USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 83 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 1.2: A 89 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.5) USER MOD Single : A 2 SER OG : rot -31:sc= 0.014 USER MOD Single : A 4 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.18) USER MOD Single : A 5 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.85) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.89) USER MOD Single : A 35 THR OG1 : rot 120:sc= 0.36 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 61 ASN : amide:sc= -2.4 K(o=-2.4,f=-13!) USER MOD Single : A 63 SER OG : rot 10:sc= -0.269 USER MOD Single : A 72 GLN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 82 MET CE :methyl -154:sc= -0.136 (180deg=-0.652) USER MOD Single : A 85 ASN : amide:sc= -0.592 K(o=-0.59,f=0.023) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0.1 (180deg=0.099) USER MOD Single : A 91 SER OG : rot 113:sc= -1.05 USER MOD Single : A 92 ASN : amide:sc= -6.97! C(o=-7!,f=-4.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.637 K(o=-0.64,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.148 -0.973 -1.561 1.00 45.44 N ATOM 9 CA SER A 2 4.392 -2.085 -0.649 1.00 4.24 C ATOM 10 C SER A 2 3.894 -3.397 -1.249 1.00 64.34 C ATOM 11 O SER A 2 2.908 -3.421 -1.985 1.00 33.22 O ATOM 12 CB SER A 2 3.706 -1.832 0.694 1.00 74.25 C ATOM 13 OG SER A 2 2.297 -1.803 0.550 1.00 1.13 O ATOM 0 HA SER A 2 5.467 -2.163 -0.489 1.00 4.24 H new ATOM 0 HB2 SER A 2 3.986 -2.612 1.402 1.00 74.25 H new ATOM 0 HB3 SER A 2 4.052 -0.886 1.110 1.00 74.25 H new ATOM 0 HG SER A 2 2.066 -1.454 -0.336 1.00 1.13 H new ATOM 19 N ALA A 3 4.583 -4.486 -0.926 1.00 21.43 N ATOM 20 CA ALA A 3 4.211 -5.803 -1.430 1.00 73.10 C ATOM 21 C ALA A 3 2.785 -6.161 -1.027 1.00 71.15 C ATOM 22 O ALA A 3 2.545 -6.637 0.083 1.00 32.44 O ATOM 23 CB ALA A 3 5.185 -6.856 -0.923 1.00 22.03 C ATOM 0 H ALA A 3 5.402 -4.483 -0.318 1.00 21.43 H new ATOM 0 HA ALA A 3 4.257 -5.775 -2.519 1.00 73.10 H new ATOM 0 HB1 ALA A 3 4.895 -7.834 -1.307 1.00 22.03 H new ATOM 0 HB2 ALA A 3 6.192 -6.615 -1.265 1.00 22.03 H new ATOM 0 HB3 ALA A 3 5.167 -6.874 0.167 1.00 22.03 H new ATOM 29 N GLN A 4 1.843 -5.929 -1.935 1.00 1.41 N ATOM 30 CA GLN A 4 0.439 -6.227 -1.672 1.00 12.43 C ATOM 31 C GLN A 4 0.079 -7.626 -2.161 1.00 1.42 C ATOM 32 O GLN A 4 0.429 -8.014 -3.275 1.00 72.22 O ATOM 33 CB GLN A 4 -0.459 -5.191 -2.349 1.00 1.51 C ATOM 34 CG GLN A 4 -1.320 -4.402 -1.375 1.00 20.32 C ATOM 35 CD GLN A 4 -2.140 -5.296 -0.466 1.00 4.34 C ATOM 36 OE1 GLN A 4 -2.215 -5.071 0.742 1.00 42.54 O ATOM 37 NE2 GLN A 4 -2.762 -6.317 -1.044 1.00 74.34 N ATOM 0 H GLN A 4 2.025 -5.536 -2.858 1.00 1.41 H new ATOM 0 HA GLN A 4 0.280 -6.186 -0.594 1.00 12.43 H new ATOM 0 HB2 GLN A 4 0.163 -4.498 -2.915 1.00 1.51 H new ATOM 0 HB3 GLN A 4 -1.106 -5.696 -3.066 1.00 1.51 H new ATOM 0 HG2 GLN A 4 -0.681 -3.761 -0.768 1.00 20.32 H new ATOM 0 HG3 GLN A 4 -1.989 -3.748 -1.934 1.00 20.32 H new ATOM 0 HE21 GLN A 4 -2.672 -6.466 -2.049 1.00 74.34 H new ATOM 0 HE22 GLN A 4 -3.330 -6.952 -0.483 1.00 74.34 H new ATOM 46 N ASN A 5 -0.622 -8.378 -1.320 1.00 62.32 N ATOM 47 CA ASN A 5 -1.029 -9.736 -1.666 1.00 51.44 C ATOM 48 C ASN A 5 -2.322 -9.726 -2.476 1.00 43.35 C ATOM 49 O ASN A 5 -3.357 -9.253 -2.006 1.00 12.11 O ATOM 50 CB ASN A 5 -1.214 -10.574 -0.400 1.00 41.43 C ATOM 51 CG ASN A 5 -2.036 -9.856 0.654 1.00 21.03 C ATOM 52 OD1 ASN A 5 -3.265 -9.840 0.594 1.00 50.32 O ATOM 53 ND2 ASN A 5 -1.358 -9.257 1.626 1.00 2.22 N ATOM 0 H ASN A 5 -0.920 -8.071 -0.394 1.00 62.32 H new ATOM 0 HA ASN A 5 -0.242 -10.180 -2.275 1.00 51.44 H new ATOM 0 HB2 ASN A 5 -1.701 -11.515 -0.658 1.00 41.43 H new ATOM 0 HB3 ASN A 5 -0.237 -10.824 0.013 1.00 41.43 H new ATOM 0 HD21 ASN A 5 -1.856 -8.758 2.363 1.00 2.22 H new ATOM 0 HD22 ASN A 5 -0.339 -9.296 1.636 1.00 2.22 H new ATOM 60 N ILE A 6 -2.254 -10.252 -3.694 1.00 23.00 N ATOM 61 CA ILE A 6 -3.419 -10.305 -4.569 1.00 62.11 C ATOM 62 C ILE A 6 -3.665 -11.724 -5.070 1.00 1.41 C ATOM 63 O ILE A 6 -2.789 -12.341 -5.676 1.00 35.42 O ATOM 64 CB ILE A 6 -3.259 -9.365 -5.778 1.00 5.32 C ATOM 65 CG1 ILE A 6 -3.276 -7.905 -5.322 1.00 11.33 C ATOM 66 CG2 ILE A 6 -4.360 -9.620 -6.796 1.00 3.14 C ATOM 67 CD1 ILE A 6 -1.941 -7.419 -4.802 1.00 12.34 C ATOM 0 H ILE A 6 -1.405 -10.648 -4.098 1.00 23.00 H new ATOM 0 HA ILE A 6 -4.274 -9.978 -3.977 1.00 62.11 H new ATOM 0 HB ILE A 6 -2.298 -9.567 -6.252 1.00 5.32 H new ATOM 0 HG12 ILE A 6 -3.582 -7.275 -6.157 1.00 11.33 H new ATOM 0 HG13 ILE A 6 -4.027 -7.785 -4.541 1.00 11.33 H new ATOM 0 HG21 ILE A 6 -4.233 -8.948 -7.645 1.00 3.14 H new ATOM 0 HG22 ILE A 6 -4.306 -10.653 -7.140 1.00 3.14 H new ATOM 0 HG23 ILE A 6 -5.331 -9.442 -6.334 1.00 3.14 H new ATOM 0 HD11 ILE A 6 -2.027 -6.376 -4.497 1.00 12.34 H new ATOM 0 HD12 ILE A 6 -1.642 -8.024 -3.946 1.00 12.34 H new ATOM 0 HD13 ILE A 6 -1.191 -7.506 -5.588 1.00 12.34 H new ATOM 79 N THR A 7 -4.866 -12.236 -4.817 1.00 20.41 N ATOM 80 CA THR A 7 -5.229 -13.582 -5.243 1.00 10.31 C ATOM 81 C THR A 7 -5.953 -13.557 -6.584 1.00 4.34 C ATOM 82 O THR A 7 -6.770 -12.674 -6.843 1.00 71.00 O ATOM 83 CB THR A 7 -6.124 -14.278 -4.201 1.00 23.25 C ATOM 84 OG1 THR A 7 -7.129 -13.372 -3.734 1.00 33.12 O ATOM 85 CG2 THR A 7 -5.299 -14.778 -3.026 1.00 61.30 C ATOM 0 H THR A 7 -5.604 -11.738 -4.319 1.00 20.41 H new ATOM 0 HA THR A 7 -4.300 -14.143 -5.346 1.00 10.31 H new ATOM 0 HB THR A 7 -6.601 -15.133 -4.679 1.00 23.25 H new ATOM 0 HG1 THR A 7 -7.695 -13.823 -3.073 1.00 33.12 H new ATOM 0 HG21 THR A 7 -5.953 -15.266 -2.303 1.00 61.30 H new ATOM 0 HG22 THR A 7 -4.555 -15.491 -3.381 1.00 61.30 H new ATOM 0 HG23 THR A 7 -4.796 -13.936 -2.550 1.00 61.30 H new ATOM 93 N ALA A 8 -5.649 -14.533 -7.433 1.00 32.05 N ATOM 94 CA ALA A 8 -6.274 -14.624 -8.747 1.00 33.34 C ATOM 95 C ALA A 8 -6.402 -16.076 -9.195 1.00 70.52 C ATOM 96 O ALA A 8 -5.805 -16.974 -8.600 1.00 51.44 O ATOM 97 CB ALA A 8 -5.477 -13.823 -9.768 