HH21 ARG A 28 9.033 15.783 -10.058 1.00 35.43 H new ATOM 0 HH22 ARG A 28 8.408 16.514 -11.540 1.00 35.43 H new ATOM 387 N LEU A 29 4.158 13.326 -4.047 1.00 30.42 N ATOM 388 CA LEU A 29 4.637 11.971 -3.801 1.00 45.42 C ATOM 389 C LEU A 29 3.875 10.961 -4.653 1.00 61.43 C ATOM 390 O LEU A 29 2.764 11.233 -5.108 1.00 43.10 O ATOM 391 CB LEU A 29 4.492 11.618 -2.320 1.00 73.31 C ATOM 392 CG LEU A 29 3.098 11.800 -1.719 1.00 14.34 C ATOM 393 CD1 LEU A 29 2.214 10.609 -2.051 1.00 64.31 C ATOM 394 CD2 LEU A 29 3.189 11.997 -0.212 1.00 60.22 C ATOM 0 H LEU A 29 3.142 13.414 -4.082 1.00 30.42 H new ATOM 0 HA LEU A 29 5.691 11.929 -4.076 1.00 45.42 H new ATOM 0 HB2 LEU A 29 4.791 10.579 -2.184 1.00 73.31 H new ATOM 0 HB3 LEU A 29 5.193 12.229 -1.751 1.00 73.31 H new ATOM 0 HG LEU A 29 2.648 12.692 -2.155 1.00 14.34 H new ATOM 0 HD11 LEU A 29 1.226 10.756 -1.615 1.00 64.31 H new ATOM 0 HD12 LEU A 29 2.123 10.514 -3.133 1.00 64.31 H new ATOM 0 HD13 LEU A 29 2.659 9.701 -1.643 1.00 64.31 H new ATOM 0 HD21 LEU A 29 2.188 12.125 0.199 1.00 60.22 H new ATOM 0 HD22 LEU A 29 3.659 11.124 0.241 1.00 60.22 H new ATOM 0 HD23 LEU A 29 3.786 12.883 0.004 1.00 60.22 H new ATOM 405 N GLU A 30 4.478 9.795 -4.861 1.00 62.10 N ATOM 406 CA GLU A 30 3.854 8.744 -5.657 1.00 11.32 C ATOM 407 C GLU A 30 3.686 7.468 -4.837 1.00 32.13 C ATOM 408 O GLU A 30 4.492 7.174 -3.954 1.00 64.15 O ATOM 409 CB GLU A 30 4.691 8.455 -6.905 1.00 44.54 C ATOM 410 CG GLU A 30 3.888 7.858 -8.050 1.00 12.11 C ATOM 411 CD GLU A 30 4.465 8.206 -9.410 1.00 3.25 C ATOM 412 OE1 GLU A 30 5.550 8.824 -9.454 1.00 23.44 O ATOM 413 OE2 GLU A 30 3.831 7.860 -10.428 1.00 3.25 O ATOM 0 H GLU A 30 5.397 9.554 -4.490 1.00 62.10 H new ATOM 0 HA GLU A 30 2.867 9.092 -5.962 1.00 11.32 H new ATOM 0 HB2 GLU A 30 5.157 9.381 -7.243 1.00 44.54 H new ATOM 0 HB3 GLU A 30 5.497 7.770 -6.641 1.00 44.54 H new ATOM 0 HG2 GLU A 30 3.855 6.774 -7.940 1.00 12.11 H new ATOM 0 HG3 GLU A 30 2.860 8.215 -7.993 1.00 12.11 H new ATOM 418 N TRP A 31 2.633 6.716 -5.134 1.00 62.22 N ATOM 419 CA TRP A 31 2.357 5.472 -4.424 1.00 63.35 C ATOM 420 C TRP A 31 2.063 4.340 -5.404 1.00 60.13 C ATOM 421 O TRP A 31 1.227 4.480 -6.297 1.00 53.44 O ATOM 422 CB TRP A 31 1.177 5.656 -3.470 1.00 31.13 C ATOM 423 CG TRP A 31 1.291 4.837 -2.220 1.00 23.11 C ATOM 424 CD1 TRP A 31 1.719 3.544 -2.124 1.00 24.13 C ATOM 425 CD2 TRP A 31 0.972 5.256 -0.888 1.00 53.34 C ATOM 426 NE1 TRP A 31 1.685 3.134 -0.812 1.00 22.13 N ATOM 427 CE2 TRP A 31 1.231 4.166 -0.035 1.00 1.40 C ATOM 428 CE3 TRP A 31 0.495 6.448 -0.334 1.00 52.12 C ATOM 429 CZ2 TRP A 31 1.026 4.234 1.340 1.00 0.32 C ATOM 430 CZ3 TRP A 31 0.293 6.513 1.032 1.00 61.15 C ATOM 431 CH2 TRP A 31 0.559 5.412 1.856 1.00 1.04 C ATOM 0 H TRP A 31 1.956 6.945 -5.862 1.00 62.22 H new ATOM 0 HA TRP A 31 3.243 5.208 -3.847 1.00 63.35 H new ATOM 0 HB2 TRP A 31 1.098 6.709 -3.200 1.00 31.13 H new ATOM 0 HB3 TRP A 31 0.255 5.390 -3.988 1.00 31.13 H new ATOM 0 HD1 TRP A 31 2.037 2.933 -2.956 1.00 24.13 H new ATOM 0 HE1 TRP A 31 1.954 2.211 -0.473 1.00 22.13 H new ATOM 0 HE3 TRP A 31 0.288 7.302 -0.962 1.00 52.12 H new ATOM 0 HZ2 TRP A 31 1.229 3.386 1.978 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 -0.076 7.428 1.471 1.00 61.15 H new ATOM 0 HH2 TRP A 31 0.392 5.495 2.920 1.00 1.04 H new ATOM 441 N LYS A 32 2.755 3.219 -5.231 1.00 30.24 N ATOM 442 CA LYS A 32 2.566 2.062 -6.098 1.00 14.32 C ATOM 443 C LYS A 32 2.542 0.771 -5.285 1.00 73.24 C ATOM 444 O LYS A 32 3.363 0.576 -4.387 1.00 24.21 O ATOM 445 CB LYS A 32 3.681 1.997 -7.145 1.00 74.51 C ATOM 446 CG LYS A 32 3.378 2.788 -8.406 1.00 33.14 C ATOM 447 CD LYS A 32 4.531 2.726 -9.394 1.00 61.13 C ATOM 448 CE LYS A 32 5.631 3.711 -9.031 1.00 31.32 C ATOM 449 NZ LYS A 32 5.437 5.029 -9.697 1.00 34.20 N ATOM 0 H LYS A 32 3.452 3.087 -4.498 1.00 30.24 H new ATOM 0 HA LYS A 32 1.606 2.170 -6.603 1.00 14.32 H new ATOM 0 HB2 LYS A 32 4.604 2.372 -6.704 1.00 74.51 H new ATOM 0 HB3 LYS A 32 3.856 0.955 -7.413 1.00 74.51 H new ATOM 0 HG2 LYS A 32 2.475 2.396 -8.874 1.00 33.14 H new ATOM 0 HG3 LYS A 32 3.177 3.827 -8.145 1.00 33.14 H new ATOM 0 HD2 LYS A 32 4.939 1.715 -9.415 1.00 61.13 H new ATOM 0 HD3 LYS A 32 4.164 2.943 -10.397 1.00 61.13 H new ATOM 0 HE2 LYS A 32 5.652 3.850 -7.950 1.00 31.32 H new ATOM 0 HE3 LYS A 32 6.598 3.298 -9.318 1.00 31.32 H new ATOM 0 HZ1 LYS A 32 6.147 5.703 -9.347 1.00 34.20 H new ATOM 0 HZ2 LYS A 32 5.543 4.917 -10.725 1.00 34.20 H new ATOM 0 HZ3 LYS A 32 4.484 5.388 -9.485 1.00 34.20 H new ATOM 459 N LEU A 33 1.598 -0.107 -5.607 1.00 72.40 N ATOM 460 CA LEU A 33 1.468 -1.380 -4.907 1.00 34.01 C ATOM 461 C LEU A 33 1.165 -2.511 -5.886 1.00 43.13 C ATOM 462 O LEU A 33 0.381 -2.343 -6.819 1.00 2.33 O ATOM 463 CB LEU A 33 0.364 -1.294 -3.852 1.00 43.22 C ATOM 464 CG LEU A 33 -0.688 -0.206 -4.067 1.00 34.01 C ATOM 465 CD1 LEU A 33 -2.053 -0.683 -3.600 1.00 10.02 C ATOM 466 CD2 LEU A 33 -0.288 1.072 -3.342 1.00 22.31 C ATOM 0 H LEU A 33 0.912 0.039 -6.348 1.00 72.40 H new ATOM 0 HA LEU A 33 2.416 -1.594 -4.415 1.00 34.01 H new ATOM 0 HB2 LEU A 33 -0.143 -2.258 -3.807 1.00 43.22 H new ATOM 0 HB3 LEU A 33 0.830 -1.133 -2.880 1.00 43.22 H new ATOM 0 HG LEU A 33 -0.749 0.009 -5.134 1.00 34.01 H new ATOM 0 HD11 LEU A 33 -2.789 0.105 -3.761 1.00 10.02 H new ATOM 0 HD12 LEU A 33 -2.341 -1.570 -4.165 1.00 10.02 H new ATOM 0 HD13 LEU A 33 -2.010 -0.927 -2.539 1.00 10.02 H new ATOM 0 HD21 LEU A 33 -1.048 1.836 -3.506 1.00 22.31 H new ATOM 0 HD22 LEU A 33 -0.199 0.872 -2.274 1.00 22.31 H new ATOM 0 HD23 LEU A 33 0.669 1.424 -3.727 1.00 22.31 H new ATOM 477 N ASN A 34 1.792 -3.661 -5.664 1.00 61.32 N ATOM 478 CA ASN A 34 1.589 -4.820 -6.526 1.00 45.32 C ATOM 479 C ASN A 34 0.853 -5.930 -5.782 1.00 31.25 C ATOM 480 O ASN A 34 1.267 -6.347 -4.699 1.00 1.11 O ATOM 481 CB ASN A 34 2.931 -5.342 -7.043 1.00 32.45 C ATOM 482 CG ASN A 34 2.837 -6.759 -7.571 1.00 23.13 C ATOM 483 OD1 ASN A 34 3.616 -7.631 -7.183 1.00 25.50 O ATOM 484 ND2 ASN A 34 1.881 -6.995 -8.461 1.00 63.03 N ATOM 0 H ASN A 34 2.444 -3.816 -4.895 1.00 61.32 H new ATOM 0 HA ASN A 34 0.979 -4.507 -7.373 1.00 45.32 H new ATOM 0 HB2 ASN A 34 3.292 -4.686 -7.835 1.00 32.45 H new ATOM 0 HB3 ASN A 34 3.666 -5.305 -6.239 1.00 32.45 H new ATOM 0 HD21 ASN A 34 1.769 -7.930 -8.853 1.00 63.03 H new ATOM 0 HD22 ASN A 34 1.259 -6.241 -8.753 1.00 63.03 H new ATOM 490 N THR A 35 -0.243 -6.404 -6.367 1.00 41.03 N ATOM 491 CA THR A 35 -1.036 -7.463 -5.759 1.00 3.14 C ATOM 492 C THR A 35 -1.491 -8.478 -6.803 1.00 53.43 C ATOM 493 O THR A 35 -1.178 -8.349 -7.986 1.00 52.02 O ATOM 494 CB THR A 35 -2.274 -6.896 -5.039 1.00 61.32 C ATOM 495 OG1 THR A 35 -3.271 -6.524 -5.998 1.00 71.13 O ATOM 496 CG2 THR A 35 -1.902 -5.689 -4.194 1.00 11.13 C ATOM 0 H THR A 35 -0.601 -6.070 -7.262 1.00 41.03 H new ATOM 0 HA THR A 35 -0.395 -7.958 -5.029 1.00 3.14 H new ATOM 0 HB THR A 35 -2.672 -7.670 -4.383 1.00 61.32 H new ATOM 0 HG1 THR A 35 -4.009 -7.168 -5.969 1.00 71.13 H new ATOM 0 HG21 THR A 35 -2.792 -5.306 -3.695 1.00 11.13 H new ATOM 0 HG22 THR A 35 -1.165 -5.982 -3.446 1.00 11.13 H new ATOM 0 HG23 THR A 35 -1.482 -4.913 -4.834 1.00 11.13 H new ATOM 504 N GLY A 36 -2.231 -9.489 -6.357 