1.00 73.45 C ATOM 0 H ALA A 8 -4.974 -15.272 -7.235 1.00 32.05 H new ATOM 0 HA ALA A 8 -7.277 -14.204 -8.674 1.00 33.34 H new ATOM 0 HB1 ALA A 8 -5.955 -13.900 -10.744 1.00 73.45 H new ATOM 0 HB2 ALA A 8 -5.442 -12.777 -9.463 1.00 73.45 H new ATOM 0 HB3 ALA A 8 -4.463 -14.218 -9.829 1.00 73.45 H new ATOM 103 N ARG A 9 -7.184 -16.300 -10.245 1.00 32.40 N ATOM 104 CA ARG A 9 -7.391 -17.644 -10.771 1.00 63.04 C ATOM 105 C ARG A 9 -7.029 -17.711 -12.251 1.00 13.04 C ATOM 106 O ARG A 9 -7.183 -16.732 -12.983 1.00 62.51 O ATOM 107 CB ARG A 9 -8.846 -18.074 -10.571 1.00 55.52 C ATOM 108 CG ARG A 9 -9.054 -18.982 -9.370 1.00 34.22 C ATOM 109 CD ARG A 9 -9.598 -18.213 -8.177 1.00 31.24 C ATOM 110 NE ARG A 9 -10.306 -19.082 -7.242 1.00 64.22 N ATOM 111 CZ ARG A 9 -11.065 -18.632 -6.248 1.00 13.23 C ATOM 112 NH1 ARG A 9 -11.211 -17.327 -6.063 1.00 55.55 N ATOM 113 NH2 ARG A 9 -11.678 -19.486 -5.440 1.00 52.42 N ATOM 0 H ARG A 9 -7.685 -15.568 -10.749 1.00 32.40 H new ATOM 0 HA ARG A 9 -6.739 -18.325 -10.224 1.00 63.04 H new ATOM 0 HB2 ARG A 9 -9.466 -17.185 -10.455 1.00 55.52 H new ATOM 0 HB3 ARG A 9 -9.191 -18.588 -11.468 1.00 55.52 H new ATOM 0 HG2 ARG A 9 -9.745 -19.783 -9.634 1.00 34.22 H new ATOM 0 HG3 ARG A 9 -8.108 -19.453 -9.100 1.00 34.22 H new ATOM 0 HD2 ARG A 9 -8.776 -17.718 -7.660 1.00 31.24 H new ATOM 0 HD3 ARG A 9 -10.272 -17.431 -8.527 1.00 31.24 H new ATOM 0 HE ARG A 9 -10.213 -20.091 -7.358 1.00 64.22 H new ATOM 0 HH11 ARG A 9 -10.741 -16.668 -6.684 1.00 55.55 H new ATOM 0 HH12 ARG A 9 -11.794 -16.982 -5.300 1.00 55.55 H new ATOM 0 HH21 ARG A 9 -11.567 -20.490 -5.581 1.00 52.42 H new ATOM 0 HH22 ARG A 9 -12.260 -19.139 -4.678 1.00 52.42 H new ATOM 127 N ILE A 10 -6.547 -18.871 -12.685 1.00 15.24 N ATOM 128 CA ILE A 10 -6.163 -19.065 -14.078 1.00 75.23 C ATOM 129 C ILE A 10 -7.305 -18.698 -15.019 1.00 25.31 C ATOM 130 O ILE A 10 -8.396 -19.262 -14.937 1.00 25.12 O ATOM 131 CB ILE A 10 -5.737 -20.521 -14.347 1.00 51.41 C ATOM 132 CG1 ILE A 10 -4.526 -20.888 -13.487 1.00 3.23 C ATOM 133 CG2 ILE A 10 -5.426 -20.717 -15.823 1.00 12.34 C ATOM 134 CD1 ILE A 10 -4.437 -22.364 -13.168 1.00 41.13 C ATOM 0 H ILE A 10 -6.413 -19.690 -12.092 1.00 15.24 H new ATOM 0 HA ILE A 10 -5.315 -18.407 -14.267 1.00 75.23 H new ATOM 0 HB ILE A 10 -6.562 -21.182 -14.079 1.00 51.41 H new ATOM 0 HG12 ILE A 10 -3.617 -20.581 -14.004 1.00 3.23 H new ATOM 0 HG13 ILE A 10 -4.568 -20.325 -12.555 1.00 3.23 H new ATOM 0 HG21 ILE A 10 -5.126 -21.750 -15.998 1.00 12.34 H new ATOM 0 HG22 ILE A 10 -6.313 -20.491 -16.415 1.00 12.34 H new ATOM 0 HG23 ILE A 10 -4.615 -20.050 -16.116 1.00 12.34 H new ATOM 0 HD11 ILE A 10 -3.555 -22.551 -12.556 1.00 41.13 H new ATOM 0 HD12 ILE A 10 -5.329 -22.673 -12.623 1.00 41.13 H new ATOM 0 HD13 ILE A 10 -4.363 -22.933 -14.095 1.00 41.13 H new ATOM 146 N GLY A 11 -7.047 -17.751 -15.915 1.00 41.33 N ATOM 147 CA GLY A 11 -8.063 -17.327 -16.861 1.00 53.03 C ATOM 148 C GLY A 11 -8.940 -16.219 -16.311 1.00 31.41 C ATOM 149 O GLY A 11 -9.897 -15.798 -16.960 1.00 12.13 O ATOM 0 H GLY A 11 -6.152 -17.269 -16.003 1.00 41.33 H new ATOM 0 HA2 GLY A 11 -7.582 -16.985 -17.777 1.00 53.03 H new ATOM 0 HA3 GLY A 11 -8.686 -18.181 -17.128 1.00 53.03 H new ATOM 153 N GLU A 12 -8.614 -15.748 -15.112 1.00 75.11 N ATOM 154 CA GLU A 12 -9.382 -14.685 -14.475 1.00 40.11 C ATOM 155 C GLU A 12 -8.674 -13.340 -14.621 1.00 62.24 C ATOM 156 O GLU A 12 -7.452 -13.240 -14.515 1.00 2.55 O ATOM 157 CB GLU A 12 -9.602 -15.000 -12.995 1.00 74.54 C ATOM 158 CG GLU A 12 -10.339 -16.306 -12.752 1.00 20.45 C ATOM 159 CD GLU A 12 -11.509 -16.499 -13.698 1.00 42.13 C ATOM 160 OE1 GLU A 12 -12.570 -15.884 -13.463 1.00 74.20 O ATOM 161 OE2 GLU A 12 -11.363 -17.265 -14.674 1.00 71.33 O ATOM 0 H GLU A 12 -7.824 -16.085 -14.562 1.00 75.11 H new ATOM 0 HA GLU A 12 -10.350 -14.623 -14.973 1.00 40.11 H new ATOM 0 HB2 GLU A 12 -8.635 -15.040 -12.493 1.00 74.54 H new ATOM 0 HB3 GLU A 12 -10.164 -14.185 -12.539 1.00 74.54 H new ATOM 0 HG2 GLU A 12 -9.644 -17.138 -12.865 1.00 20.45 H new ATOM 0 HG3 GLU A 12 -10.700 -16.330 -11.724 1.00 20.45 H new ATOM 168 N PRO A 13 -9.460 -12.283 -14.870 1.00 12.11 N ATOM 169 CA PRO A 13 -8.932 -10.926 -15.036 1.00 51.42 C ATOM 170 C PRO A 13 -8.400 -10.347 -13.729 1.00 53.24 C ATOM 171 O PRO A 13 -8.971 -10.570 -12.661 1.00 5.11 O ATOM 172 CB PRO A 13 -10.146 -10.129 -15.519 1.00 55.23 C ATOM 173 CG PRO A 13 -11.324 -10.879 -14.999 1.00 35.21 C ATOM 174 CD PRO A 13 -10.926 -12.330 -15.008 1.00 12.32 C ATOM 0 HA PRO A 13 -8.087 -10.899 -15.724 1.00 51.42 H new ATOM 0 HB2 PRO A 13 -10.127 -9.108 -15.137 1.00 55.23 H new ATOM 0 HB3 PRO A 13 -10.168 -10.062 -16.607 1.00 55.23 H new ATOM 0 HG2 PRO A 13 -11.582 -10.551 -13.992 1.00 35.21 H new ATOM 0 HG3 PRO A 13 -12.201 -10.711 -15.624 1.00 35.21 H new ATOM 0 HD2 PRO A 13 -11.389 -12.879 -14.188 1.00 12.32 H new ATOM 0 HD3 PRO A 13 -11.227 -12.823 -15.932 1.00 12.32 H new ATOM 182 N LEU A 14 -7.304 -9.602 -13.820 1.00 15.12 N ATOM 183 CA LEU A 14 -6.694 -8.990 -12.644 1.00 44.11 C ATOM 184 C LEU A 14 -6.110 -7.623 -12.983 1.00 72.24 C ATOM 185 O LEU A 14 -5.547 -7.426 -14.060 1.00 62.11 O ATOM 186 CB LEU A 14 -5.601 -9.899 -12.080 1.00 64.42 C ATOM 187 CG LEU A 14 -5.078 -9.536 -10.690 1.00 72.32 C ATOM 188 CD1 LEU A 14 -6.182 -9.667 -9.652 1.00 13.55 C ATOM 189 CD2 LEU A 14 -3.891 -10.415 -10.321 1.00 13.42 C ATOM 0 H LEU A 14 -6.819 -9.407 -14.696 1.00 15.12 H new ATOM 0 HA LEU A 14 -7.470 -8.856 -11.891 1.00 44.11 H new ATOM 0 HB2 LEU A 14 -5.985 -10.918 -12.047 1.00 64.42 H new ATOM 0 HB3 LEU A 14 -4.761 -9.897 -12.774 1.00 64.42 H new ATOM 0 HG LEU A 14 -4.746 -8.498 -10.708 1.00 72.32 H new ATOM 0 HD11 LEU A 14 -5.790 -9.405 -8.669 1.00 13.55 H new ATOM 0 HD12 LEU A 14 -7.002 -8.996 -9.907 1.00 13.55 H new ATOM 0 HD13 LEU A 14 -6.545 -10.694 -9.635 1.00 13.55 H new ATOM 0 HD21 LEU A 14 -3.531 -10.143 -9.329 1.00 13.42 H new ATOM 0 HD22 LEU A 14 -4.199 -11.461 -10.321 1.00 13.42 H new ATOM 