1.00 33.30 N ATOM 505 CA GLY A 36 -2.716 -10.511 -7.266 1.00 33.24 C ATOM 506 C GLY A 36 -1.606 -11.406 -7.778 1.00 42.21 C ATOM 507 O GLY A 36 -0.810 -11.927 -6.997 1.00 14.12 O ATOM 0 H GLY A 36 -2.503 -9.618 -5.382 1.00 33.30 H new ATOM 0 HA2 GLY A 36 -3.464 -11.120 -6.758 1.00 33.24 H new ATOM 0 HA3 GLY A 36 -3.213 -10.035 -8.111 1.00 33.24 H new ATOM 511 N ARG A 37 -1.555 -11.587 -9.094 1.00 13.41 N ATOM 512 CA ARG A 37 -0.534 -12.430 -9.709 1.00 41.34 C ATOM 513 C ARG A 37 0.424 -11.594 -10.553 1.00 4.04 C ATOM 514 O ARG A 37 1.626 -11.861 -10.595 1.00 60.23 O ATOM 515 CB ARG A 37 -1.187 -13.508 -10.576 1.00 31.30 C ATOM 516 CG ARG A 37 -0.435 -14.827 -10.575 1.00 61.15 C ATOM 517 CD ARG A 37 -0.444 -15.474 -9.199 1.00 64.44 C ATOM 518 NE ARG A 37 -0.448 -16.932 -9.278 1.00 51.25 N ATOM 519 CZ ARG A 37 -0.091 -17.724 -8.273 1.00 24.12 C ATOM 520 NH1 ARG A 37 0.295 -17.201 -7.119 1.00 20.24 N ATOM 521 NH2 ARG A 37 -0.122 -19.043 -8.423 1.00 73.30 N ATOM 0 H ARG A 37 -2.207 -11.163 -9.754 1.00 13.41 H new ATOM 0 HA ARG A 37 0.035 -12.910 -8.912 1.00 41.34 H new ATOM 0 HB2 ARG A 37 -2.204 -13.679 -10.224 1.00 31.30 H new ATOM 0 HB3 ARG A 37 -1.262 -13.143 -11.600 1.00 31.30 H new ATOM 0 HG2 ARG A 37 -0.887 -15.505 -11.300 1.00 61.15 H new ATOM 0 HG3 ARG A 37 0.594 -14.660 -10.893 1.00 61.15 H new ATOM 0 HD2 ARG A 37 0.430 -15.144 -8.638 1.00 64.44 H new ATOM 0 HD3 ARG A 37 -1.322 -15.139 -8.647 1.00 64.44 H new ATOM 0 HE ARG A 37 -0.741 -17.366 -10.153 1.00 51.25 H new ATOM 0 HH11 ARG A 37 0.319 -16.188 -7.001 1.00 20.24 H new ATOM 0 HH12 ARG A 37 0.569 -17.811 -6.349 1.00 20.24 H new ATOM 0 HH21 ARG A 37 -0.420 -19.449 -9.310 1.00 73.30 H new ATOM 0 HH22 ARG A 37 0.152 -19.651 -7.651 1.00 73.30 H new ATOM 532 N THR A 38 -0.116 -10.582 -11.223 1.00 52.11 N ATOM 533 CA THR A 38 0.691 -9.707 -12.067 1.00 1.32 C ATOM 534 C THR A 38 -0.165 -8.620 -12.707 1.00 11.21 C ATOM 535 O THR A 38 0.318 -7.522 -12.985 1.00 41.34 O ATOM 536 CB THR A 38 1.406 -10.502 -13.177 1.00 40.42 C ATOM 537 OG1 THR A 38 2.483 -9.729 -13.715 1.00 33.41 O ATOM 538 CG2 THR A 38 0.435 -10.873 -14.287 1.00 55.15 C ATOM 0 H THR A 38 -1.108 -10.347 -11.199 1.00 52.11 H new ATOM 0 HA THR A 38 1.438 -9.245 -11.422 1.00 1.32 H new ATOM 0 HB THR A 38 1.801 -11.420 -12.741 1.00 40.42 H new ATOM 0 HG1 THR A 38 2.934 -10.241 -14.419 1.00 33.41 H new ATOM 0 HG21 THR A 38 0.962 -11.433 -15.059 1.00 55.15 H new ATOM 0 HG22 THR A 38 -0.368 -11.486 -13.878 1.00 55.15 H new ATOM 0 HG23 THR A 38 0.014 -9.966 -14.721 1.00 55.15 H new ATOM 546 N GLU A 39 -1.435 -8.931 -12.936 1.00 63.41 N ATOM 547 CA GLU A 39 -2.357 -7.977 -13.544 1.00 13.31 C ATOM 548 C GLU A 39 -3.265 -7.350 -12.489 1.00 54.35 C ATOM 549 O GLU A 39 -4.428 -7.052 -12.754 1.00 72.33 O ATOM 550 CB GLU A 39 -3.204 -8.666 -14.617 1.00 31.14 C ATOM 551 CG GLU A 39 -2.404 -9.121 -15.826 1.00 10.05 C ATOM 552 CD GLU A 39 -2.483 -8.142 -16.980 1.00 13.21 C ATOM 553 OE1 GLU A 39 -2.678 -6.936 -16.722 1.00 12.01 O ATOM 554 OE2 GLU A 39 -2.351 -8.581 -18.142 1.00 1.24 O ATOM 0 H GLU A 39 -1.850 -9.835 -12.711 1.00 63.41 H new ATOM 0 HA GLU A 39 -1.768 -7.186 -14.008 1.00 13.31 H new ATOM 0 HB2 GLU A 39 -3.702 -9.529 -14.176 1.00 31.14 H new ATOM 0 HB3 GLU A 39 -3.986 -7.981 -14.946 1.00 31.14 H new ATOM 0 HG2 GLU A 39 -1.361 -9.254 -15.538 1.00 10.05 H new ATOM 0 HG3 GLU A 39 -2.770 -10.094 -16.154 1.00 10.05 H new ATOM 559 N ALA A 40 -2.721 -7.153 -11.293 1.00 22.24 N ATOM 560 CA ALA A 40 -3.479 -6.559 -10.198 1.00 25.51 C ATOM 561 C ALA A 40 -2.788 -5.310 -9.664 1.00 50.41 C ATOM 562 O ALA A 40 -3.335 -4.597 -8.824 1.00 72.53 O ATOM 563 CB ALA A 40 -3.677 -7.574 -9.082 1.00 22.04 C ATOM 0 H ALA A 40 -1.759 -7.396 -11.057 1.00 22.24 H new ATOM 0 HA ALA A 40 -4.455 -6.264 -10.583 1.00 25.51 H new ATOM 0 HB1 ALA A 40 -4.244 -7.117 -8.271 1.00 22.04 H new ATOM 0 HB2 ALA A 40 -4.223 -8.436 -9.466 1.00 22.04 H new ATOM 0 HB3 ALA A 40 -2.706 -7.898 -8.708 1.00 22.04 H new ATOM 569 N TRP A 41 -1.581 -5.052 -10.156 1.00 60.42 N ATOM 570 CA TRP A 41 -0.814 -3.888 -9.727 1.00 30.13 C ATOM 571 C TRP A 41 -1.572 -2.600 -10.019 1.00 75.43 C ATOM 572 O TRP A 41 -2.054 -2.388 -11.131 1.00 43.12 O ATOM 573 CB TRP A 41 0.548 -3.863 -10.425 1.00 62.53 C ATOM 574 CG TRP A 41 1.250 -2.545 -10.309 1.00 63.41 C ATOM 575 CD1 TRP A 41 1.958 -2.085 -9.236 1.00 52.23 C ATOM 576 CD2 TRP A 41 1.311 -1.516 -11.303 1.00 31.51 C ATOM 577 NE1 TRP A 41 2.454 -0.831 -9.504 1.00 4.34 N ATOM 578 CE2 TRP A 41 2.072 -0.461 -10.766 1.00 45.20 C ATOM 579 CE3 TRP A 41 0.797 -1.385 -12.597 1.00 74.41 C ATOM 580 CZ2 TRP A 41 2.329 0.708 -11.476 1.00 33.31 C ATOM 581 CZ3 TRP A 41 1.053 -0.224 -13.300 1.00 43.24 C ATOM 582 CH2 TRP A 41 1.815 0.810 -12.740 1.00 41.11 C ATOM 0 H TRP A 41 -1.113 -5.633 -10.852 1.00 60.42 H new ATOM 0 HA TRP A 41 -0.661 -3.961 -8.650 1.00 30.13 H new ATOM 0 HB2 TRP A 41 1.181 -4.642 -10.000 1.00 62.53 H new ATOM 0 HB3 TRP A 41 0.412 -4.103 -11.480 1.00 62.53 H new ATOM 0 HD1 TRP A 41 2.106 -2.626 -8.313 1.00 52.23 H new ATOM 0 HE1 TRP A 41 3.016 -0.267 -8.866 1.00 4.34 H new ATOM 0 HE3 TRP A 41 0.211 -2.177 -13.039 1.00 74.41 H new ATOM 0 HZ2 TRP A 41 2.914 1.507 -11.044 1.00 33.31 H new ATOM 0 HZ3 TRP A 41 0.659 -0.111 -14.299 1.00 43.24 H new ATOM 0 HH2 TRP A 41 2.000 1.704 -13.317 1.00 41.11 H new ATOM 592 N LYS A 42 -1.672 -1.736 -9.012 1.00 23.42 N ATOM 593 CA LYS A 42 -2.372 -0.466 -9.161 1.00 33.31 C ATOM 594 C LYS A 42 -1.511 0.690 -8.661 1.00 42.40 C ATOM 595 O LYS A 42 -0.648 0.508 -7.802 1.00 2.24 O ATOM 596 CB LYS A 42 -3.698 -0.496 -8.397 1.00 23.12 C ATOM 597 CG LYS A 42 -3.554 -0.933 -6.949 1.00 2.20 C ATOM 598 CD LYS A 42 -4.123 -2.326 -6.729 1.00 24.23 C ATOM 599 CE LYS A 42 -4.293 -2.631 -5.249 1.00 42.43 C ATOM 600 NZ LYS A 42 -5.185 -1.646 -4.578 1.00 63.13 N ATOM 0 H LYS A 42 -1.277 -1.893 -8.085 1.00 23.42 H new ATOM 0 HA LYS A 42 -2.575 -0.314 -10.221 1.00 33.31 H new ATOM 0 HB2 LYS A 42 -4.147 0.497 -8.426 1.00 23.12 H new ATOM 0 HB3 LYS A 42 -4.386 -1.172 -8.905 1.00 23.12 H new ATOM 0 HG2 LYS A 42 -2.501 -0.920 -6.667 1.00 2.20 H new ATOM 0 HG3 LYS A 42 -4.067 -0.223 -6.301 1.00 2.20 H new ATOM 0 HD2 LYS A 42 -5.086 -2.410 -7.232 1.00 24.23 H new ATOM 0 HD3 LYS A 42 -3.462 -3.066 -7.180 1.00 24.23 H new ATOM 0 HE2 LYS A 42 -4.704 -3.633 -5.130 1.00 42.43 H new ATOM 0 HE3 LYS A 42 -3.317 -2.627 -4.763 1.00 42.43 H new ATOM 0 HZ1 LYS A 42 -5.588 -2.071 -3.719 1.00 63.13 H new ATOM 0 HZ2 LYS A 42 -4.637 -0.800 -4.322 1.00 63.13 H new ATOM 0 HZ3 LYS A 42 -5.954 -1.378 -5.224 1.00 63.13 H new ATOM 610 N VAL A 43 -1.753 1.879 -9.203 1.00 61.21 N ATOM 611 CA VAL A 43 -1.002 3.066 -8.810 1.00 41.15 C ATOM 612 C VAL A 43 -1.834 3.971 -7.910 1.00 5.40 C ATOM 613 O VAL A 43 -2.838 4.539 -8.339 1.00 24.22 O ATOM 614 CB VAL A 43 -0.538 3.870 -10.039 1.00 62.42 C ATOM 615 CG1 VAL A 43 0.422 4.974 -9.625 1.00 51.45 C ATOM 616 CG2 VAL A 43 0.104 2.950 -11.066 1.00 12.43 C ATOM 0 H VAL A 43 -2.463 2.046 -9.916 1.00 61.21 H new ATOM 0 HA VAL A 43 -0.127 2.718 -8.261 1.00 41.15 H new ATOM 0 HB VAL A 43 -1.411 4.335 -10.497 1.00 62.42 H new ATOM 0 HG11 VAL A 43 0.739 5.531 -10.507 1.00 51.45 H new ATOM 0 HG12 VAL