0 HD23 LEU A 14 -3.092 -10.272 -11.048 1.00 13.42 H new ATOM 201 N VAL A 15 -6.244 -6.681 -12.055 1.00 35.52 N ATOM 202 CA VAL A 15 -5.725 -5.332 -12.254 1.00 62.35 C ATOM 203 C VAL A 15 -4.758 -4.946 -11.141 1.00 62.14 C ATOM 204 O VAL A 15 -4.906 -5.378 -9.996 1.00 43.44 O ATOM 205 CB VAL A 15 -6.864 -4.296 -12.311 1.00 30.52 C ATOM 206 CG1 VAL A 15 -6.314 -2.914 -12.627 1.00 74.11 C ATOM 207 CG2 VAL A 15 -7.909 -4.711 -13.338 1.00 14.34 C ATOM 0 H VAL A 15 -6.707 -6.827 -11.158 1.00 35.52 H new ATOM 0 HA VAL A 15 -5.196 -5.333 -13.207 1.00 62.35 H new ATOM 0 HB VAL A 15 -7.344 -4.254 -11.333 1.00 30.52 H new ATOM 0 HG11 VAL A 15 -7.133 -2.196 -12.663 1.00 74.11 H new ATOM 0 HG12 VAL A 15 -5.606 -2.618 -11.853 1.00 74.11 H new ATOM 0 HG13 VAL A 15 -5.808 -2.936 -13.592 1.00 74.11 H new ATOM 0 HG21 VAL A 15 -8.707 -3.969 -13.366 1.00 14.34 H new ATOM 0 HG22 VAL A 15 -7.445 -4.782 -14.322 1.00 14.34 H new ATOM 0 HG23 VAL A 15 -8.325 -5.680 -13.063 1.00 14.34 H new ATOM 217 N LEU A 16 -3.768 -4.130 -11.482 1.00 13.11 N ATOM 218 CA LEU A 16 -2.775 -3.683 -10.512 1.00 53.24 C ATOM 219 C LEU A 16 -2.584 -2.172 -10.583 1.00 44.43 C ATOM 220 O LEU A 16 -2.724 -1.566 -11.645 1.00 31.34 O ATOM 221 CB LEU A 16 -1.439 -4.388 -10.757 1.00 4.10 C ATOM 222 CG LEU A 16 -1.431 -5.903 -10.545 1.00 5.41 C ATOM 223 CD1 LEU A 16 -0.064 -6.480 -10.873 1.00 13.14 C ATOM 224 CD2 LEU A 16 -1.828 -6.243 -9.116 1.00 72.52 C ATOM 0 H LEU A 16 -3.631 -3.764 -12.424 1.00 13.11 H new ATOM 0 HA LEU A 16 -3.137 -3.939 -9.516 1.00 53.24 H new ATOM 0 HB2 LEU A 16 -1.125 -4.183 -11.780 1.00 4.10 H new ATOM 0 HB3 LEU A 16 -0.691 -3.945 -10.099 1.00 4.10 H new ATOM 0 HG LEU A 16 -2.162 -6.350 -11.219 1.00 5.41 H new ATOM 0 HD11 LEU A 16 -0.077 -7.559 -10.716 1.00 13.14 H new ATOM 0 HD12 LEU A 16 0.180 -6.267 -11.914 1.00 13.14 H new ATOM 0 HD13 LEU A 16 0.687 -6.028 -10.224 1.00 13.14 H new ATOM 0 HD21 LEU A 16 -1.817 -7.325 -8.983 1.00 72.52 H new ATOM 0 HD22 LEU A 16 -1.122 -5.785 -8.423 1.00 72.52 H new ATOM 0 HD23 LEU A 16 -2.830 -5.863 -8.917 1.00 72.52 H new ATOM 236 N LYS A 17 -2.265 -1.566 -9.443 1.00 4.13 N ATOM 237 CA LYS A 17 -2.052 -0.126 -9.375 1.00 4.21 C ATOM 238 C LYS A 17 -0.582 0.196 -9.129 1.00 13.35 C ATOM 239 O LYS A 17 0.131 -0.568 -8.479 1.00 31.21 O ATOM 240 CB LYS A 17 -2.911 0.486 -8.266 1.00 5.04 C ATOM 241 CG LYS A 17 -2.732 1.987 -8.117 1.00 72.45 C ATOM 242 CD LYS A 17 -3.925 2.624 -7.424 1.00 53.34 C ATOM 243 CE LYS A 17 -5.125 2.716 -8.354 1.00 64.21 C ATOM 244 NZ LYS A 17 -6.090 3.761 -7.913 1.00 3.12 N ATOM 0 H LYS A 17 -2.149 -2.051 -8.554 1.00 4.13 H new ATOM 0 HA LYS A 17 -2.345 0.304 -10.333 1.00 4.21 H new ATOM 0 HB2 LYS A 17 -3.960 0.272 -8.471 1.00 5.04 H new ATOM 0 HB3 LYS A 17 -2.666 0.004 -7.320 1.00 5.04 H new ATOM 0 HG2 LYS A 17 -1.826 2.192 -7.546 1.00 72.45 H new ATOM 0 HG3 LYS A 17 -2.598 2.438 -9.100 1.00 72.45 H new ATOM 0 HD2 LYS A 17 -4.190 2.040 -6.543 1.00 53.34 H new ATOM 0 HD3 LYS A 17 -3.655 3.621 -7.076 1.00 53.34 H new ATOM 0 HE2 LYS A 17 -4.785 2.940 -9.365 1.00 64.21 H new ATOM 0 HE3 LYS A 17 -5.629 1.750 -8.394 1.00 64.21 H new ATOM 0 HZ1 LYS A 17 -6.893 3.792 -8.573 1.00 3.12 H new ATOM 0 HZ2 LYS A 17 -6.435 3.535 -6.958 1.00 3.12 H new ATOM 0 HZ3 LYS A 17 -5.617 4.687 -7.900 1.00 3.12 H new ATOM 258 N CYS A 18 -0.133 1.333 -9.652 1.00 41.22 N ATOM 259 CA CYS A 18 1.252 1.757 -9.489 1.00 62.14 C ATOM 260 C CYS A 18 1.339 3.003 -8.612 1.00 62.43 C ATOM 261 O CYS A 18 1.088 4.117 -9.069 1.00 12.40 O ATOM 262 CB CYS A 18 1.887 2.035 -10.852 1.00 4.21 C ATOM 263 SG CYS A 18 3.658 2.451 -10.777 1.00 15.35 S ATOM 0 H CYS A 18 -0.710 1.977 -10.193 1.00 41.22 H new ATOM 0 HA CYS A 18 1.797 0.950 -9.000 1.00 62.14 H new ATOM 0 HB2 CYS A 18 1.757 1.158 -11.487 1.00 4.21 H new ATOM 0 HB3 CYS A 18 1.352 2.856 -11.329 1.00 4.21 H new ATOM 268 N LYS A 19 1.698 2.805 -7.347 1.00 62.51 N ATOM 269 CA LYS A 19 1.822 3.910 -6.405 1.00 43.44 C ATOM 270 C LYS A 19 2.738 4.997 -6.958 1.00 52.45 C ATOM 271 O LYS A 19 3.961 4.882 -6.896 1.00 22.22 O ATOM 272 CB LYS A 19 2.361 3.406 -5.063 1.00 4.23 C ATOM 273 CG LYS A 19 1.652 2.165 -4.551 1.00 3.31 C ATOM 274 CD LYS A 19 0.149 2.372 -4.473 1.00 1.43 C ATOM 275 CE LYS A 19 -0.214 3.441 -3.454 1.00 43.21 C ATOM 276 NZ LYS A 19 -1.683 3.681 -3.400 1.00 11.12 N ATOM 0 H LYS A 19 1.908 1.889 -6.951 1.00 62.51 H new ATOM 0 HA LYS A 19 0.831 4.338 -6.253 1.00 43.44 H new ATOM 0 HB2 LYS A 19 3.424 3.190 -5.166 1.00 4.23 H new ATOM 0 HB3 LYS A 19 2.267 4.200 -4.322 1.00 4.23 H new ATOM 0 HG2 LYS A 19 1.870 1.323 -5.208 1.00 3.31 H new ATOM 0 HG3 LYS A 19 2.036 1.907 -3.564 1.00 3.31 H new ATOM 0 HD2 LYS A 19 -0.231 2.658 -5.454 1.00 1.43 H new ATOM 0 HD3 LYS A 19 -0.335 1.433 -4.205 1.00 1.43 H new ATOM 0 HE2 LYS A 19 0.141 3.139 -2.469 1.00 43.21 H new ATOM 0 HE3 LYS A 19 0.297 4.371 -3.705 1.00 43.21 H new ATOM 0 HZ1 LYS A 19 -1.889 4.416 -2.694 1.00 11.12 H new ATOM 0 HZ2 LYS A 19 -2.018 3.994 -4.333 1.00 11.12 H new ATOM 0 HZ3 LYS A 19 -2.169 2.801 -3.135 1.00 11.12 H new ATOM 290 N GLY A 20 2.137 6.054 -7.496 1.00 62.31 N ATOM 291 CA GLY A 20 2.915 7.147 -8.051 1.00 65.14 C ATOM 292 C GLY A 20 2.219 7.821 -9.216 1.00 41.40 C ATOM 293 O GLY A 20 2.151 9.048 -9.282 1.00 50.04 O ATOM 0 H GLY A 20 1.126 6.173 -7.558 1.00 62.31 H new ATOM 0 HA2 GLY A 20 3.108 7.884 -7.271 1.00 65.14 H new ATOM 0 HA3 GLY A 20 3.883 6.769 -8.379 1.00 65.14 H new ATOM 434 N LEU A 29 7.339 6.027 -18.105 1.00 72.21 N ATOM 435 CA LEU A 29 7.437 5.071 -17.007 1.00 50.11 C ATOM 436 C LEU A 29 7.759 3.674 -17.528 1.00 54.33 C ATOM 437 O LEU A 29 7.512 3.364 -18.693 1.00 61.51 O ATOM 438 CB LEU A 29 6.130 5.043 -16.212 1.00 73.54 C ATOM 439 CG LEU A 29 4.851 4.877 -17.031 1.00 44.11 C ATOM 440 CD1 LEU A 29 4.706 3.440 -17.511 1.00 52.35 C ATOM 441 CD2 LEU A 29 3.636 5.292 -16.212 1.00 11.31 C ATOM 0 HA LEU A 29 8.248 5.389 -16.351 1.00 50.11 H new ATOM 0 HB2 LEU A 29 6.184 4.228 -15.491 1.00 73.54 H new ATOM 0 HB3 LEU A 29 6.055 5.969 -15.642 1.00 73.54 H new ATOM 0 HG LEU A 29 4.915 5.526 -17.905 1.00 44.11 H new ATOM 0 HD11 LEU A 29 3.789 3.341 -18.092 1.00 52.35 H new ATOM 0 HD12 LEU A 29 5.561 3.176 -18.134 1.00 52.35 H new ATOM 0 HD13 LEU A 29 4.664 2.772 -16.651 1.00 52.35 H new ATOM 0 HD21 LEU A 29 2.734 5.167 -16.811 1.00 11.31 H new ATOM 0 HD22 LEU A 29 3.568 4.669 -15.320 1.00 11.31 H new ATOM 0 HD23 LEU A 29 3.735 6.337 -15.918 1.00 11.31 H new ATOM 453 N GLU A 30 8.311 2.835 -16.656 1.00 41.52 N ATOM 454 CA GLU A 30 8.665 1.471 -17.029 1.00 25.22 C ATOM 455 C GLU A 30 7.936 0.460 -16.148 1.00 20.11 C ATOM 456 O GLU A 30 7.654 0.728 -14.980 1.00 3.11 O ATOM 457 CB GLU A 30 10.176 1.265 -16.918 1.00 34.33 C ATOM 458 CG GLU A 30 10.797 0.633 -18.153 1.00 41.04 C ATOM 459 CD GLU A 30 10.451 1.380 -19.426 1.00 35.40 C ATOM 460 OE1 GLU A 30 10.071 2.566 -19.335 1.00 54.05 O ATOM 461 OE2 GLU A 30 10.562 0.778 -20.514 1.00 2.35 O ATOM 0 H GLU A 30 8.522 3.076 -15.688 1.00 41.52 H new ATOM 0 HA GLU A 30 8.359 1.313 -18.063 1.00 25.22 H new ATOM 0 HB2 GLU A 30 10.653 2.228 -16.734 1.00 34.33 H new ATOM 0 HB3 GLU A 30 10.386 0.635 -16.053 1.00 34.33 H new ATOM 0 HG2 GLU A 30 11.880 0.604 -18.036 1.00 41.04 H new ATOM 0 HG3 GLU A 30 10.458 -0.399 -18.238 1.00 41.04 H new ATOM 468 N TRP A 31 7.635 -0.702 -16.717 1.00 63.20 N ATOM 469 CA TRP A 31 6.937 -1.753 -15.985 1.00 33.35 C ATOM 470 C TRP A 31 7.692 -3.075 -16.081 1.00 0.22 C ATOM 471 O TRP A 31 8.107 -3.487 -17.165 1.00 72.30 O ATOM 472 CB TRP A 31 5.516 -1.922 -16.523 1.00 34.52 C ATOM 473 CG TRP A 31 4.489 -1.168 -15.734 1.00 65.42 C ATOM 474 CD1 TRP A 31 4.253 0.176 -15.770 1.00 15.44 C ATOM 475 CD2 TRP A 31 3.561 -1.715 -14.792 1.00 31.31 C ATOM 476 NE1 TRP A 31 3.234 0.499 -14.906 1.00 74.30 N ATOM 477 CE2 TRP A 31 2.792 -0.645 -14.295 1.00 71.04 C ATOM 478 CE3 TRP A 31 3.302 -3.005 -14.321 1.00 73.32 C ATOM 479 CZ2 TRP A 31 1.785 -0.827 -13.351 1.00 73.15 C ATOM 480 CZ3 TRP A 31 2.304 -3.185 -13.383 1.00 44.24 C ATOM 481 CH2 TRP A 31 1.555 -2.101 -12.906 1.00 41.42 C ATOM 0 H TRP A 31 7.863 -0.940 -17.682 1.00 63.20 H new ATOM 0 HA TRP A 31 6.887 -1.459 -14.936 1.00 33.35 H new ATOM 0 HB2 TRP A 31 5.485 -1.587 -17.560 1.00 34.52 H new ATOM 0 HB3 TRP A 31 5.259 -2.981 -16.523 1.00 34.52 H new ATOM 0 HD1 TRP A 31 4.789 0.882 -16.387 1.00 15.44 H new ATOM 0 HE1 TRP A 31 2.867 1.437 -14.746 1.00 74.30 H new ATOM 0 HE3 TRP A 31 3.872 -3.847 -14.684 1.00 73.32 H new ATOM 0 HZ2 TRP A 31 1.206 0.007 -12.983 1.00 73.15 H new ATOM 0 HZ3 TRP A 31 2.098 -4.178 -13.011 1.00 44.24 H new ATOM 0 HH2 TRP A 31 0.781 -2.274 -12.173 1.00 41.42 H new ATOM 492 N LYS A 32 7.866 -3.737 -14.943 1.00 1.31 N ATOM 493 CA LYS A 32 8.569 -5.013 -14.899 1.00 41.01 C ATOM 494 C LYS A 32 7.849 -5.999 -13.984 1.00 20.44 C ATOM 495 O LYS A 32 7.431 -5.647 -12.881 1.00 41.10 O ATOM 496 CB LYS A 32 10.007 -4.811 -14.417 1.00 50.23 C ATOM 497 CG LYS A 32 11.042 -4.934 -15.522 1.00 23.51 C ATOM 498 CD LYS A 32 12.354 -4.271 -15.134 1.00 25.12 C ATOM 499 CE LYS A 32 12.602 -3.010 -15.948 1.00 75.11 C ATOM 500 NZ LYS A 32 13.877 -2.345 -15.563 1.00 10.25 N ATOM 0 H LYS A 32 7.529 -3.410 -14.037 1.00 1.31 H new ATOM 0 HA LYS A 32 8.585 -5.425 -15.908 1.00 41.01 H new ATOM 0 HB2 LYS A 32 10.093 -3.826 -13.959 1.00 50.23 H new ATOM 0 HB3 LYS A 32 10.228 -5.544 -13.641 1.00 50.23 H new ATOM 0 HG2 LYS A 32 11.217 -5.987 -15.742 1.00 23.51 H new ATOM 0 HG3 LYS A 32 10.658 -4.477 -16.434 1.00 23.51 H new ATOM 0 HD2 LYS A 32 12.338 -4.023 -14.073 1.00 25.12 H new ATOM 0 HD3 LYS A 32 13.176 -4.971 -15.286 1.00 25.12 H new ATOM 0 HE2 LYS A 32 12.629 -3.261 -17.008 1.00 75.11 H new ATOM 0 HE3 LYS A 32 11.773 -2.317 -15.806 1.00 75.11 H new ATOM 0 HZ1 LYS A 32 14.010 -1.490 -16.140 1.00 10.25 H new ATOM 0 HZ2 LYS A 32 13.842 -2.082 -14.557 1.00 10.25 H new ATOM 0 HZ3 LYS A 32 14.671 -2.998 -15.723 1.00 10.25 H new ATOM 514 N LEU A 33 7.710 -7.237 -14.448 1.00 10.20 N ATOM 515 CA LEU A 33 7.042 -8.275 -13.670 1.00 3.34 C ATOM 516 C LEU A 33 7.769 -9.609 -13.806 1.00 52.23 C ATOM 517 O LEU A 33 8.209 -9.979 -14.893 1.00 62.40 O ATOM 518 CB LEU A 33 5.589 -8.424 -14.125 1.00 11.05 C ATOM 519 CG LEU A 33 4.962 -7.196 -14.784 1.00 10.30 C ATOM 520 CD1 LEU A 33 3.668 -7.570 -15.491 1.00 71.22 C ATOM 521 CD2 LEU A 33 4.712 -6.106 -13.753 1.00 61.15 C ATOM 0 H LEU A 33 8.051 -7.546 -15.358 1.00 10.20 H new ATOM 0 HA LEU A 33 7.059 -7.978 -12.621 1.00 3.34 H new ATOM 0 HB2 LEU A 33 5.533 -9.256 -14.827 1.00 11.05 H new ATOM 0 HB3 LEU A 33 4.984 -8.695 -13.260 1.00 11.05 H new ATOM 0 HG LEU A 33 5.660 -6.812 -15.528 1.00 10.30 H new ATOM 0 HD11 LEU A 33 3.237 -6.682 -15.954 1.00 71.22 H new ATOM 0 HD12 LEU A 33 3.875 -8.315 -16.259 1.00 71.22 H new ATOM 0 HD13 LEU A 33 2.964 -7.981 -14.768 1.00 71.22 H new ATOM 0 HD21 LEU A 33 4.265 -5.240 -14.241 1.00 61.15 H new ATOM 0 HD22 LEU A 33 4.034 -6.480 -12.985 1.00 61.15 H new ATOM 0 HD23 LEU A 33 5.657 -5.817 -13.293 1.00 61.15 H new ATOM 533 N ASN A 34 7.890 -10.326 -12.694 1.00 60.14 N ATOM 534 CA ASN A 34 8.563 -11.620 -12.688 1.00 44.30 C ATOM 535 C ASN A 34 7.573 -12.746 -12.400 1.00 14.51 C ATOM 536 O ASN A 34 6.833 -12.701 -11.417 1.00 73.42 O ATOM 537 CB ASN A 34 9.683 -11.632 -11.647 1.00 1.51 C ATOM 538 CG ASN A 34 10.129 -13.038 -11.293 1.00 52.15 C ATOM 539 OD1 ASN A 34 9.479 -13.726 -10.505 1.00 74.23 O ATOM 540 ND2 ASN A 34 11.241 -13.470 -11.874 1.00 51.23 N ATOM 0 H ASN A 34 7.531 -10.033 -11.785 1.00 60.14 H new ATOM 0 HA ASN A 34 8.994 -11.782 -13.676 1.00 44.30 H new ATOM 0 HB2 ASN A 34 10.535 -11.069 -12.028 1.00 1.51 H new ATOM 0 HB3 ASN A 34 9.342 -11.124 -10.745 1.00 1.51 H new ATOM 0 HD21 ASN A 34 11.590 -14.407 -11.674 1.00 51.23 H new ATOM 0 HD22 ASN A 34 11.747 -12.865 -12.521 1.00 51.23 H new ATOM 547 N THR A 35 7.566 -13.756 -13.264 1.00 11.00 N ATOM 548 CA THR A 35 6.669 -14.893 -13.104 1.00 43.22 C ATOM 549 C THR A 35 7.390 -16.206 -13.385 1.00 75.35 