A 43 -0.078 5.649 -8.930 1.00 51.45 H new ATOM 0 HG13 VAL A 43 1.294 4.535 -9.141 1.00 51.45 H new ATOM 0 HG21 VAL A 43 0.426 3.535 -11.928 1.00 12.43 H new ATOM 0 HG22 VAL A 43 0.967 2.454 -10.621 1.00 12.43 H new ATOM 0 HG23 VAL A 43 -0.620 2.201 -11.386 1.00 12.43 H new ATOM 626 N LEU A 44 -1.411 4.100 -6.657 1.00 32.11 N ATOM 627 CA LEU A 44 -2.117 4.937 -5.693 1.00 41.12 C ATOM 628 C LEU A 44 -1.528 6.344 -5.659 1.00 64.21 C ATOM 629 O LEU A 44 -0.328 6.531 -5.856 1.00 3.10 O ATOM 630 CB LEU A 44 -2.051 4.312 -4.299 1.00 63.10 C ATOM 631 CG LEU A 44 -3.127 3.275 -3.977 1.00 2.53 C ATOM 632 CD1 LEU A 44 -3.095 2.139 -4.989 1.00 41.23 C ATOM 633 CD2 LEU A 44 -2.946 2.737 -2.565 1.00 11.23 C ATOM 0 H LEU A 44 -0.583 3.636 -6.285 1.00 32.11 H new ATOM 0 HA LEU A 44 -3.159 5.006 -6.005 1.00 41.12 H new ATOM 0 HB2 LEU A 44 -1.075 3.842 -4.179 1.00 63.10 H new ATOM 0 HB3 LEU A 44 -2.113 5.112 -3.561 1.00 63.10 H new ATOM 0 HG LEU A 44 -4.101 3.761 -4.037 1.00 2.53 H new ATOM 0 HD11 LEU A 44 -3.868 1.411 -4.743 1.00 41.23 H new ATOM 0 HD12 LEU A 44 -3.275 2.536 -5.988 1.00 41.23 H new ATOM 0 HD13 LEU A 44 -2.119 1.655 -4.962 1.00 41.23 H new ATOM 0 HD21 LEU A 44 -3.721 2.000 -2.354 1.00 11.23 H new ATOM 0 HD22 LEU A 44 -1.966 2.268 -2.477 1.00 11.23 H new ATOM 0 HD23 LEU A 44 -3.021 3.557 -1.851 1.00 11.23 H new ATOM 644 N SER A 45 -2.382 7.331 -5.407 1.00 13.44 N ATOM 645 CA SER A 45 -1.947 8.721 -5.348 1.00 74.40 C ATOM 646 C SER A 45 -2.345 9.360 -4.021 1.00 15.35 C ATOM 647 O SER A 45 -3.213 8.867 -3.300 1.00 34.20 O ATOM 648 CB SER A 45 -2.550 9.515 -6.510 1.00 13.25 C ATOM 649 OG SER A 45 -3.748 8.917 -6.970 1.00 24.23 O ATOM 0 H SER A 45 -3.379 7.194 -5.240 1.00 13.44 H new ATOM 0 HA SER A 45 -0.860 8.739 -5.428 1.00 74.40 H new ATOM 0 HB2 SER A 45 -2.750 10.538 -6.190 1.00 13.25 H new ATOM 0 HB3 SER A 45 -1.831 9.571 -7.327 1.00 13.25 H new ATOM 0 HG SER A 45 -4.113 9.444 -7.711 1.00 24.23 H new ATOM 772 N ALA A 56 -9.010 0.445 -2.240 1.00 11.05 N ATOM 773 CA ALA A 56 -8.749 1.255 -1.056 1.00 22.55 C ATOM 774 C ALA A 56 -8.537 2.718 -1.428 1.00 21.20 C ATOM 775 O ALA A 56 -8.473 3.066 -2.607 1.00 24.23 O ATOM 776 CB ALA A 56 -7.540 0.719 -0.303 1.00 72.33 C ATOM 0 HA ALA A 56 -9.622 1.195 -0.406 1.00 22.55 H new ATOM 0 HB1 ALA A 56 -7.358 1.334 0.578 1.00 72.33 H new ATOM 0 HB2 ALA A 56 -7.730 -0.309 0.005 1.00 72.33 H new ATOM 0 HB3 ALA A 56 -6.665 0.747 -0.952 1.00 72.33 H new ATOM 782 N ARG A 57 -8.428 3.572 -0.415 1.00 21.42 N ATOM 783 CA ARG A 57 -8.224 4.999 -0.636 1.00 65.51 C ATOM 784 C ARG A 57 -6.964 5.484 0.073 1.00 13.33 C ATOM 785 O ARG A 57 -6.416 4.792 0.930 1.00 0.25 O ATOM 786 CB ARG A 57 -9.437 5.790 -0.142 1.00 32.51 C ATOM 787 CG ARG A 57 -10.239 5.072 0.931 1.00 60.35 C ATOM 788 CD ARG A 57 -9.424 4.876 2.199 1.00 54.04 C ATOM 789 NE ARG A 57 -9.342 6.099 2.991 1.00 55.44 N ATOM 790 CZ ARG A 57 -10.366 6.608 3.667 1.00 23.22 C ATOM 791 NH1 ARG A 57 -11.544 6.000 3.647 1.00 71.12 N ATOM 792 NH2 ARG A 57 -10.213 7.726 4.365 1.00 44.22 N ATOM 0 H ARG A 57 -8.478 3.300 0.567 1.00 21.42 H new ATOM 0 HA ARG A 57 -8.103 5.163 -1.707 1.00 65.51 H new ATOM 0 HB2 ARG A 57 -9.099 6.749 0.250 1.00 32.51 H new ATOM 0 HB3 ARG A 57 -10.089 6.004 -0.989 1.00 32.51 H new ATOM 0 HG2 ARG A 57 -11.137 5.645 1.160 1.00 60.35 H new ATOM 0 HG3 ARG A 57 -10.567 4.103 0.554 1.00 60.35 H new ATOM 0 HD2 ARG A 57 -9.873 4.085 2.800 1.00 54.04 H new ATOM 0 HD3 ARG A 57 -8.419 4.546 1.936 1.00 54.04 H new ATOM 0 HE ARG A 57 -8.449 6.590 3.028 1.00 55.44 H new ATOM 0 HH11 ARG A 57 -11.665 5.140 3.112 1.00 71.12 H new ATOM 0 HH12 ARG A 57 -12.329 6.392 4.167 1.00 71.12 H new ATOM 0 HH21 ARG A 57 -9.308 8.196 4.383 1.00 44.22 H new ATOM 0 HH22 ARG A 57 -11.000 8.115 4.883 1.00 44.22 H new ATOM 803 N VAL A 58 -6.510 6.680 -0.290 1.00 63.32 N ATOM 804 CA VAL A 58 -5.315 7.259 0.310 1.00 41.02 C ATOM 805 C VAL A 58 -5.670 8.423 1.228 1.00 34.14 C ATOM 806 O VAL A 58 -6.411 9.328 0.843 1.00 32.21 O ATOM 807 CB VAL A 58 -4.327 7.751 -0.765 1.00 3.32 C ATOM 808 CG1 VAL A 58 -3.045 8.255 -0.123 1.00 11.01 C ATOM 809 CG2 VAL A 58 -4.031 6.641 -1.764 1.00 24.45 C ATOM 0 H VAL A 58 -6.953 7.267 -0.997 1.00 63.32 H new ATOM 0 HA VAL A 58 -4.841 6.470 0.894 1.00 41.02 H new ATOM 0 HB VAL A 58 -4.786 8.581 -1.302 1.00 3.32 H new ATOM 0 HG11 VAL A 58 -2.360 8.598 -0.899 1.00 11.01 H new ATOM 0 HG12 VAL A 58 -3.275 9.082 0.549 1.00 11.01 H new ATOM 0 HG13 VAL A 58 -2.579 7.447 0.441 1.00 11.01 H new ATOM 0 HG21 VAL A 58 -3.332 7.006 -2.516 1.00 24.45 H new ATOM 0 HG22 VAL A 58 -3.592 5.790 -1.243 1.00 24.45 H new ATOM 0 HG23 VAL A 58 -4.957 6.332 -2.249 1.00 24.45 H new ATOM 819 N LEU A 59 -5.136 8.393 2.444 1.00 12.04 N ATOM 820 CA LEU A 59 -5.396 9.448 3.420 1.00 44.25 C ATOM 821 C LEU A 59 -4.728 10.753 3.001 1.00 31.41 C ATOM 822 O LEU A 59 -3.761 10.768 2.238 1.00 0.24 O ATOM 823 CB LEU A 59 -4.894 9.025 4.801 1.00 35.05 C ATOM 824 CG LEU A 59 -5.764 8.015 5.551 1.00 30.34 C ATOM 825 CD1 LEU A 59 -5.048 7.516 6.797 1.00 73.02 C ATOM 826 CD2 LEU A 59 -7.105 8.634 5.916 1.00 2.12 C ATOM 0 H LEU A 59 -4.521 7.651 2.778 1.00 12.04 H new ATOM 0 HA LEU A 59 -6.473 9.611 3.465 1.00 44.25 H new ATOM 0 HB2 LEU A 59 -3.896 8.602 4.689 1.00 35.05 H new ATOM 0 HB3 LEU A 59 -4.794 9.918 5.418 1.00 35.05 H new ATOM 0 HG LEU A 59 -5.946 7.163 4.896 1.00 30.34 H new ATOM 0 HD11 LEU A 59 -5.682 6.798 7.318 1.00 73.02 H new ATOM 0 HD12 LEU A 59 -4.113 7.034 6.511 1.00 73.02 H new ATOM 0 HD13 LEU A 59 -4.835 8.358 7.456 1.00 73.02 H new ATOM 0 HD21 LEU A 59 -7.711 7.901 6.449 1.00 2.12 H new ATOM 0 HD22 LEU A 59 -6.943 9.503 6.553 1.00 2.12 H new ATOM 0 HD23 LEU A 59 -7.623 8.941 5.008 1.00 2.12 H new ATOM 837 N PRO A 60 -5.253 11.878 3.510 1.00 4.14 N ATOM 838 CA PRO A 60 -4.722 13.209 3.206 1.00 43.13 C ATOM 839 C PRO A 60 -3.354 13.445 3.836 1.00 11.32 C ATOM 840 O PRO A 60 -2.595 14.305 3.390 1.00 21.02 O ATOM 841 CB PRO A 60 -5.763 14.154 3.815 1.00 55.55 C ATOM 842 CG PRO A 60 -6.404 13.361 4.900 1.00 62.44 C ATOM 843 CD PRO A 60 -6.406 11.933 4.425 1.00 32.55 C ATOM 0 HA PRO A 60 -4.570 13.353 2.136 1.00 43.13 H new ATOM 0 HB2 PRO A 60 -5.296 15.057 4.208 1.00 55.55 H new ATOM 0 HB3 PRO A 60 -6.494 14.470 3.071 1.00 55.55 H new ATOM 0 HG2 PRO A 60 -5.852 13.461 5.834 1.00 62.44 H new ATOM 0 HG3 PRO A 60 -7.419 13.710 5.091 1.00 62.44 H new ATOM 0 HD2 PRO A 60 -6.296 11.233 5.254 1.00 32.55 H new ATOM 0 HD3 PRO A 60 -7.336 11.680 3.916 1.00 32.55 H new ATOM 848 N ASN A 61 -3.046 12.677 4.876 1.00 74.20 N ATOM 849 CA ASN A 61 -1.768 12.803 5.568 1.00 71.00 C ATOM 850 C ASN A 61 -0.673 12.038 4.833 1.00 61.15 C ATOM 851 O ASN A 61 0.477 12.007 5.269 1.00 1.31 O ATOM 852 CB ASN A 61 -1.889 12.290 7.005 1.00 31.32 C ATOM 853 CG ASN A 61 -2.616 10.962 7.083 1.00 1.20 C ATOM 854 OD1 ASN A 61 -2.594 10.173 6.139 1.00 42.43 O ATOM 855 ND2 ASN A 61 -3.263 10.708 8.214 1.00 4.35 N ATOM 0 H ASN A 61 -3.664 11.961 5.258 1.00 74.20 H new ATOM 0 HA ASN A 61 -1.497 13.859 5.588 1.00 71.00 H new ATOM 0 HB2 ASN A 61 -0.893 12.182 7.435 1.00 31.32 H new ATOM 0 HB3 ASN A 61 -2.419 13.027 7.608 1.00 31.32 H new ATOM 0 HD21 ASN A 61 -3.769 9.829 8.326 1.00 4.35 H