C ATOM 550 O THR A 35 8.578 -16.218 -13.704 1.00 2.25 O ATOM 551 CB THR A 35 5.448 -14.781 -14.036 1.00 20.14 C ATOM 552 OG1 THR A 35 5.836 -15.056 -15.387 1.00 72.21 O ATOM 553 CG2 THR A 35 4.829 -13.394 -13.953 1.00 13.11 C ATOM 0 H THR A 35 8.172 -13.809 -14.083 1.00 11.00 H new ATOM 0 HA THR A 35 6.328 -14.883 -12.069 1.00 43.22 H new ATOM 0 HB THR A 35 4.706 -15.512 -13.716 1.00 20.14 H new ATOM 0 HG1 THR A 35 5.328 -15.823 -15.724 1.00 72.21 H new ATOM 0 HG21 THR A 35 3.969 -13.339 -14.620 1.00 13.11 H new ATOM 0 HG22 THR A 35 4.508 -13.199 -12.930 1.00 13.11 H new ATOM 0 HG23 THR A 35 5.566 -12.648 -14.250 1.00 13.11 H new ATOM 561 N GLY A 36 6.663 -17.313 -13.263 1.00 21.22 N ATOM 562 CA GLY A 36 7.250 -18.617 -13.508 1.00 34.33 C ATOM 563 C GLY A 36 8.215 -19.033 -12.415 1.00 3.42 C ATOM 564 O GLY A 36 7.871 -19.012 -11.234 1.00 74.52 O ATOM 0 H GLY A 36 5.678 -17.329 -12.999 1.00 21.22 H new ATOM 0 HA2 GLY A 36 6.456 -19.360 -13.590 1.00 34.33 H new ATOM 0 HA3 GLY A 36 7.773 -18.603 -14.464 1.00 34.33 H new ATOM 568 N ARG A 37 9.426 -19.414 -12.810 1.00 74.13 N ATOM 569 CA ARG A 37 10.442 -19.840 -11.855 1.00 11.31 C ATOM 570 C ARG A 37 11.616 -18.864 -11.840 1.00 61.42 C ATOM 571 O ARG A 37 12.193 -18.586 -10.788 1.00 64.25 O ATOM 572 CB ARG A 37 10.937 -21.246 -12.198 1.00 41.34 C ATOM 573 CG ARG A 37 11.297 -22.079 -10.978 1.00 25.04 C ATOM 574 CD ARG A 37 10.066 -22.418 -10.152 1.00 3.45 C ATOM 575 NE ARG A 37 10.361 -22.464 -8.723 1.00 52.31 N ATOM 576 CZ ARG A 37 9.429 -22.566 -7.783 1.00 63.33 C ATOM 577 NH1 ARG A 37 8.148 -22.633 -8.119 1.00 61.33 N ATOM 578 NH2 ARG A 37 9.776 -22.603 -6.502 1.00 3.34 N ATOM 0 H ARG A 37 9.727 -19.436 -13.784 1.00 74.13 H new ATOM 0 HA ARG A 37 9.991 -19.854 -10.863 1.00 11.31 H new ATOM 0 HB2 ARG A 37 10.166 -21.765 -12.767 1.00 41.34 H new ATOM 0 HB3 ARG A 37 11.811 -21.167 -12.844 1.00 41.34 H new ATOM 0 HG2 ARG A 37 11.788 -22.999 -11.296 1.00 25.04 H new ATOM 0 HG3 ARG A 37 12.011 -21.533 -10.361 1.00 25.04 H new ATOM 0 HD2 ARG A 37 9.289 -21.676 -10.338 1.00 3.45 H new ATOM 0 HD3 ARG A 37 9.669 -23.382 -10.471 1.00 3.45 H new ATOM 0 HE ARG A 37 11.337 -22.415 -8.431 1.00 52.31 H new ATOM 0 HH11 ARG A 37 7.876 -22.606 -9.102 1.00 61.33 H new ATOM 0 HH12 ARG A 37 7.434 -22.711 -7.395 1.00 61.33 H new ATOM 0 HH21 ARG A 37 10.760 -22.553 -6.239 1.00 3.34 H new ATOM 0 HH22 ARG A 37 9.058 -22.681 -5.781 1.00 3.34 H new ATOM 592 N THR A 38 11.966 -18.349 -13.013 1.00 3.14 N ATOM 593 CA THR A 38 13.072 -17.408 -13.136 1.00 44.32 C ATOM 594 C THR A 38 13.250 -16.954 -14.580 1.00 11.31 C ATOM 595 O THR A 38 13.652 -15.820 -14.839 1.00 61.14 O ATOM 596 CB THR A 38 14.392 -18.023 -12.636 1.00 23.24 C ATOM 597 OG1 THR A 38 14.313 -19.453 -12.679 1.00 1.43 O ATOM 598 CG2 THR A 38 14.699 -17.569 -11.218 1.00 44.03 C ATOM 0 H THR A 38 11.499 -18.568 -13.893 1.00 3.14 H new ATOM 0 HA THR A 38 12.824 -16.547 -12.516 1.00 44.32 H new ATOM 0 HB THR A 38 15.196 -17.684 -13.290 1.00 23.24 H new ATOM 0 HG1 THR A 38 15.157 -19.837 -12.361 1.00 1.43 H new ATOM 0 HG21 THR A 38 15.636 -18.017 -10.887 1.00 44.03 H new ATOM 0 HG22 THR A 38 14.788 -16.483 -11.195 1.00 44.03 H new ATOM 0 HG23 THR A 38 13.893 -17.881 -10.554 1.00 44.03 H new ATOM 606 N GLU A 39 12.948 -17.845 -15.518 1.00 64.44 N ATOM 607 CA GLU A 39 13.075 -17.535 -16.937 1.00 21.11 C ATOM 608 C GLU A 39 11.719 -17.180 -17.540 1.00 24.54 C ATOM 609 O GLU A 39 11.454 -17.464 -18.709 1.00 42.14 O ATOM 610 CB GLU A 39 13.685 -18.720 -17.688 1.00 21.23 C ATOM 611 CG GLU A 39 15.042 -19.147 -17.153 1.00 12.20 C ATOM 612 CD GLU A 39 15.324 -20.618 -17.384 1.00 65.54 C ATOM 613 OE1 GLU A 39 14.907 -21.442 -16.543 1.00 13.42 O ATOM 614 OE2 GLU A 39 15.961 -20.946 -18.407 1.00 61.24 O ATOM 0 H GLU A 39 12.613 -18.788 -15.321 1.00 64.44 H new ATOM 0 HA GLU A 39 13.734 -16.673 -17.037 1.00 21.11 H new ATOM 0 HB2 GLU A 39 13.000 -19.566 -17.633 1.00 21.23 H new ATOM 0 HB3 GLU A 39 13.785 -18.459 -18.742 1.00 21.23 H new ATOM 0 HG2 GLU A 39 15.820 -18.552 -17.631 1.00 12.20 H new ATOM 0 HG3 GLU A 39 15.090 -18.935 -16.085 1.00 12.20 H new ATOM 621 N ALA A 40 10.864 -16.559 -16.735 1.00 40.23 N ATOM 622 CA ALA A 40 9.537 -16.164 -17.189 1.00 42.12 C ATOM 623 C ALA A 40 9.321 -14.663 -17.018 1.00 32.32 C ATOM 624 O ALA A 40 8.305 -14.120 -17.448 1.00 24.11 O ATOM 625 CB ALA A 40 8.468 -16.941 -16.435 1.00 0.22 C ATOM 0 H ALA A 40 11.067 -16.319 -15.765 1.00 40.23 H new ATOM 0 HA ALA A 40 9.460 -16.397 -18.251 1.00 42.12 H new ATOM 0 HB1 ALA A 40 7.482 -16.636 -16.784 1.00 0.22 H new ATOM 0 HB2 ALA A 40 8.601 -18.008 -16.612 1.00 0.22 H new ATOM 0 HB3 ALA A 40 8.554 -16.736 -15.368 1.00 0.22 H new ATOM 631 N TRP A 41 10.284 -14.002 -16.386 1.00 13.32 N ATOM 632 CA TRP A 41 10.199 -12.563 -16.158 1.00 22.44 C ATOM 633 C TRP A 41 10.120 -11.806 -17.479 1.00 20.02 C ATOM 634 O TRP A 41 10.910 -12.046 -18.393 1.00 51.44 O ATOM 635 CB TRP A 41 11.406 -12.082 -15.351 1.00 31.13 C ATOM 636 CG TRP A 41 11.620 -10.600 -15.430 1.00 73.52 C ATOM 637 CD1 TRP A 41 11.065 -9.648 -14.623 1.00 71.33 C ATOM 638 CD2 TRP A 41 12.447 -9.903 -16.366 1.00 12.54 C ATOM 639 NE1 TRP A 41 11.497 -8.400 -15.002 1.00 64.22 N ATOM 640 CE2 TRP A 41 12.345 -8.529 -16.069 1.00 14.13 C ATOM 641 CE3 TRP A 41 13.264 -10.303 -17.427 1.00 2.43 C ATOM 642 CZ2 TRP A 41 13.030 -7.558 -16.795 1.00 14.20 C ATOM 643 CZ3 TRP A 41 13.943 -9.338 -18.146 1.00 14.02 C ATOM 644 CH2 TRP A 41 13.824 -7.979 -17.827 1.00 23.12 C ATOM 0 H TRP A 41 11.132 -14.438 -16.023 1.00 13.32 H new ATOM 0 HA TRP A 41 9.289 -12.363 -15.592 1.00 22.44 H new ATOM 0 HB2 TRP A 41 11.274 -12.368 -14.307 1.00 31.13 H new ATOM 0 HB3 TRP A 41 12.301 -12.591 -15.710 1.00 31.13 H new ATOM 0 HD1 TRP A 41 10.386 -9.847 -13.807 1.00 71.33 H new ATOM 0 HE1 TRP A 41 11.229 -7.520 -14.560 1.00 64.22 H new ATOM 0 HE3 TRP A 41 13.363 -11.348 -17.681 1.00 2.43 H new ATOM 0 HZ2 TRP A 41 12.938 -6.510 -16.552 1.00 14.20 H new ATOM 