new ATOM 0 HD22 ASN A 61 -3.254 11.392 8.971 1.00 4.35 H new ATOM 861 N GLY A 62 -1.039 11.422 3.714 1.00 74.14 N ATOM 862 CA GLY A 62 -0.077 10.665 2.934 1.00 1.40 C ATOM 863 C GLY A 62 -0.033 9.203 3.330 1.00 42.53 C ATOM 864 O GLY A 62 0.987 8.536 3.158 1.00 73.21 O ATOM 0 H GLY A 62 -1.985 11.433 3.333 1.00 74.14 H new ATOM 0 HA2 GLY A 62 -0.328 10.744 1.876 1.00 1.40 H new ATOM 0 HA3 GLY A 62 0.913 11.103 3.060 1.00 1.40 H new ATOM 868 N SER A 63 -1.143 8.702 3.863 1.00 53.52 N ATOM 869 CA SER A 63 -1.225 7.310 4.288 1.00 4.02 C ATOM 870 C SER A 63 -2.170 6.520 3.387 1.00 30.20 C ATOM 871 O SER A 63 -2.757 7.068 2.452 1.00 54.51 O ATOM 872 CB SER A 63 -1.700 7.226 5.741 1.00 40.33 C ATOM 873 OG SER A 63 -0.661 7.579 6.637 1.00 14.12 O ATOM 0 H SER A 63 -1.997 9.239 4.011 1.00 53.52 H new ATOM 0 HA SER A 63 -0.229 6.874 4.211 1.00 4.02 H new ATOM 0 HB2 SER A 63 -2.552 7.890 5.887 1.00 40.33 H new ATOM 0 HB3 SER A 63 -2.043 6.214 5.957 1.00 40.33 H new ATOM 0 HG SER A 63 -0.989 7.519 7.558 1.00 14.12 H new ATOM 878 N LEU A 64 -2.313 5.232 3.674 1.00 44.52 N ATOM 879 CA LEU A 64 -3.187 4.365 2.890 1.00 41.30 C ATOM 880 C LEU A 64 -4.126 3.575 3.797 1.00 53.05 C ATOM 881 O LEU A 64 -3.689 2.931 4.751 1.00 71.23 O ATOM 882 CB LEU A 64 -2.355 3.405 2.038 1.00 2.05 C ATOM 883 CG LEU A 64 -3.079 2.156 1.535 1.00 50.15 C ATOM 884 CD1 LEU A 64 -4.281 2.541 0.687 1.00 44.31 C ATOM 885 CD2 LEU A 64 -2.127 1.272 0.741 1.00 50.01 C ATOM 0 H LEU A 64 -1.835 4.764 4.444 1.00 44.52 H new ATOM 0 HA LEU A 64 -3.789 4.994 2.234 1.00 41.30 H new ATOM 0 HB2 LEU A 64 -1.975 3.952 1.176 1.00 2.05 H new ATOM 0 HB3 LEU A 64 -1.490 3.089 2.622 1.00 2.05 H new ATOM 0 HG LEU A 64 -3.434 1.593 2.398 1.00 50.15 H new ATOM 0 HD11 LEU A 64 -4.784 1.639 0.338 1.00 44.31 H new ATOM 0 HD12 LEU A 64 -4.973 3.134 1.285 1.00 44.31 H new ATOM 0 HD13 LEU A 64 -3.949 3.126 -0.170 1.00 44.31 H new ATOM 0 HD21 LEU A 64 -2.659 0.387 0.390 1.00 50.01 H new ATOM 0 HD22 LEU A 64 -1.743 1.827 -0.115 1.00 50.01 H new ATOM 0 HD23 LEU A 64 -1.297 0.967 1.378 1.00 50.01 H new ATOM 896 N PHE A 65 -5.419 3.627 3.490 1.00 31.04 N ATOM 897 CA PHE A 65 -6.419 2.915 4.276 1.00 34.53 C ATOM 898 C PHE A 65 -7.264 2.008 3.388 1.00 40.14 C ATOM 899 O PHE A 65 -7.763 2.431 2.343 1.00 30.21 O ATOM 900 CB PHE A 65 -7.320 3.910 5.013 1.00 43.43 C ATOM 901 CG PHE A 65 -8.079 3.296 6.156 1.00 14.35 C ATOM 902 CD1 PHE A 65 -9.043 2.329 5.925 1.00 22.15 C ATOM 903 CD2 PHE A 65 -7.827 3.690 7.462 1.00 45.44 C ATOM 904 CE1 PHE A 65 -9.743 1.764 6.975 1.00 1.33 C ATOM 905 CE2 PHE A 65 -8.522 3.127 8.515 1.00 70.42 C ATOM 906 CZ PHE A 65 -9.483 2.163 8.271 1.00 72.43 C ATOM 0 H PHE A 65 -5.798 4.154 2.703 1.00 31.04 H new ATOM 0 HA PHE A 65 -5.898 2.295 5.006 1.00 34.53 H new ATOM 0 HB2 PHE A 65 -6.710 4.730 5.391 1.00 43.43 H new ATOM 0 HB3 PHE A 65 -8.029 4.340 4.305 1.00 43.43 H new ATOM 0 HD1 PHE A 65 -9.250 2.013 4.913 1.00 22.15 H new ATOM 0 HD2 PHE A 65 -7.080 4.445 7.658 1.00 45.44 H new ATOM 0 HE1 PHE A 65 -10.493 1.011 6.782 1.00 1.33 H new ATOM 0 HE2 PHE A 65 -8.315 3.440 9.528 1.00 70.42 H new ATOM 0 HZ PHE A 65 -10.029 1.723 9.092 1.00 72.43 H new ATOM 915 N LEU A 66 -7.420 0.758 3.807 1.00 20.15 N ATOM 916 CA LEU A 66 -8.204 -0.211 3.051 1.00 5.52 C ATOM 917 C LEU A 66 -9.449 -0.631 3.827 1.00 74.34 C ATOM 918 O LEU A 66 -9.379 -1.052 4.981 1.00 31.22 O ATOM 919 CB LEU A 66 -7.354 -1.442 2.725 1.00 21.12 C ATOM 920 CG LEU A 66 -6.041 -1.175 1.991 1.00 62.24 C ATOM 921 CD1 LEU A 66 -4.878 -1.143 2.970 1.00 54.42 C ATOM 922 CD2 LEU A 66 -5.807 -2.226 0.916 1.00 61.24 C ATOM 0 H LEU A 66 -7.013 0.391 4.667 1.00 20.15 H new ATOM 0 HA LEU A 66 -8.520 0.262 2.121 1.00 5.52 H new ATOM 0 HB2 LEU A 66 -7.127 -1.959 3.657 1.00 21.12 H new ATOM 0 HB3 LEU A 66 -7.953 -2.123 2.120 1.00 21.12 H new ATOM 0 HG LEU A 66 -6.109 -0.200 1.509 1.00 62.24 H new ATOM 0 HD11 LEU A 66 -3.952 -0.952 2.428 1.00 54.42 H new ATOM 0 HD12 LEU A 66 -5.040 -0.352 3.702 1.00 54.42 H new ATOM 0 HD13 LEU A 66 -4.807 -2.102 3.482 1.00 54.42 H new ATOM 0 HD21 LEU A 66 -4.867 -2.020 0.404 1.00 61.24 H new ATOM 0 HD22 LEU A 66 -5.760 -3.213 1.376 1.00 61.24 H new ATOM 0 HD23 LEU A 66 -6.626 -2.199 0.197 1.00 61.24 H new ATOM 933 N PRO A 67 -10.618 -0.514 3.179 1.00 53.45 N ATOM 934 CA PRO A 67 -11.901 -0.877 3.787 1.00 12.11 C ATOM 935 C PRO A 67 -12.045 -2.383 3.978 1.00 22.22 C ATOM 936 O PRO A 67 -12.689 -2.839 4.923 1.00 34.13 O ATOM 937 CB PRO A 67 -12.930 -0.365 2.778 1.00 44.11 C ATOM 938 CG PRO A 67 -12.207 -0.346 1.474 1.00 10.03 C ATOM 939 CD PRO A 67 -10.776 -0.018 1.801 1.00 51.24 C ATOM 0 HA PRO A 67 -12.015 -0.452 4.784 1.00 12.11 H new ATOM 0 HB2 PRO A 67 -13.803 -1.017 2.737 1.00 44.11 H new ATOM 0 HB3 PRO A 67 -13.287 0.629 3.047 1.00 44.11 H new ATOM 0 HG2 PRO A 67 -12.282 -1.311 0.972 1.00 10.03 H new ATOM 0 HG3 PRO A 67 -12.634 0.398 0.801 1.00 10.03 H new ATOM 0 HD2 PRO A 67 -10.085 -0.509 1.116 1.00 51.24 H new ATOM 0 HD3 PRO A 67 -10.584 1.053 1.735 1.00 51.24 H new ATOM 944 N ALA A 68 -11.443 -3.150 3.077 1.00 54.25 N ATOM 945 CA ALA A 68 -11.502 -4.605 3.148 1.00 31.03 C ATOM 946 C ALA A 68 -10.509 -5.243 2.183 1.00 72.02 C ATOM 947 O ALA A 68 -10.779 -5.361 0.986 1.00 14.53 O ATOM 948 CB ALA A 68 -12.914 -5.090 2.854 1.00 21.04 C ATOM 0 H ALA A 68 -10.908 -2.788 2.288 1.00 54.25 H new ATOM 0 HA ALA A 68 -11.229 -4.906 4.159 1.00 31.03 H new ATOM 0 HB1 ALA A 68 -12.944 -6.178 2.910 1.00 21.04 H new ATOM 0 HB2 ALA A 68 -13.603 -4.670 3.587 1.00 21.04 H new ATOM 0 HB3 ALA A 68 -13.208 -4.770 1.854 1.00 21.04 H new ATOM 954 N VAL A 69 -9.359 -5.654 2.709 1.00 43.34 N ATOM 955 CA VAL A 69 -8.326 -6.281 1.892 1.00 32.24 C ATOM 956 C VAL A 69 -8.716 -7.704 1.512 1.00 21.12 C ATOM 957 O VAL A 69 -8.845 -8.575 2.372 1.00 2.42 O ATOM 958 CB VAL A 69 -6.973 -6.309 2.626 1.00 52.33 C ATOM 959 CG1 VAL A 69 -6.401 -4.905 2.745 1.00 11.53 C ATOM 960 CG2 VAL A 69 -7.123 -6.950 3.997 1.00 10.51 C ATOM 0 H VAL A 69 -9.119 -5.564 3.696 1.00 43.34 H new ATOM 0 HA VAL A 69 -8.228 -5.681 0.987 1.00 32.24 H new ATOM 0 HB VAL A 69 -6.276 -6.911 2.043 1.00 52.33 H new ATOM 0 HG11 VAL A 69 -5.445 -4.945 3.267 1.00 11.53 H new ATOM 0 HG12 VAL A 69 -6.254 -4.486 1.749 1.00 11.53 H new ATOM 0 HG13 VAL A 69 -7.094 -4.276 3.305 1.00 11.53 H new ATOM 0 HG21 VAL A 69 -6.157 -6.961 4.501 1.00 10.51 H new ATOM 0 HG22 VAL A 69 -7.835 -6.377 4.591 1.00 10.51 H new ATOM 0 HG23 VAL A 69 -7.485 -7.972 3.883 1.00 10.51 H new ATOM 970 N GLY A 70 -8.902 -7.936 0.215 1.00 63.41 N ATOM 971 CA GLY A 70 -9.275 -9.257 -0.256 1.00 54.12 C ATOM 972 C GLY A 70 -8.073 -10.088 -0.659 1.00 41.12 C ATOM 973 O GLY A 70 -6.966 -9.567 -0.790 1.00 14.30 O ATOM 0 H GLY A 70 -8.801 -7.233 -0.517 1.00 63.41 H new ATOM 0 HA2 GLY A 70 -9.826 -9.777 0.528 1.00 54.12 H new ATOM 0 HA3 GLY A 70 -9.948 -9.159 -1.108 1.00 54.12 H new ATOM 977 N ILE A 71 -8.291 -11.384 -0.855 1.00 63.33 N ATOM 978 CA ILE A 71 -7.217 -12.289 -1.245 1.00 33.35 C ATOM 979 C ILE A 71 -6.510 -11.794 -2.501 1.00 14.53 C ATOM 980 O ILE A 71 -5.318 -12.040 -2.691 1.00 60.21 O ATOM 981 CB ILE A 71 -7.744 -13.714 -1.493 1.00 43.10 C ATOM 982 CG1 ILE A 71 -6.717 -14.750 -1.029 1.00 1.12 C ATOM 983 CG2 ILE A 71 -8.071 -13.909 -2.966 1.00 74.11 C ATOM 984 CD1 ILE A 71 -6.574 -15.923 -1.971 1.00 41.33 C ATOM 0 H ILE A 71 -9.202 -11.831 -0.750 1.00 63.33 H new ATOM 0 HA ILE A 71 -6.508 -12.312 -0.418 1.00 33.35 H new ATOM 0 HB ILE A 71 -8.658 -13.852 -0.916 1.00 43.10 H new ATOM 0 HG12 ILE A 71 -5.748 -14.264 -0.917 1.00 1.12 H new ATOM 0 HG13 ILE A 71 -7.004 -15.118 -0.044 1.00 1.12 H new ATOM 0 HG21 ILE A 71 -8.442 -14.921 -3.125 1.00 74.11 H new ATOM 0 HG22 ILE A 71 -8.834 -13.191 -3.268 1.00 74.11 H new ATOM 0 HG23 ILE A 71 -7.171 -13.755 -3.562 1.00 74.11 H new ATOM 0 HD11 ILE A 71 -5.830 -16.616 -1.579 1.00 41.33 H new ATOM 0 HD12 ILE A 71 -7.532 -16.434 -2.064 1.00 41.33 H new ATOM 0 HD13 ILE A 71 -6.256 -15.566 -2.951 1.00 41.33 H new ATOM 995 N GLN A 72 -7.251 -11.095 -3.354 1.00 1.23 N ATOM 996 CA GLN A 72 -6.694 -10.564 -4.593 1.00 50.33 C ATOM 997 C GLN A 72 -5.825 -9.341 -4.319 1.00 1.31 C ATOM 998 O GLN A 72 -4.952 -8.996 -5.115 1.00 51.54 O ATOM 999 CB GLN A 72 -7.816 -10.200 -5.566 1.00 75.24 C ATOM 1000 CG GLN A 72 -8.228 -11.348 -6.475 1.00 32.45 C ATOM 1001 CD GLN A 72 -9.423 -11.004 -7.342 1.00 62.24 C ATOM 1002 OE1 GLN A 72 -10.394 -11.757 -7.408 1.00 21.04 O ATOM 1003 NE2 GLN A 72 -9.358 -9.861 -8.015 1.00 13.41 N ATOM 0 H GLN A 72 -8.238 -10.883 -3.210 1.00 1.23 H new ATOM 0 HA GLN A 72 -6.070 -11.337 -5.042 1.00 50.33 H new ATOM 0 HB2 GLN A 72 -8.685 -9.867 -4.998 1.00 75.24 H new ATOM 0 HB3 GLN A 72 -7.495 -9.358 -6.180 1.00 75.24 H new ATOM 0 HG2 GLN A 72 -7.387 -11.621 -7.113 1.00 32.45 H new ATOM 0 HG3 GLN A 72 -8.464 -12.221 -5.867 1.00 32.45 H new ATOM 0 HE21 GLN A 72 -8.534 -9.266 -7.931 1.00 13.41 H new ATOM 0 HE22 GLN A 72 -10.132 -9.578 -8.615 1.00 13.41 H new ATOM 1010 N ASP A 73 -6.072 -8.688 -3.188 1.00 51.02 N ATOM 1011 CA ASP A 73 -5.311 -7.503 -2.809 1.00 22.32 C ATOM 1012 C ASP A 73 -3.962 -7.890 -2.212 1.00 73.51 C ATOM 1013 O ASP A 73 -3.115 -7.033 -1.963 1.00 41.32 O ATOM 1014 CB ASP A 73 -6.104 -6.662 -1.807 1.00 23.05 C ATOM 1015 CG ASP A 73 -5.488 -6.680 -0.421 1.00 75.03 C ATOM 1016 OD1 ASP A 73 -5.380 -7.776 0.167 1.00 14.25 O ATOM 1017 OD2 ASP A 73 -5.113 -5.597 0.075 1.00 75.44 O ATOM 0 H ASP A 73 -6.792 -8.959 -2.519 1.00 51.02 H new ATOM 0 HA ASP A 73 -5.133 -6.913 -3.708 1.00 22.32 H new ATOM 0 HB2 ASP A 73 -6.159 -5.633 -2.164 1.00 23.05 H new ATOM 0 HB3 ASP A 73 -7.126 -7.036 -1.752 1.00 23.05 H new ATOM 1021 N GLU A 74 -3.772 -9.185 -1.985 1.00 3.34 N ATOM 1022 CA GLU A 74 -2.526 -9.686 -1.415 1.00 53.24 C ATOM 1023 C GLU A 74 -1.338 -9.321 -2.302 1.00 4.51 C ATOM 1024 O GLU A 74 -1.428 -9.361 -3.529 1.00 24.15 O ATOM 1025 CB GLU A 74 -2.594 -11.204 -1.235 1.00 21.21 C ATOM 1026 CG GLU A 74 -2.436 -11.979 -2.532 1.00 21.02 C ATOM 1027 CD GLU A 74 -2.469 -13.479 -2.322 1.00 1.50 C ATOM 1028 OE1 GLU A 74 -2.617 -13.914 -1.160 1.00 64.21 O ATOM 1029 OE2 GLU A 74 -2.346 -14.221 -3.319 1.00 20.10 O ATOM 0 H GLU A 74 -4.464 -9.907 -2.187 1.00 3.34 H new ATOM 0 HA GLU A 74 -2.388 -9.218 -0.440 1.00 53.24 H new ATOM 0 HB2 GLU A 74 -1.814 -11.514 -0.539 1.00 21.21 H new ATOM 0 HB3 GLU A 74 -3.549 -11.465 -0.780 1.00 21.21 H new ATOM 0 HG2 GLU A 74 -3.232 -11.695 -3.220 1.00 21.02 H new ATOM 0 HG3 GLU A 74 -1.493 -11.703 -3.004 1.00 21.02 H new ATOM 1034 N GLY A 75 -0.223 -8.965 -1.670 1.00 42.45 N ATOM 1035 CA GLY A 75 0.967 -8.598 -2.415 1.00 71.23 C ATOM 1036 C GLY A 75 1.912 -7.730 -1.609 1.00 0.31 C ATOM 1037 O GLY A 75 2.070 -7.928 -0.404 1.00 13.54 O ATOM 0 H GLY A 75 -0.123 -8.924 -0.656 1.00 42.45 H new ATOM 0 HA2 GLY A 75 1.488 -9.502 -2.729 1.00 71.23 H new ATOM 0 HA3 GLY A 75 0.675 -8.067 -3.321 1.00 71.23 H new ATOM 1041 N ILE A 76 2.542 -6.767 -2.273 1.00 24.42 N ATOM 1042 CA ILE A 76 3.476 -5.867 -1.610 1.00 64.30 C ATOM 1043 C ILE A 76 3.173 -4.411 -1.950 1.00 21.35 C ATOM 1044 O ILE A 76 3.036 -4.050 -3.118 1.00 71.25 O ATOM 1045 CB ILE A 76 4.932 -6.180 -1.999 1.00 73.20 C ATOM 1046 CG1 ILE A 76 5.352 -7.539 -1.437 1.00 71.01 C ATOM 1047 CG2 ILE A 76 5.861 -5.084 -1.501 1.00 20.44 C ATOM 1048 CD1 ILE A 76 4.833 -8.712 -2.239 1.00 23.22 C ATOM 0 H ILE A 76 2.422 -6.590 -3.270 1.00 24.42 H new ATOM 0 HA ILE A 76 3.354 -6.020 -0.538 1.00 64.30 H new ATOM 0 HB ILE A 76 5.001 -6.221 -3.086 1.00 73.20 H new ATOM 0 HG12 ILE A 76 6.440 -7.587 -1.401 1.00 71.01 H new ATOM 0 HG13 ILE A 76 4.995 -7.625 -0.411 1.00 71.01 H new ATOM 0 HG21 ILE A 76 6.887 -5.320 -1.784 1.00 20.44 H new ATOM 0 HG22 ILE A 76 5.572 -4.132 -1.946 1.00 20.44 H new ATOM 0 HG23 ILE A 76 5.791 -5.013 -0.416 1.00 20.44 H new ATOM 0 HD11 ILE A 76 5.170 -9.643 -1.782 1.00 23.22 H new ATOM 0 HD12 ILE A 76 3.743 -8.689 -2.254 1.00 23.22 H new ATOM 0 HD13 ILE A 76 5.211 -8.651 -3.259 1.00 23.22 H new ATOM 1059 N PHE A 77 3.068 -3.579 -0.918 1.00 22.21 N ATOM 1060 CA PHE A 77 2.782 -2.161 -1.108 1.00 44.21 C ATOM 1061 C PHE A 77 4.041 -1.322 -0.917 1.00 71.35 C ATOM 1062 O PHE A 77 4.764 -1.479 0.066 1.00 63.21 O ATOM 1063 CB PHE A 77 1.698 -1.704 -0.128 1.00 71.22 C ATOM 1064 CG PHE A 77 0.391 -2.425 -0.300 1.00 53.13 C ATOM 1065 CD1 PHE A 77 0.271 -3.760 0.050 1.00 13.21 C ATOM 1066 CD2 PHE A 77 -0.716 -1.768 -0.810 1.00 31.23 C ATOM 1067 CE1 PHE A 77 -0.929 -4.426 -0.107 1.00 41.23 C ATOM 1068 CE2 PHE A 77 -1.920 -2.428 -0.969 1.00 42.02 C ATOM 1069 CZ PHE A 77 -2.027 -3.759 -0.616 1.00 43.22 C ATOM 0 H PHE A 77 3.176 -3.861 0.056 1.00 22.21 H new ATOM 0 HA PHE A 77 2.425 -2.021 -2.128 1.00 44.21 H new ATOM 0 HB2 PHE A 77 2.055 -1.853 0.891 1.00 71.22 H new ATOM 0 HB3 PHE A 77 1.533 -0.634 -0.254 1.00 71.22 H new ATOM 0 HD1 PHE A 77 1.125 -4.286 0.450 1.00 13.21 H new ATOM 0 HD2 PHE A 77 -0.638 -0.727 -1.087 1.00 31.23 H new ATOM 0 HE1 PHE A 77 -1.009 -5.467 0.168 1.00 41.23 H new ATOM 0 HE2 PHE A 77 -2.776 -1.904 -1.369 1.00 42.02 H new ATOM 0 HZ PHE A 77 -2.967 -4.277 -0.738 1.00 43.22 H new ATOM 1078 N ARG A 78 4.298 -0.429 -1.868 1.00 50.14 N ATOM 1079 CA ARG A 78 5.471 0.435 -1.809 1.00 12.14 C ATOM 1080 C ARG A 78 5.076 1.901 -1.962 1.00 5.30 C ATOM 1081 O ARG A 78 4.193 2.238 -2.752 1.00 40.41 O ATOM 1082 CB ARG A 78 6.471 0.049 -2.900 1.00 50.23 C ATOM 1083 CG ARG A 78 7.745 -0.581 -2.363 1.00 52.20 C ATOM 1084 CD ARG A 78 8.879 0.430 -2.287 1.00 71.24 C ATOM 1085 NE ARG A 78 9.173 1.020 -3.591 1.00 15.20 N ATOM 1086 CZ ARG A 78 9.581 2.273 -3.755 1.00 55.23 C ATOM 1087 NH1 ARG A 78 9.743 3.064 -2.703 1.00 52.21 N ATOM 1088 NH2 ARG A 78 9.829 2.737 -4.973 1.00 32.52 N ATOM 0 H ARG A 78 3.709 -0.285 -2.688 1.00 50.14 H new ATOM 0 HA ARG A 78 5.939 0.303 -0.833 1.00 12.14 H new ATOM 0 HB2 ARG A 78 5.993 -0.648 -3.589 1.00 50.23 H new ATOM 0 HB3 ARG A 78 6.730 0.938 -3.475 1.00 50.23 H new ATOM 0 HG2 ARG A 78 7.558 -0.994 -1.372 1.00 52.20 H new ATOM 0 HG3 ARG A 78 8.039 -1.412 -3.004 1.00 52.20 H new ATOM 0 HD2 ARG A 78 8.615 1.219 -1.583 1.00 71.24 H new ATOM 0 HD3 ARG A 78 9.774 -0.057 -1.899 1.00 71.24 H new ATOM 0 HE ARG A 78 9.059 0.438 -4.421 1.00 15.20 H new ATOM 0 HH11 ARG A 78 9.554 2.710 -1.765 1.00 52.21 H new ATOM 0 HH12 ARG A 78 10.057 4.026 -2.832 1.00 52.21 H new ATOM 0 HH21 ARG A 78 9.706 2.131 -5.784 1.00 32.52 H new ATOM 0 HH22 ARG A 78 10.142 3.700 -5.098 1.00 32.52 H new ATOM 1099 N CYS A 79 5.733 2.768 -1.199 1.00 11.00 N ATOM 1100 CA CYS A 79 5.450 4.197 -1.248 1.00 31.11 C ATOM 1101 C CYS A 79 6.701 4.987 -1.624 1.00 65.45 C ATOM 1102 O CYS A 79 7.822 4.548 -1.374 1.00 14.20 O ATOM 1103 CB CYS A 79 4.917 4.679 0.104 1.00 55.42 C ATOM 1104 SG CYS A 79 6.039 5.815 0.982 1.00 0.15 S ATOM 0 H CYS A 79 6.465 2.506 -0.539 1.00 11.00 H new ATOM 0 HA CYS A 79 4.691 4.366 -2.012 1.00 31.11 H new ATOM 0 HB2 CYS A 79 3.960 5.178 -0.051 1.00 55.42 H new ATOM 0 HB3 CYS A 79 4.726 3.813 0.737 1.00 55.42 H new ATOM 1108 N GLN A 80 6.497 6.153 -2.229 1.00 13.21 N ATOM 1109 CA GLN A 80 7.609 7.002 -2.641 1.00 63.52 C ATOM 1110 C GLN A 80 7.300 8.471 -2.368 1.00 61.13 C ATOM 1111 O GLN A 80 6.270 8.990 -2.799 1.00 60.41 O ATOM 1112 CB GLN A 80 7.910 6.800 -4.127 1.00 22.14 C ATOM 1113 CG GLN A 80 8.367 5.390 -4.468 1.00 21.31 C ATOM 1114 CD GLN A 80 8.240 5.077 -5.945 1.00 74.02 C ATOM 1115 OE1 GLN A 80 7.519 4.009 -6.265 1.00 45.20 O flip ATOM 1116 NE2 GLN A 80 8.786 5.787 -6.791 1.00 41.31 N flip ATOM 0 H GLN A 80 5.574 6.531 -2.444 1.00 13.21 H new ATOM 0 HA GLN A 80 8.486 6.718 -2.059 1.00 63.52 H new ATOM 0 HB2 GLN A 80 7.016 7.033 -4.705 1.00 22.14 H new ATOM 0 HB3 GLN A 80 8.681 7.507 -4.433 1.00 22.14 H new ATOM 0 HG2 GLN A 80 9.406 5.265 -4.162 1.00 21.31 H new ATOM 0 HG3 GLN A 80 7.778 4.673 -3.897 1.00 21.31 H new ATOM 0 HE21 GLN A 80 9.331 6.599 -6.501 1.00 41.31 H new ATOM 0 HE22 GLN A 80 8.693 5.563 -7.782 1.00 41.31 H new ATOM 1123 N ALA A 81 8.200 9.137 -1.652 1.00 10.42 N ATOM 1124 CA ALA A 81 8.024 10.547 -1.324 1.00 42.31 C ATOM 1125 C ALA A 81 9.288 11.342 -1.629 1.00 53.04 C ATOM 1126 O ALA A 81 10.372 10.776 -1.770 1.00 42.34 O ATOM 1127 CB ALA A 81 7.640 10.704 0.140 1.00 72.11 C ATOM 0 H ALA A 81 9.058 8.723 -1.288 1.00 10.42 H new ATOM 0 HA ALA A 81 7.219 10.942 -1.944 1.00 42.31 H new ATOM 0 HB1 ALA A 81 7.512 11.761 0.371 1.00 72.11 H new ATOM 0 HB2 ALA A 81 6.706 10.175 0.330 1.00 72.11 H new ATOM 0 HB3 ALA A 81 8.427 10.288 0.769 1.00 72.11 H new ATOM 1133 N MET A 82 9.143 12.660 -1.732 1.00 50.21 N ATOM 1134 CA MET A 82 10.274 13.533 -2.021 1.00 20.23 C ATOM 1135 C MET A 82 10.318 14.706 -1.046 1.00 73.54 C ATOM 1136 O MET A 82 9.341 15.441 -0.904 1.00 12.20 O ATOM 1137 CB MET A 82 10.193 14.051 -3.458 1.00 32.03 C ATOM 1138 CG MET A 82 11.201 15.145 -3.768 1.00 32.42 C ATOM 1139 SD MET A 82 11.833 15.049 -5.454 1.00 52.34 S ATOM 1140 CE MET A 82 12.847 13.577 -5.353 1.00 42.13 C ATOM 0 H MET A 82 8.253 13.146 -1.619 1.00 50.21 H new ATOM 0 HA MET A 82 11.189 12.952 -1.904 1.00 20.23 H new ATOM 0 HB2 MET A 82 10.350 13.219 -4.145 1.00 32.03 H new ATOM 0 HB3 MET A 82 9.188 14.431 -3.642 1.00 32.03 H new ATOM 0 HG2 MET A 82 10.734 16.118 -3.614 1.00 32.42 H new ATOM 0 HG3 MET A 82 12.033 15.076 -3.068 1.00 32.42 H new ATOM 0 HE1 MET A 82 13.580 13.584 -6.160 1.00 42.13 H new ATOM 0 HE2 MET A 82 13.363 13.556 -4.393 1.00 42.13 H new ATOM 0 HE3 MET A 82 12.216 12.693 -5.444 1.00 42.13 H new ATOM 1148 N ASN A 83 11.455 14.876 -0.380 1.00 40.55 N ATOM 1149 CA ASN A 83 11.624 15.959 0.581 1.00 72.14 C ATOM 1150 C ASN A 83 12.095 17.234 -0.114 1.00 53.54 C ATOM 1151 O ASN A 83 12.420 17.222 -1.302 1.00 60.11 O ATOM 1152 CB ASN A 83 12.626 15.556 1.664 1.00 74.44 C ATOM 1153 CG ASN A 83 11.988 14.724 2.759 1.00 32.25 C ATOM 1154 OD1 ASN A 83 11.709 15.222 3.850 1.00 21.44 O ATOM 1155 ND2 ASN A 83 11.755 13.448 2.474 1.00 51.31 N ATOM 0 H ASN A 83 12.274 14.277 -0.488 1.00 40.55 H new ATOM 0 HA ASN A 83 10.657 16.154 1.045 1.00 72.14 H new ATOM 0 HB2 ASN A 83 13.440 14.992 1.210 1.00 74.44 H new ATOM 0 HB3 ASN A 83 13.065 16.453 2.101 1.00 74.44 H new ATOM 0 HD21 ASN A 83 11.329 12.839 3.172 1.00 51.31 H new ATOM 0 HD22 ASN A 83 12.002 13.077 1.557 1.00 51.31 H new ATOM 1161 N ARG A 84 12.130 18.331 0.634 1.00 65.22 N ATOM 1162 CA ARG A 84 12.560 19.613 0.090 1.00 23.45 C ATOM 1163 C ARG A 84 14.063 19.615 -0.173 1.00 64.11 C ATOM 1164 O ARG A 84 14.570 20.447 -0.925 1.00 64.22 O ATOM 1165 CB ARG A 84 12.199 20.746 1.053 1.00 54.41 C ATOM 1166 CG ARG A 84 10.764 21.228 0.916 1.00 43.23 C ATOM 1167 CD ARG A 84 9.837 20.500 1.878 1.00 52.25 C ATOM 1168 NE ARG A 84 10.157 20.790 3.273 1.00 73.45 N ATOM 1169 CZ ARG A 84 9.759 20.036 4.291 1.00 63.34 C ATOM 1170 NH1 ARG A 84 9.030 18.951 4.069 1.00 4.12 N ATOM 1171 NH2 ARG A 84 10.089 20.366 5.531 1.00 11.31 N ATOM 0 H ARG A 84 11.866 18.358 1.619 1.00 65.22 H new ATOM 0 HA ARG A 84 12.042 19.770 -0.856 1.00 23.45 H new ATOM 0 HB2 ARG A 84 12.364 20.408 2.076 1.00 54.41 H new ATOM 0 HB3 ARG A 84 12.873 21.585 0.882 1.00 54.41 H new ATOM 0 HG2 ARG A 84 10.719 22.300 1.107 1.00 43.23 H new ATOM 0 HG3 ARG A 84 10.423 21.072 -0.108 1.00 43.23 H new ATOM 0 HD2 ARG A 84 8.806 20.789 1.675 1.00 52.25 H new ATOM 0 HD3 ARG A 84 9.907 19.426 1.706 1.00 52.25 H new ATOM 0 HE ARG A 84 10.717 21.618 3.477 1.00 73.45 H new ATOM 0 HH11 ARG A 84 8.774 18.695 3.115 1.00 4.12 H new ATOM 0 HH12 ARG A 84 8.725 18.373 4.852 1.00 4.12 H new ATOM 0 HH21 ARG A 84 10.650 21.200 5.705 1.00 11.31 H new ATOM 0 HH22 ARG A 84 9.782 19.786 6.312 1.00 11.31 H new ATOM 1182 N ASN A 85 14.768 18.678 0.450 1.00 12.21 N ATOM 1183 CA ASN A 85 16.214 18.572 0.283 1.00 3.22 C ATOM 1184 C ASN A 85 16.564 18.013 -1.093 1.00 23.43 C ATOM 1185 O ASN A 85 17.682 18.177 -1.576 1.00 11.41 O ATOM 1186 CB ASN A 85 16.810 17.680 1.374 1.00 20.34 C ATOM 1187 CG ASN A 85 18.252 18.033 1.686 1.00 65.45 C ATOM 1188 OD1 ASN A 85 18.540 18.707 2.673 1.00 30.45 O ATOM 1189 ND2 ASN A 85 19.168 17.577 0.838 1.00 22.03 N ATOM 0 H ASN A 85 14.363 17.981 1.075 1.00 12.21 H new ATOM 0 HA ASN A 85 16.638 19.572 0.368 1.00 3.22 H new ATOM 0 HB2 ASN A 85 16.212 17.771 2.281 1.00 20.34 H new ATOM 0 HB3 ASN A 85 16.754 16.638 1.059 1.00 20.34 H new ATOM 0 HD21 ASN A 85 20.155 17.783 0.994 1.00 22.03 H new ATOM 0 HD22 ASN A 85 18.884 17.021 0.031 1.00 22.03 H new ATOM 1195 N GLY A 86 15.594 17.352 -1.720 1.00 2.41 N ATOM 1196 CA GLY A 86 15.820 16.779 -3.035 1.00 64.12 C ATOM 1197 C GLY A 86 15.878 15.265 -3.004 1.00 72.34 C ATOM 1198 O GLY A 86 15.762 14.610 -4.041 1.00 0.13 O ATOM 0 H GLY A 86 14.658 17.204 -1.342 1.00 2.41 H new ATOM 0 HA2 GLY A 86 15.023 17.096 -3.708 1.00 64.12 H new ATOM 0 HA3 GLY A 86 16.754 17.167 -3.442 1.00 64.12 H new ATOM 1202 N LYS A 87 16.061 14.704 -1.814 1.00 34.41 N ATOM 1203 CA LYS A 87 16.137 13.257 -1.652 1.00 33.32 C ATOM 1204 C LYS A 87 14.744 12.652 -1.516 1.00 21.25 C ATOM 1205 O LYS A 87 13.843 13.266 -0.947 1.00 22.14 O ATOM 1206 CB LYS A 87 16.980 12.904 -0.423 1.00 71.32 C ATOM 1207 CG LYS A 87 18.397 13.447 -0.483 1.00 13.24 C ATOM 1208 CD LYS A 87 19.374 12.400 -0.989 1.00 14.52 C ATOM 1209 CE LYS A 87 19.383 12.335 -2.508 1.00 53.21 C ATOM 1210 NZ LYS A 87 20.679 11.821 -3.033 1.00 74.34 N ATOM 0 H LYS A 87 16.160 15.230 -0.946 1.00 34.41 H new ATOM 0 HA LYS A 87 16.610 12.841 -2.541 1.00 33.32 H new ATOM 0 HB2 LYS A 87 16.488 13.293 0.469 1.00 71.32 H new ATOM 0 HB3 LYS A 87 17.019 11.820 -0.319 1.00 71.32 H new ATOM 0 HG2 LYS A 87 18.426 14.319 -1.136 1.00 13.24 H new ATOM 0 HG3 LYS A 87 18.702 13.781 0.509 1.00 13.24 H new ATOM 0 HD2 LYS A 87 20.376 12.631 -0.628 1.00 14.52 H new ATOM 0 HD3 LYS A 87 19.106 11.424 -0.583 1.00 14.52 H new ATOM 0 HE2 LYS A 87 18.572 11.691 -2.849 1.00 53.21 H new ATOM 0 HE3 LYS A 87 19.194 13.328 -2.915 1.00 53.21 H new ATOM 0 HZ1 LYS A 87 20.645 11.792 -4.072 1.00 74.34 H new ATOM 0 HZ2 LYS A 87 21.450 12.449 -2.729 1.00 74.34 H new ATOM 0 HZ3 LYS A 87 20.847 10.863 -2.665 1.00 74.34 H new ATOM 1220 N GLU A 88 14.575 11.443 -2.043 1.00 64.34 N ATOM 1221 CA GLU A 88 13.290 10.755 -1.979 1.00 31.31 C ATOM 1222 C GLU A 88 13.326 9.631 -0.948 1.00 52.24 C ATOM 1223 O GLU A 88 14.349 8.969 -0.768 1.00 32.33 O ATOM 1224 CB GLU A 88 12.921 10.191 -3.352 1.00 25.43 C ATOM 1225 CG GLU A 88 13.523 8.825 -3.632 1.00 44.13 C ATOM 1226 CD GLU A 88 15.038 8.831 -3.568 1.00 4.40 C ATOM 1227 OE1 GLU A 88 15.653 9.744 -4.156 1.00 15.30 O ATOM 1228 OE2 GLU A 88 15.608 7.924 -2.926 1.00 44.34 O ATOM 0 H GLU A 88 15.311 10.920 -2.518 1.00 64.34 H new ATOM 0 HA GLU A 88 12.533 11.478 -1.676 1.00 31.31 H new ATOM 0 HB2 GLU A 88 11.836 10.122 -3.427 1.00 25.43 H new ATOM 0 HB3 GLU A 88 13.251 10.888 -4.122 1.00 25.43 H new ATOM 0 HG2 GLU A 88 13.135 8.106 -2.910 1.00 44.13 H new ATOM 0 HG3 GLU A 88 13.206 8.488 -4.619 1.00 44.13 H new ATOM 1233 N THR A 89 12.202 9.420 -0.271 1.00 61.21 N ATOM 1234 CA THR A 89 12.104 8.378 0.742 1.00 22.15 C ATOM 1235 C THR A 89 11.366 7.156 0.206 1.00 75.35 C ATOM 1236 O THR A 89 10.287 7.275 -0.375 1.00 50.13 O ATOM 1237 CB THR A 89 11.379 8.888 2.004 1.00 41.34 C ATOM 1238 OG1 THR A 89 11.599 10.293 2.160 1.00 14.55 O ATOM 1239 CG2 THR A 89 11.865 8.151 3.243 1.00 55.54 C ATOM 0 H THR A 89 11.346 9.958 -0.406 1.00 61.21 H new ATOM 0 HA THR A 89 13.124 8.097 1.005 1.00 22.15 H new ATOM 0 HB THR A 89 10.312 8.699 1.885 1.00 41.34 H new ATOM 0 HG1 THR A 89 11.580 10.523 3.112 1.00 14.55 H new ATOM 0 HG21 THR A 89 11.339 8.528 4.120 1.00 55.54 H new ATOM 0 HG22 THR A 89 11.668 7.085 3.133 1.00 55.54 H new ATOM 0 HG23 THR A 89 12.936 8.312 3.365 1.00 55.54 H new ATOM 1247 N LYS A 90 11.955 5.981 0.405 1.00 54.34 N ATOM 1248 CA LYS A 90 11.354 4.736 -0.058 1.00 54.31 C ATOM 1249 C LYS A 90 10.757 3.955 1.108 1.00 13.42 C ATOM 1250 O LYS A 90 11.319 3.929 2.204 1.00 60.12 O ATOM 1251 CB LYS A 90 12.397 3.880 -0.779 1.00 10.21 C ATOM 1252 CG LYS A 90 13.235 4.656 -1.779 1.00 54.50 C ATOM 1253 CD LYS A 90 12.789 4.389 -3.208 1.00 22.24 C ATOM 1254 CE LYS A 90 12.965 2.926 -3.581 1.00 60.11 C ATOM 1255 NZ LYS A 90 12.809 2.705 -5.047 1.00 5.25 N ATOM 0 H LYS A 90 12.848 5.865 0.884 1.00 54.34 H new ATOM 0 HA LYS A 90 10.553 4.984 -0.754 1.00 54.31 H new ATOM 0 HB2 LYS A 90 13.057 3.427 -0.039 1.00 10.21 H new ATOM 0 HB3 LYS A 90 11.891 3.065 -1.297 1.00 10.21 H new ATOM 0 HG2 LYS A 90 13.161 5.723 -1.567 1.00 54.50 H new ATOM 0 HG3 LYS A 90 14.284 4.381 -1.667 1.00 54.50 H new ATOM 0 HD2 LYS A 90 11.743 4.672 -3.323 1.00 22.24 H new ATOM 0 HD3 LYS A 90 13.364 5.012 -3.893 1.00 22.24 H new ATOM 0 HE2 LYS A 90 13.952 2.587 -3.265 1.00 60.11 H new ATOM 0 HE3 LYS A 90 12.233 2.323 -3.043 1.00 60.11 H new ATOM 0 HZ1 LYS A 90 12.340 1.792 -5.212 1.00 5.25 H new ATOM 0 HZ2 LYS A 90 12.233 3.469 -5.454 1.00 5.25 H new ATOM 0 HZ3 LYS A 90 13.746 2.700 -5.499 1.00 5.25 H new ATOM 1265 N SER A 91 9.616 3.318 0.865 1.00 13.21 N ATOM 1266 CA SER A 91 8.942 2.536 1.895 1.00 14.04 C ATOM 1267 C SER A 91 8.270 1.307 1.295 1.00 43.15 C ATOM 1268 O SER A 91 7.469 1.416 0.367 1.00 65.23 O ATOM 1269 CB SER A 91 7.904 3.397 2.618 1.00 22.55 C ATOM 1270 OG SER A 91 8.340 4.741 2.728 1.00 41.42 O ATOM 0 H SER A 91 9.139 3.328 -0.036 1.00 13.21 H new ATOM 0 HA SER A 91 9.692 2.202 2.612 1.00 14.04 H new ATOM 0 HB2 SER A 91 6.958 3.362 2.077 1.00 22.55 H new ATOM 0 HB3 SER A 91 7.718 2.990 3.612 1.00 22.55 H new ATOM 0 HG SER A 91 7.668 5.336 2.334 1.00 41.42 H new ATOM 1275 N ASN A 92 8.604 0.137 1.828 1.00 20.44 N ATOM 1276 CA ASN A 92 8.034 -1.115 1.344 1.00 64.32 C ATOM 1277 C ASN A 92 7.397 -1.900 2.486 1.00 63.21 C ATOM 1278 O ASN A 92 8.032 -2.155 3.509 1.00 41.24 O ATOM 1279 CB ASN A 92 9.113 -1.963 0.667 1.00 22.13 C ATOM 1280 CG ASN A 92 8.532 -3.149 -0.079 1.00 53.13 C ATOM 1281 OD1 ASN A 92 8.491 -3.163 -1.308 1.00 72.22 O ATOM 1282 ND2 ASN A 92 8.082 -4.153 0.664 1.00 33.34 N ATOM 0 H ASN A 92 9.267 0.029 2.596 1.00 20.44 H new ATOM 0 HA ASN A 92 7.260 -0.875 0.615 1.00 64.32 H new ATOM 0 HB2 ASN A 92 9.677 -1.341 -0.028 1.00 22.13 H new ATOM 0 HB3 ASN A 92 9.817 -2.320 1.419 1.00 22.13 H new ATOM 0 HD21 ASN A 92 7.682 -4.979 0.218 1.00 33.34 H new ATOM 0 HD22 ASN A 92 8.136 -4.099 1.681 1.00 33.34 H new ATOM 1288 N TYR A 93 6.137 -2.282 2.304 1.00 42.51 N ATOM 1289 CA TYR A 93 5.413 -3.038 3.318 1.00 22.21 C ATOM 1290 C TYR A 93 4.785 -4.292 2.719 1.00 25.24 C ATOM 1291 O TYR A 93 4.019 -4.217 1.758 1.00 65.20 O ATOM 1292 CB TYR A 93 4.330 -2.165 3.958 1.00 41.24 C ATOM 1293 CG TYR A 93 4.799 -1.421 5.186 1.00 12.31 C ATOM 1294 CD1 TYR A 93 5.870 -0.539 5.123 1.00 5.11 C ATOM 1295 CD2 TYR A 93 4.169 -1.600 6.412 1.00 53.02 C ATOM 1296 CE1 TYR A 93 6.303 0.141 6.244 1.00 32.23 C ATOM 1297 CE2 TYR A 93 4.594 -0.922 7.540 1.00 71.45 C ATOM 1298 CZ TYR A 93 5.662 -0.052 7.450 1.00 62.44 C ATOM 1299 OH TYR A 93 6.087 0.626 8.568 1.00 15.31 O ATOM 0 H TYR A 93 5.596 -2.080 1.463 1.00 42.51 H new ATOM 0 HA TYR A 93 6.125 -3.343 4.085 1.00 22.21 H new ATOM 0 HB2 TYR A 93 3.974 -1.445 3.221 1.00 41.24 H new ATOM 0 HB3 TYR A 93 3.481 -2.793 4.227 1.00 41.24 H new ATOM 0 HD1 TYR A 93 6.373 -0.382 4.180 1.00 5.11 H new ATOM 0 HD2 TYR A 93 3.333 -2.280 6.485 1.00 53.02 H new ATOM 0 HE1 TYR A 93 7.140 0.821 6.177 1.00 32.23 H new ATOM 0 HE2 TYR A 93 4.094 -1.072 8.485 1.00 71.45 H new ATOM 0 HH TYR A 93 5.528 0.377 9.334 1.00 15.31 H new ATOM 1308 N ARG A 94 5.112 -5.444 3.295 1.00 74.23 N ATOM 1309 CA ARG A 94 4.581 -6.715 2.819 1.00 53.12 C ATOM 1310 C ARG A 94 3.207 -6.991 3.425 1.00 70.42 C ATOM 1311 O ARG A 94 3.010 -6.854 4.631 1.00 52.22 O ATOM 1312 CB ARG A 94 5.540 -7.855 3.166 1.00 70.14 C ATOM 1313 CG ARG A 94 7.006 -7.486 3.009 1.00 52.30 C ATOM 1314 CD ARG A 94 7.370 -7.254 1.551 1.00 11.13 C ATOM 1315 NE ARG A 94 7.561 -8.508 0.829 1.00 42.33 N ATOM 1316 CZ ARG A 94 8.584 -9.330 1.039 1.00 71.44 C ATOM 1317 NH1 ARG A 94 9.503 -9.030 1.946 1.00 73.41 N ATOM 1318 NH2 ARG A 94 8.689 -10.454 0.341 1.00 23.42 N ATOM 0 H ARG A 94 5.743 -5.523 4.093 1.00 74.23 H new ATOM 0 HA ARG A 94 4.477 -6.654 1.736 1.00 53.12 H new ATOM 0 HB2 ARG A 94 5.361 -8.169 4.194 1.00 70.14 H new ATOM 0 HB3 ARG A 94 5.319 -8.711 2.529 1.00 70.14 H new ATOM 0 HG2 ARG A 94 7.219 -6.586 3.586 1.00 52.30 H new ATOM 0 HG3 ARG A 94 7.628 -8.282 3.418 1.00 52.30 H new ATOM 0 HD2 ARG A 94 6.583 -6.674 1.069 1.00 11.13 H new ATOM 0 HD3 ARG A 94 8.283 -6.661 1.495 1.00 11.13 H new ATOM 0 HE ARG A 94 6.871 -8.768 0.124 1.00 42.33 H new ATOM 0 HH11 ARG A 94 9.426 -8.167 2.484 1.00 73.41 H new ATOM 0 HH12 ARG A 94 10.287 -9.662 2.106 1.00 73.41 H new ATOM 0 HH21 ARG A 94 7.984 -10.688 -0.358 1.00 23.42 H new ATOM 0 HH22 ARG A 94 9.475 -11.084 0.503 1.00 23.42 H new ATOM 1329 N VAL A 95 2.261 -7.378 2.576 1.00 62.31 N ATOM 1330 CA VAL A 95 0.905 -7.673 3.025 1.00 4.42 C ATOM 1331 C VAL A 95 0.516 -9.109 2.691 1.00 72.14 C ATOM 1332 O VAL A 95 0.748 -9.583 1.578 1.00 10.23 O ATOM 1333 CB VAL A 95 -0.119 -6.714 2.392 1.00 63.11 C ATOM 1334 CG1 VAL A 95 -1.537 -7.135 2.747 1.00 30.24 C ATOM 1335 CG2 VAL A 95 0.149 -5.283 2.832 1.00 44.21 C ATOM 0 H VAL A 95 2.408 -7.495 1.573 1.00 62.31 H new ATOM 0 HA VAL A 95 0.894 -7.539 4.107 1.00 4.42 H new ATOM 0 HB VAL A 95 -0.014 -6.762 1.308 1.00 63.11 H new ATOM 0 HG11 VAL A 95 -2.247 -6.445 2.290 1.00 30.24 H new ATOM 0 HG12 VAL A 95 -1.721 -8.143 2.376 1.00 30.24 H new ATOM 0 HG13 VAL A 95 -1.661 -7.119 3.830 1.00 30.24 H new ATOM 0 HG21 VAL A 95 -0.584 -4.618 2.375 1.00 44.21 H new ATOM 0 HG22 VAL A 95 0.073 -5.216 3.917 1.00 44.21 H new ATOM 0 HG23 VAL A 95 1.151 -4.988 2.519 1.00 44.21 H new ATOM 1345 N ARG A 96 -0.079 -9.797 3.660 1.00 32.12 N ATOM 1346 CA ARG A 96 -0.501 -11.179 3.469 1.00 63.13 C ATOM 1347 C ARG A 96 -1.935 -11.381 3.949 1.00 54.30 C ATOM 1348 O ARG A 96 -2.279 -11.026 5.076 1.00 40.13 O ATOM 1349 CB ARG A 96 0.438 -12.129 4.216 1.00 22.34 C ATOM 1350 CG ARG A 96 1.609 -12.613 3.377 1.00 3.22 C ATOM 1351 CD ARG A 96 1.304 -13.945 2.711 1.00 44.23 C ATOM 1352 NE ARG A 96 1.476 -15.069 3.629 1.00 34.30 N ATOM 1353 CZ ARG A 96 1.709 -16.315 3.231 1.00 34.10 C ATOM 1354 NH1 ARG A 96 1.797 -16.595 1.937 1.00 14.45 N ATOM 1355 NH2 ARG A 96 1.855 -17.282 4.126 1.00 22.45 N ATOM 0 H ARG A 96 -0.280 -9.419 4.586 1.00 32.12 H new ATOM 0 HA ARG A 96 -0.459 -11.402 2.403 1.00 63.13 H new ATOM 0 HB2 ARG A 96 0.822 -11.624 5.103 1.00 22.34 H new ATOM 0 HB3 ARG A 96 -0.131 -12.992 4.562 1.00 22.34 H new ATOM 0 HG2 ARG A 96 1.844 -11.870 2.615 1.00 3.22 H new ATOM 0 HG3 ARG A 96 2.492 -12.714 4.007 1.00 3.22 H new ATOM 0 HD2 ARG A 96 0.281 -13.937 2.336 1.00 44.23 H new ATOM 0 HD3 ARG A 96 1.958 -14.078 1.849 1.00 44.23 H new ATOM 0 HE ARG A 96 1.414 -14.887 4.631 1.00 34.30 H new ATOM 0 HH11 ARG A 96 1.686 -15.853 1.246 1.00 14.45 H new ATOM 0 HH12 ARG A 96 1.976 -17.552 1.633 1.00 14.45 H new ATOM 0 HH21 ARG A 96 1.788 -17.070 5.121 1.00 22.45 H new ATOM 0 HH22 ARG A 96 2.034 -18.238 3.819 1.00 22.45 H new ATOM 1366 N VAL A 97 -2.768 -11.955 3.085 1.00 33.31 N ATOM 1367 CA VAL A 97 -4.164 -12.206 3.421 1.00 55.12 C ATOM 1368 C VAL A 97 -4.349 -13.607 3.991 1.00 71.44 C ATOM 1369 O VAL A 97 -3.382 -14.342 4.186 1.00 71.32 O ATOM 1370 CB VAL A 97 -5.076 -12.038 2.191 1.00 51.50 C ATOM 1371 CG1 VAL A 97 -4.842 -10.686 1.533 1.00 33.10 C ATOM 1372 CG2 VAL A 97 -4.845 -13.168 1.201 1.00 41.45 C ATOM 0 H VAL A 97 -2.499 -12.254 2.148 1.00 33.31 H new ATOM 0 HA VAL A 97 -4.445 -11.471 4.175 1.00 55.12 H new ATOM 0 HB VAL A 97 -6.114 -12.080 2.521 1.00 51.50 H new ATOM 0 HG11 VAL A 97 -5.495 -10.585 0.666 1.00 33.10 H new ATOM 0 HG12 VAL A 97 -5.061 -9.891 2.246 1.00 33.10 H new ATOM 0 HG13 VAL A 97 -3.802 -10.611 1.215 1.00 33.10 H new ATOM 0 HG21 VAL A 97 -5.497 -13.034 0.338 1.00 41.45 H new ATOM 0 HG22 VAL A 97 -3.805 -13.159 0.875 1.00 41.45 H new ATOM 0 HG23 VAL A 97 -5.067 -14.122 1.679 1.00 41.45 H new ATOM 1382 N TYR A 98 -5.601 -13.972 4.255 1.00 15.20 N ATOM 1383 CA TYR A 98 -5.912 -15.285 4.804 1.00 24.03 C ATOM 1384 C TYR A 98 -5.599 -16.386 3.796 1.00 75.14 C ATOM 1385 O TYR A 98 -4.651 -17.150 3.971 1.00 53.34 O ATOM 1386 CB TYR A 98 -7.386 -15.354 5.210 1.00 63.12 C ATOM 1387 CG TYR A 98 -7.647 -16.263 6.389 1.00 64.41 C ATOM 1388 CD1 TYR A 98 -7.000 -17.486 6.504 1.00 2.44 C ATOM 1389 CD2 TYR A 98 -8.543 -15.898 7.387 1.00 50.43 C ATOM 1390 CE1 TYR A 98 -7.237 -18.320 7.581 1.00 50.51 C ATOM 1391 CE2 TYR A 98 -8.786 -16.726 8.467 1.00 54.45 C ATOM 1392 CZ TYR A 98 -8.130 -17.937 8.559 1.00 54.35 C ATOM 1393 OH TYR A 98 -8.368 -18.765 9.631 1.00 12.21 O ATOM 0 H TYR A 98 -6.414 -13.377 4.097 1.00 15.20 H new ATOM 0 HA TYR A 98 -5.290 -15.438 5.686 1.00 24.03 H new ATOM 0 HB2 TYR A 98 -7.735 -14.350 5.452 1.00 63.12 H new ATOM 0 HB3 TYR A 98 -7.973 -15.699 4.359 1.00 63.12 H new ATOM 0 HD1 TYR A 98 -6.300 -17.791 5.740 1.00 2.44 H new ATOM 0 HD2 TYR A 98 -9.058 -14.951 7.317 1.00 50.43 H new ATOM 0 HE1 TYR A 98 -6.725 -19.268 7.656 1.00 50.51 H new ATOM 0 HE2 TYR A 98 -9.485 -16.427 9.234 1.00 54.45 H new ATOM 0 HH TYR A 98 -9.022 -18.346 10.229 1.00 12.21 H new ATOM 1402 N GLN A 99 -6.404 -16.459 2.741 1.00 53.11 N ATOM 1403 CA GLN A 99 -6.214 -17.465 1.703 1.00 12.22 C ATOM 1404 C GLN A 99 -4.974 -17.159 0.868 1.00 61.33 C ATOM 1405 O GLN A 99 -4.703 -16.003 0.544 1.00 11.41 O ATOM 1406 CB GLN A 99 -7.446 -17.538 0.800 1.00 1.40 C ATOM 1407 CG GLN A 99 -8.418 -18.643 1.185 1.00 51.23 C ATOM 1408 CD GLN A 99 -8.773 -18.620 2.658 1.00 2.21 C ATOM 1409 OE1 GLN A 99 -7.972 -19.297 3.471 1.00 3.25 O flip ATOM 1410 NE2 GLN A 99 -9.758 -18.000 3.061 1.00 5.33 N flip ATOM 0 H GLN A 99 -7.194 -15.833 2.583 1.00 53.11 H new ATOM 0 HA GLN A 99 -6.073 -18.430 2.190 1.00 12.22 H new ATOM 0 HB2 GLN A 99 -7.966 -16.581 0.831 1.00 1.40 H new ATOM 0 HB3 GLN A 99 -7.123 -17.692 -0.230 1.00 1.40 H new ATOM 0 HG2 GLN A 99 -9.328 -18.543 0.594 1.00 51.23 H new ATOM 0 HG3 GLN A 99 -7.981 -19.610 0.936 1.00 51.23 H new ATOM 0 HE21 GLN A 99 -10.347 -17.493 2.400 1.00 5.33 H new ATOM 0 HE22 GLN A 99 -9.985 -17.994 4.055 1.00 5.33 H new ATOM 1417 N ILE A 100 -4.227 -18.202 0.524 1.00 71.14 N ATOM 1418 CA ILE A 100 -3.017 -18.045 -0.273 1.00 74.13 C ATOM 1419 C ILE A 100 -3.100 -18.852 -1.565 1.00 1.32 C ATOM 1420 O ILE A 100 -3.882 -19.795 -1.686 1.00 62.43 O ATOM 1421 CB ILE A 100 -1.765 -18.477 0.510 1.00 21.13 C ATOM 1422 CG1 ILE A 100 -2.128 -19.543 1.546 1.00 44.12 C ATOM 1423 CG2 ILE A 100 -1.120 -17.275 1.184 1.00 21.15 C ATOM 1424 CD1 ILE A 100 -0.926 -20.149 2.238 1.00 34.23 C ATOM 0 H ILE A 100 -4.438 -19.165 0.785 1.00 71.14 H new ATOM 0 HA ILE A 100 -2.935 -16.985 -0.514 1.00 74.13 H new ATOM 0 HB ILE A 100 -1.047 -18.905 -0.190 1.00 21.13 H new ATOM 0 HG12 ILE A 100 -2.784 -19.101 2.296 1.00 44.12 H new ATOM 0 HG13 ILE A 100 -2.693 -20.336 1.056 1.00 44.12 H new ATOM 0 HG21 ILE A 100 -0.236 -17.597 1.734 1.00 21.15 H new ATOM 0 HG22 ILE A 100 -0.831 -16.545 0.428 1.00 21.15 H new ATOM 0 HG23 ILE A 100 -1.831 -16.820 1.874 1.00 21.15 H new ATOM 0 HD11 ILE A 100 -1.259 -20.896 2.958 1.00 34.23 H new ATOM 0 HD12 ILE A 100 -0.280 -20.621 1.498 1.00 34.23 H new ATOM 0 HD13 ILE A 100 -0.372 -19.367 2.757 1.00 34.23 H new ATOM 1435 N PRO A 101 -2.271 -18.480 -2.550 1.00 32.40 N ATOM 1436 CA PRO A 101 -2.230 -19.158 -3.850 1.00 11.14 C ATOM 1437 C PRO A 101 -1.638 -20.561 -3.751 1.00 71.40 C ATOM 1438 O PRO A 101 -0.425 -20.727 -3.646 1.00 41.51 O ATOM 1439 CB PRO A 101 -1.327 -18.255 -4.692 1.00 53.40 C ATOM 1440 CG PRO A 101 -0.465 -17.550 -3.703 1.00 55.32 C ATOM 1441 CD PRO A 101 -1.311 -17.365 -2.474 1.00 0.41 C ATOM 0 HA PRO A 101 -3.226 -19.298 -4.270 1.00 11.14 H new ATOM 0 HB2 PRO A 101 -0.729 -18.837 -5.394 1.00 53.40 H new ATOM 0 HB3 PRO A 101 -1.912 -17.549 -5.281 1.00 53.40 H new ATOM 0 HG2 PRO A 101 0.428 -18.133 -3.478 1.00 55.32 H new ATOM 0 HG3 PRO A 101 -0.128 -16.590 -4.093 1.00 55.32 H new ATOM 0 HD2 PRO A 101 -0.713 -17.411 -1.564 1.00 0.41 H new ATOM 0 HD3 PRO A 101 -1.816 -16.399 -2.475 1.00 0.41 H new