0 HZ3 TRP A 41 14.576 -9.637 -18.968 1.00 14.02 H new ATOM 0 HH2 TRP A 41 14.370 -7.249 -18.407 1.00 23.12 H new ATOM 655 N LYS A 42 9.162 -10.890 -17.575 1.00 2.10 N ATOM 656 CA LYS A 42 8.979 -10.096 -18.784 1.00 35.32 C ATOM 657 C LYS A 42 8.886 -8.611 -18.450 1.00 15.31 C ATOM 658 O LYS A 42 8.577 -8.236 -17.319 1.00 33.31 O ATOM 659 CB LYS A 42 7.718 -10.543 -19.528 1.00 55.32 C ATOM 660 CG LYS A 42 7.355 -11.998 -19.289 1.00 53.24 C ATOM 661 CD LYS A 42 6.386 -12.146 -18.128 1.00 63.35 C ATOM 662 CE LYS A 42 5.027 -11.546 -18.455 1.00 34.03 C ATOM 663 NZ LYS A 42 3.985 -12.594 -18.634 1.00 73.35 N ATOM 0 H LYS A 42 8.500 -10.679 -16.829 1.00 2.10 H new ATOM 0 HA LYS A 42 9.846 -10.253 -19.426 1.00 35.32 H new ATOM 0 HB2 LYS A 42 6.883 -9.914 -19.221 1.00 55.32 H new ATOM 0 HB3 LYS A 42 7.861 -10.384 -20.597 1.00 55.32 H new ATOM 0 HG2 LYS A 42 6.910 -12.416 -20.192 1.00 53.24 H new ATOM 0 HG3 LYS A 42 8.259 -12.571 -19.085 1.00 53.24 H new ATOM 0 HD2 LYS A 42 6.269 -13.202 -17.883 1.00 63.35 H new ATOM 0 HD3 LYS A 42 6.798 -11.657 -17.245 1.00 63.35 H new ATOM 0 HE2 LYS A 42 4.727 -10.869 -17.655 1.00 34.03 H new ATOM 0 HE3 LYS A 42 5.103 -10.950 -19.365 1.00 34.03 H new ATOM 0 HZ1 LYS A 42 3.074 -12.144 -18.855 1.00 73.35 H new ATOM 0 HZ2 LYS A 42 4.258 -13.225 -19.414 1.00 73.35 H new ATOM 0 HZ3 LYS A 42 3.894 -13.146 -17.758 1.00 73.35 H new ATOM 677 N VAL A 43 9.155 -7.768 -19.442 1.00 31.13 N ATOM 678 CA VAL A 43 9.099 -6.323 -19.254 1.00 13.43 C ATOM 679 C VAL A 43 7.826 -5.739 -19.856 1.00 71.32 C ATOM 680 O VAL A 43 7.592 -5.840 -21.062 1.00 72.44 O ATOM 681 CB VAL A 43 10.318 -5.627 -19.888 1.00 53.33 C ATOM 682 CG1 VAL A 43 10.226 -4.119 -19.708 1.00 31.41 C ATOM 683 CG2 VAL A 43 11.609 -6.165 -19.289 1.00 30.02 C ATOM 0 H VAL A 43 9.414 -8.061 -20.384 1.00 31.13 H new ATOM 0 HA VAL A 43 9.105 -6.144 -18.179 1.00 13.43 H new ATOM 0 HB VAL A 43 10.322 -5.842 -20.957 1.00 53.33 H new ATOM 0 HG11 VAL A 43 11.096 -3.645 -20.162 1.00 31.41 H new ATOM 0 HG12 VAL A 43 9.319 -3.750 -20.188 1.00 31.41 H new ATOM 0 HG13 VAL A 43 10.197 -3.881 -18.645 1.00 31.41 H new ATOM 0 HG21 VAL A 43 12.460 -5.662 -19.748 1.00 30.02 H new ATOM 0 HG22 VAL A 43 11.616 -5.982 -18.215 1.00 30.02 H new ATOM 0 HG23 VAL A 43 11.677 -7.237 -19.475 1.00 30.02 H new ATOM 693 N LEU A 44 7.004 -5.128 -19.009 1.00 35.24 N ATOM 694 CA LEU A 44 5.753 -4.526 -19.457 1.00 72.22 C ATOM 695 C LEU A 44 5.960 -3.068 -19.851 1.00 14.54 C ATOM 696 O LEU A 44 6.775 -2.363 -19.256 1.00 40.55 O ATOM 697 CB LEU A 44 4.695 -4.624 -18.357 1.00 13.30 C ATOM 698 CG LEU A 44 3.473 -5.485 -18.675 1.00 63.13 C ATOM 699 CD1 LEU A 44 2.457 -5.407 -17.545 1.00 4.43 C ATOM 700 CD2 LEU A 44 2.844 -5.053 -19.992 1.00 72.54 C ATOM 0 H LEU A 44 7.181 -5.037 -18.009 1.00 35.24 H new ATOM 0 HA LEU A 44 5.409 -5.074 -20.334 1.00 72.22 H new ATOM 0 HB2 LEU A 44 5.169 -5.020 -17.459 1.00 13.30 H new ATOM 0 HB3 LEU A 44 4.353 -3.617 -18.119 1.00 13.30 H new ATOM 0 HG LEU A 44 3.797 -6.521 -18.774 1.00 63.13 H new ATOM 0 HD11 LEU A 44 1.594 -6.026 -17.789 1.00 4.43 H new ATOM 0 HD12 LEU A 44 2.912 -5.766 -16.622 1.00 4.43 H new ATOM 0 HD13 LEU A 44 2.137 -4.373 -17.414 1.00 4.43 H new ATOM 0 HD21 LEU A 44 1.975 -5.677 -20.202 1.00 72.54 H new ATOM 0 HD22 LEU A 44 2.534 -4.010 -19.922 1.00 72.54 H new ATOM 0 HD23 LEU A 44 3.572 -5.162 -20.796 1.00 72.54 H new ATOM 712 N SER A 45 5.217 -2.621 -20.859 1.00 1.20 N ATOM 713 CA SER A 45 5.320 -1.247 -21.334 1.00 12.52 C ATOM 714 C SER A 45 3.952 -0.571 -21.344 1.00 15.13 C ATOM 715 O SER A 45 2.910 -1.222 -21.294 1.00 51.15 O ATOM 716 CB SER A 45 5.927 -1.214 -22.738 1.00 31.45 C ATOM 717 OG SER A 45 5.929 -2.504 -23.324 1.00 63.44 O ATOM 0 H SER A 45 4.537 -3.191 -21.362 1.00 1.20 H new ATOM 0 HA SER A 45 5.971 -0.701 -20.651 1.00 12.52 H new ATOM 0 HB2 SER A 45 5.360 -0.527 -23.366 1.00 31.45 H new ATOM 0 HB3 SER A 45 6.947 -0.833 -22.688 1.00 31.45 H new ATOM 0 HG SER A 45 6.320 -2.455 -24.221 1.00 63.44 H new ATOM 723 N PRO A 46 3.956 0.769 -21.411 1.00 60.22 N ATOM 724 CA PRO A 46 2.724 1.564 -21.429 1.00 32.14 C ATOM 725 C PRO A 46 1.950 1.403 -22.733 1.00 31.20 C ATOM 726 O PRO A 46 0.892 2.005 -22.915 1.00 41.03 O ATOM 727 CB PRO A 46 3.228 3.001 -21.280 1.00 43.31 C ATOM 728 CG PRO A 46 4.620 2.973 -21.810 1.00 32.31 C ATOM 729 CD PRO A 46 5.163 1.611 -21.474 1.00 41.21 C ATOM 0 HA PRO A 46 2.029 1.258 -20.647 1.00 32.14 H new ATOM 0 HB2 PRO A 46 2.605 3.699 -21.840 1.00 43.31 H new ATOM 0 HB3 PRO A 46 3.208 3.321 -20.238 1.00 43.31 H new ATOM 0 HG2 PRO A 46 4.631 3.143 -22.887 1.00 32.31 H new ATOM 0 HG3 PRO A 46 5.226 3.758 -21.357 1.00 32.31 H new ATOM 0 HD2 PRO A 46 5.860 1.258 -22.234 1.00 41.21 H new ATOM 0 HD3 PRO A 46 5.700 1.615 -20.526 1.00 41.21 H new ATOM 737 N GLN A 47 2.485 0.588 -23.636 1.00 31.21 N ATOM 738 CA GLN A 47 1.843 0.349 -24.924 1.00 72.11 C ATOM 739 C GLN A 47 1.498 -1.127 -25.094 1.00 2.22 C ATOM 740 O GLN A 47 2.129 -1.835 -25.878 1.00 4.42 O ATOM 741 CB GLN A 47 2.753 0.808 -26.064 1.00 23.40 C ATOM 742 CG GLN A 47 2.033 0.959 -27.395 1.00 44.13 C ATOM 743 CD GLN A 47 0.882 1.943 -27.326 1.00 43.21 C ATOM 744 OE1 GLN A 47 -0.282 1.567 -27.476 1.00 34.25 O ATOM 745 NE2 GLN A 47 1.200 3.212 -27.098 1.00 42.11 N ATOM 0 H GLN A 47 3.360 0.082 -23.500 1.00 31.21 H new ATOM 0 HA GLN A 47 0.918 0.925 -24.954 1.00 72.11 H new ATOM 0 HB2 GLN A 47 3.205 1.763 -25.795 1.00 23.40 H new ATOM 0 HB3 GLN A 47 3.566 0.091 -26.180 1.00 23.40 H new ATOM 0 HG2 GLN A 47 2.743 1.289 -28.153 1.00 44.13 H new ATOM 0 HG3 GLN A 47 1.657 -0.013 -27.713 1.00 44.13 H new ATOM 0 HE21 GLN A 47 2.177 3.480 -26.980 1.00 42.11 H new ATOM 0 HE22 GLN A 47 0.467 3.919 -27.041 1.00 42.11 H new ATOM 852 N ALA A 56 -1.008 -8.833 -21.399 1.00 13.15 N ATOM 853 CA ALA A 56 -1.833 -7.823 -20.749 1.00 51.01 C ATOM 854 C ALA A 56 -1.521 -6.430 -21.286 1.00 71.22 C ATOM 855 O ALA A 56 -0.598 -6.253 -22.082 1.00 24.30 O ATOM 856 CB ALA A 56 -1.630 -7.867 -19.241 1.00 44.10 C ATOM 0 HA ALA A 56 -2.877 -8.044 -20.971 1.00 51.01 H new ATOM 0 HB1 ALA A 56 -2.252 -7.107 -18.768 1.00 44.10 H new ATOM 0 HB2 ALA A 56 -1.910 -8.851 -18.865 1.00 44.10 H new ATOM 0 HB3 ALA A 56 -0.583 -7.674 -19.009 1.00 44.10 H new ATOM 862 N ARG A 57 -2.295 -5.444 -20.846 1.00 40.34 N ATOM 863 CA ARG A 57 -2.102 -4.067 -21.284 1.00 4.42 C ATOM 864 C ARG A 57 -1.872 -3.144 -20.091 1.00 52.42 C ATOM 865 O ARG A 57 -2.181 -3.495 -18.952 1.00 3.54 O ATOM 866 CB ARG A 57 -3.315 -3.590 -22.085 1.00 42.44 C ATOM 867 CG ARG A 57 -4.597 -4.334 -21.751 1.00 42.54 C ATOM 868 CD ARG A 57 -5.608 -4.241 -22.883 1.00 13.10 C ATOM 869 NE ARG A 57 -6.675 -3.289 -22.588 1.00 14.44 N ATOM 870 CZ ARG A 57 -7.678 -3.027 -23.420 1.00 72.03 C ATOM 871 NH1 ARG A 57 -7.749 -3.644 -24.591 1.00 62.14 N ATOM 872 NH2 ARG A 57 -8.611 -2.148 -23.079 1.00 3.41 N ATOM 0 H ARG A 57 -3.062 -5.573 -20.186 1.00 40.34 H new ATOM 0 HA ARG A 57 -1.218 -4.035 -21.921 1.00 4.42 H new ATOM 0 HB2 ARG A 57 -3.465 -2.526 -21.902 1.00 42.44 H new ATOM 0 HB3 ARG A 57 -3.105 -3.704 -23.148 1.00 42.44 H new ATOM 0 HG2 ARG A 57 -4.369 -5.381 -21.551 1.00 42.54 H new ATOM 0 HG3 ARG A 57 -5.031 -3.922 -20.840 1.00 42.54 H new ATOM 0 HD2 ARG A 57 -5.099 -3.942 -23.800 1.00 13.10 H new ATOM 0 HD3 ARG A 57 -6.040 -5.225 -23.064 1.00 13.10 H new ATOM 0 HE ARG A 57 -6.649 -2.798 -21.694 1.00 14.44 H new ATOM 0 HH11 ARG A 57 -7.033 -4.321 -24.855 1.00 62.14 H new ATOM 0 HH12 ARG A 57 -8.519 -3.442 -25.228 1.00 62.14 H new ATOM 0 HH21 ARG A 57 -8.559 -1.673 -22.178 1.00 3.41 H new ATOM 0 HH22 ARG A 57 -9.380 -1.947 -23.718 1.00 3.41 H new ATOM 886 N VAL A 58 -1.326 -1.962 -20.360 1.00 44.21 N ATOM 887 CA VAL A 58 -1.055 -0.988 -19.310 1.00 14.45 C ATOM 888 C VAL A 58 -2.018 0.190 -19.390 1.00 4.23 C ATOM 889 O VAL A 58 -2.209 0.781 -20.454 1.00 20.54 O ATOM 890 CB VAL A 58 0.391 -0.461 -19.394 1.00 50.55 C ATOM 891 CG1 VAL A 58 0.540 0.818 -18.584 1.00 3.04 C ATOM 892 CG2 VAL A 58 1.372 -1.521 -18.917 1.00 72.12 C ATOM 0 H VAL A 58 -1.063 -1.656 -21.297 1.00 44.21 H new ATOM 0 HA VAL A 58 -1.193 -1.502 -18.359 1.00 14.45 H new ATOM 0 HB VAL A 58 0.617 -0.232 -20.435 1.00 50.55 H new ATOM 0 HG11 VAL A 58 1.567 1.176 -18.655 1.00 3.04 H new ATOM 0 HG12 VAL A 58 -0.137 1.578 -18.976 1.00 3.04 H new ATOM 0 HG13 VAL A 58 0.296 0.618 -17.541 1.00 3.04 H new ATOM 0 HG21 VAL A 58 2.388 -1.132 -18.983 1.00 72.12 H new ATOM 0 HG22 VAL A 58 1.150 -1.783 -17.882 1.00 72.12 H new ATOM 0 HG23 VAL A 58 1.282 -2.409 -19.543 1.00 72.12 H new ATOM 902 N LEU A 59 -2.626 0.529 -18.258 1.00 73.21 N ATOM 903 CA LEU A 59 -3.572 1.638 -18.199 1.00 53.12 C ATOM 904 C LEU A 59 -2.856 2.973 -18.377 1.00 71.23 C ATOM 905 O LEU A 59 -1.650 3.093 -18.161 1.00 70.32 O ATOM 906 CB LEU A 59 -4.324 1.621 -16.868 1.00 41.53 C ATOM 907 CG LEU A 59 -5.462 0.607 -16.751 1.00 52.41 C ATOM 908 CD1 LEU A 59 -5.971 0.537 -15.320 1.00 31.21 C ATOM 909 CD2 LEU A 59 -6.593 0.962 -17.705 1.00 55.34 C ATOM 0 H LEU A 59 -2.481 0.052 -17.368 1.00 73.21 H new ATOM 0 HA LEU A 59 -4.287 1.519 -19.013 1.00 53.12 H new ATOM 0 HB2 LEU A 59 -3.607 1.425 -16.071 1.00 41.53 H new ATOM 0 HB3 LEU A 59 -4.732 2.616 -16.692 1.00 41.53 H new ATOM 0 HG LEU A 59 -5.077 -0.375 -17.025 1.00 52.41 H new ATOM 0 HD11 LEU A 59 -6.781 -0.190 -15.257 1.00 31.21 H new ATOM 0 HD12 LEU A 59 -5.159 0.234 -14.659 1.00 31.21 H new ATOM 0 HD13 LEU A 59 -6.339 1.517 -15.016 1.00 31.21 H new ATOM 0 HD21 LEU A 59 -7.394 0.229 -17.608 1.00 55.34 H new ATOM 0 HD22 LEU A 59 -6.976 1.953 -17.462 1.00 55.34 H new ATOM 0 HD23 LEU A 59 -6.220 0.958 -18.729 1.00 55.34 H new ATOM 921 N PRO A 60 -3.616 4.003 -18.777 1.00 12.12 N ATOM 922 CA PRO A 60 -3.076 5.349 -18.989 1.00 11.54 C ATOM 923 C PRO A 60 -2.676 6.026 -17.683 1.00 61.11 C ATOM 924 O PRO A 60 -1.842 6.930 -17.671 1.00 12.11 O ATOM 925 CB PRO A 60 -4.239 6.098 -19.644 1.00 3.43 C ATOM 926 CG PRO A 60 -5.460 5.376 -19.189 1.00 44.40 C ATOM 927 CD PRO A 60 -5.061 3.933 -19.053 1.00 2.22 C ATOM 0 HA PRO A 60 -2.167 5.333 -19.591 1.00 11.54 H new ATOM 0 HB2 PRO A 60 -4.260 7.143 -19.336 1.00 3.43 H new ATOM 0 HB3 PRO A 60 -4.155 6.087 -20.731 1.00 3.43 H new ATOM 0 HG2 PRO A 60 -5.817 5.773 -18.239 1.00 44.40 H new ATOM 0 HG3 PRO A 60 -6.272 5.490 -19.908 1.00 44.40 H new ATOM 0 HD2 PRO A 60 -5.601 3.441 -18.244 1.00 2.22 H new ATOM 0 HD3 PRO A 60 -5.269 3.371 -19.963 1.00 2.22 H new ATOM 935 N ASN A 61 -3.275 5.582 -16.584 1.00 61.45 N ATOM 936 CA ASN A 61 -2.981 6.145 -15.271 1.00 31.11 C ATOM 937 C ASN A 61 -1.737 5.498 -14.668 1.00 50.00 C ATOM 938 O ASN A 61 -1.327 5.831 -13.557 1.00 43.35 O ATOM 939 CB ASN A 61 -4.173 5.956 -14.331 1.00 23.30 C ATOM 940 CG ASN A 61 -4.678 4.525 -14.319 1.00 31.11 C ATOM 941 OD1 ASN A 61 -4.006 3.614 -14.803 1.00 51.14 O ATOM 942 ND2 ASN A 61 -5.867 4.323 -13.764 1.00 62.54 N ATOM 0 H ASN A 61 -3.968 4.833 -16.576 1.00 61.45 H new ATOM 0 HA ASN A 61 -2.792 7.211 -15.396 1.00 31.11 H new ATOM 0 HB2 ASN A 61 -3.885 6.245 -13.320 1.00 23.30 H new ATOM 0 HB3 ASN A 61 -4.981 6.621 -14.635 1.00 23.30 H new ATOM 0 HD21 ASN A 61 -6.259 3.382 -13.726 1.00 62.54 H new ATOM 0 HD22 ASN A 61 -6.388 5.109 -13.375 1.00 62.54 H new ATOM 949 N GLY A 62 -1.140 4.571 -15.410 1.00 20.41 N ATOM 950 CA GLY A 62 0.051 3.892 -14.934 1.00 42.44 C ATOM 951 C GLY A 62 -0.268 2.593 -14.220 1.00 42.22 C ATOM 952 O GLY A 62 0.503 2.134 -13.378 1.00 54.14 O ATOM 0 H GLY A 62 -1.460 4.278 -16.333 1.00 20.41 H new ATOM 0 HA2 GLY A 62 0.710 3.687 -15.778 1.00 42.44 H new ATOM 0 HA3 GLY A 62 0.595 4.551 -14.257 1.00 42.44 H new ATOM 956 N SER A 63 -1.409 2.001 -14.555 1.00 24.51 N ATOM 957 CA SER A 63 -1.832 0.750 -13.936 1.00 44.35 C ATOM 958 C SER A 63 -1.660 -0.420 -14.900 1.00 1.42 C ATOM 959 O SER A 63 -1.205 -0.244 -16.032 1.00 5.42 O ATOM 960 CB SER A 63 -3.292 0.846 -13.488 1.00 23.03 C ATOM 961 OG SER A 63 -3.391 1.402 -12.189 1.00 61.13 O ATOM 0 H SER A 63 -2.058 2.367 -15.252 1.00 24.51 H new ATOM 0 HA SER A 63 -1.202 0.575 -13.064 1.00 44.35 H new ATOM 0 HB2 SER A 63 -3.853 1.460 -14.193 1.00 23.03 H new ATOM 0 HB3 SER A 63 -3.745 -0.145 -13.498 1.00 23.03 H new ATOM 0 HG SER A 63 -2.518 1.753 -11.916 1.00 61.13 H new ATOM 967 N LEU A 64 -2.026 -1.613 -14.446 1.00 51.42 N ATOM 968 CA LEU A 64 -1.913 -2.813 -15.267 1.00 51.21 C ATOM 969 C LEU A 64 -3.220 -3.598 -15.267 1.00 63.45 C ATOM 970 O LEU A 64 -3.788 -3.879 -14.211 1.00 13.51 O ATOM 971 CB LEU A 64 -0.773 -3.697 -14.759 1.00 61.12 C ATOM 972 CG LEU A 64 -0.819 -5.164 -15.187 1.00 43.12 C ATOM 973 CD1 LEU A 64 -0.622 -5.288 -16.691 1.00 52.54 C ATOM 974 CD2 LEU A 64 0.233 -5.971 -14.441 1.00 32.14 C ATOM 0 H LEU A 64 -2.404 -1.775 -13.513 1.00 51.42 H new ATOM 0 HA LEU A 64 -1.697 -2.504 -16.290 1.00 51.21 H new ATOM 0 HB2 LEU A 64 0.170 -3.270 -15.099 1.00 61.12 H new ATOM 0 HB3 LEU A 64 -0.767 -3.657 -13.670 1.00 61.12 H new ATOM 0 HG LEU A 64 -1.801 -5.565 -14.936 1.00 43.12 H new ATOM 0 HD11 LEU A 64 -0.658 -6.339 -16.977 1.00 52.54 H new ATOM 0 HD12 LEU A 64 -1.413 -4.744 -17.208 1.00 52.54 H new ATOM 0 HD13 LEU A 64 0.346 -4.870 -16.967 1.00 52.54 H new ATOM 0 HD21 LEU A 64 0.185 -7.013 -14.759 1.00 32.14 H new ATOM 0 HD22 LEU A 64 1.222 -5.570 -14.660 1.00 32.14 H new ATOM 0 HD23 LEU A 64 0.046 -5.910 -13.369 1.00 32.14 H new ATOM 986 N PHE A 65 -3.692 -3.952 -16.458 1.00 41.13 N ATOM 987 CA PHE A 65 -4.933 -4.707 -16.594 1.00 34.33 C ATOM 988 C PHE A 65 -4.708 -5.978 -17.407 1.00 71.30 C ATOM 989 O PHE A 65 -4.149 -5.938 -18.504 1.00 13.44 O ATOM 990 CB PHE A 65 -6.008 -3.846 -17.261 1.00 73.25 C ATOM 991 CG PHE A 65 -7.336 -4.536 -17.385 1.00 2.13 C ATOM 992 CD1 PHE A 65 -7.571 -5.432 -18.415 1.00 4.10 C ATOM 993 CD2 PHE A 65 -8.348 -4.288 -16.473 1.00 22.33 C ATOM 994 CE1 PHE A 65 -8.793 -6.068 -18.534 1.00 40.33 C ATOM 995 CE2 PHE A 65 -9.572 -4.922 -16.585 1.00 12.52 C ATOM 996 CZ PHE A 65 -9.794 -5.813 -17.616 1.00 31.24 C ATOM 0 H PHE A 65 -3.235 -3.729 -17.342 1.00 41.13 H new ATOM 0 HA PHE A 65 -5.270 -4.988 -15.596 1.00 34.33 H new ATOM 0 HB2 PHE A 65 -6.136 -2.929 -16.686 1.00 73.25 H new ATOM 0 HB3 PHE A 65 -5.665 -3.555 -18.254 1.00 73.25 H new ATOM 0 HD1 PHE A 65 -6.791 -5.636 -19.133 1.00 4.10 H new ATOM 0 HD2 PHE A 65 -8.180 -3.591 -15.665 1.00 22.33 H new ATOM 0 HE1 PHE A 65 -8.965 -6.763 -19.343 1.00 40.33 H new ATOM 0 HE2 PHE A 65 -10.353 -4.720 -15.867 1.00 12.52 H new ATOM 0 HZ PHE A 65 -10.749 -6.310 -17.705 1.00 31.24 H new ATOM 1006 N LEU A 66 -5.147 -7.107 -16.862 1.00 63.31 N ATOM 1007 CA LEU A 66 -4.995 -8.393 -17.535 1.00 0.11 C ATOM 1008 C LEU A 66 -6.352 -9.041 -17.785 1.00 1.31 C ATOM 1009 O LEU A 66 -7.187 -9.158 -16.888 1.00 40.45 O ATOM 1010 CB LEU A 66 -4.116 -9.327 -16.700 1.00 5.20 C ATOM 1011 CG LEU A 66 -2.757 -8.769 -16.276 1.00 62.13 C ATOM 1012 CD1 LEU A 66 -2.769 -8.397 -14.802 1.00 41.35 C ATOM 1013 CD2 LEU A 66 -1.654 -9.777 -16.564 1.00 21.41 C ATOM 0 H LEU A 66 -5.611 -7.158 -15.955 1.00 63.31 H new ATOM 0 HA LEU A 66 -4.515 -8.217 -18.498 1.00 0.11 H new ATOM 0 HB2 LEU A 66 -4.668 -9.606 -15.802 1.00 5.20 H new ATOM 0 HB3 LEU A 66 -3.949 -10.242 -17.269 1.00 5.20 H new ATOM 0 HG LEU A 66 -2.559 -7.867 -16.856 1.00 62.13 H new ATOM 0 HD11 LEU A 66 -1.794 -8.002 -14.519 1.00 41.35 H new ATOM 0 HD12 LEU A 66 -3.533 -7.640 -14.624 1.00 41.35 H new ATOM 0 HD13 LEU A 66 -2.989 -9.282 -14.205 1.00 41.35 H new ATOM 0 HD21 LEU A 66 -0.694 -9.363 -16.256 1.00 21.41 H new ATOM 0 HD22 LEU A 66 -1.847 -10.696 -16.011 1.00 21.41 H new ATOM 0 HD23 LEU A 66 -1.630 -9.995 -17.632 1.00 21.41 H new ATOM 1025 N PRO A 67 -6.580 -9.475 -19.033 1.00 20.34 N ATOM 1026 CA PRO A 67 -7.835 -10.123 -19.430 1.00 55.51 C ATOM 1027 C PRO A 67 -7.992 -11.508 -18.814 1.00 22.24 C ATOM 1028 O PRO A 67 -9.104 -11.945 -18.522 1.00 44.34 O ATOM 1029 CB PRO A 67 -7.715 -10.224 -20.953 1.00 73.33 C ATOM 1030 CG PRO A 67 -6.249 -10.233 -21.218 1.00 2.51 C ATOM 1031 CD PRO A 67 -5.631 -9.369 -20.154 1.00 13.32 C ATOM 0 HA PRO A 67 -8.708 -9.563 -19.094 1.00 55.51 H new ATOM 0 HB2 PRO A 67 -8.191 -11.130 -21.328 1.00 73.33 H new ATOM 0 HB3 PRO A 67 -8.201 -9.382 -21.445 1.00 73.33 H new ATOM 0 HG2 PRO A 67 -5.851 -11.247 -21.177 1.00 2.51 H new ATOM 0 HG3 PRO A 67 -6.030 -9.844 -22.212 1.00 2.51 H new ATOM 0 HD2 PRO A 67 -4.639 -9.723 -19.875 1.00 13.32 H new ATOM 0 HD3 PRO A 67 -5.519 -8.338 -20.489 1.00 13.32 H new ATOM 1039 N ALA A 68 -6.871 -12.196 -18.619 1.00 11.45 N ATOM 1040 CA ALA A 68 -6.885 -13.531 -18.036 1.00 5.34 C ATOM 1041 C ALA A 68 -5.488 -13.948 -17.588 1.00 63.44 C ATOM 1042 O ALA A 68 -4.656 -14.343 -18.403 1.00 55.20 O ATOM 1043 CB ALA A 68 -7.444 -14.535 -19.032 1.00 32.50 C ATOM 0 H ALA A 68 -5.942 -11.850 -18.857 1.00 11.45 H new ATOM 0 HA ALA A 68 -7.529 -13.511 -17.157 1.00 5.34 H new ATOM 0 HB1 ALA A 68 -7.449 -15.528 -18.583 1.00 32.50 H new ATOM 0 HB2 ALA A 68 -8.462 -14.253 -19.300 1.00 32.50 H new ATOM 0 HB3 ALA A 68 -6.822 -14.544 -19.927 1.00 32.50 H new ATOM 1049 N VAL A 69 -5.239 -13.858 -16.285 1.00 31.41 N ATOM 1050 CA VAL A 69 -3.943 -14.227 -15.728 1.00 72.44 C ATOM 1051 C VAL A 69 -3.757 -15.740 -15.725 1.00 31.42 C ATOM 1052 O VAL A 69 -4.522 -16.470 -15.096 1.00 53.43 O ATOM 1053 CB VAL A 69 -3.780 -13.698 -14.290 1.00 20.53 C ATOM 1054 CG1 VAL A 69 -3.644 -12.184 -14.291 1.00 71.24 C ATOM 1055 CG2 VAL A 69 -4.951 -14.137 -13.425 1.00 23.11 C ATOM 0 H VAL A 69 -5.917 -13.533 -15.596 1.00 31.41 H new ATOM 0 HA VAL A 69 -3.183 -13.772 -16.364 1.00 72.44 H new ATOM 0 HB VAL A 69 -2.868 -14.120 -13.867 1.00 20.53 H new ATOM 0 HG11 VAL A 69 -3.530 -11.828 -13.267 1.00 71.24 H new ATOM 0 HG12 VAL A 69 -2.769 -11.898 -14.874 1.00 71.24 H new ATOM 0 HG13 VAL A 69 -4.536 -11.739 -14.732 1.00 71.24 H new ATOM 0 HG21 VAL A 69 -4.819 -13.755 -12.413 1.00 23.11 H new ATOM 0 HG22 VAL A 69 -5.879 -13.746 -13.843 1.00 23.11 H new ATOM 0 HG23 VAL A 69 -4.996 -15.226 -13.398 1.00 23.11 H new ATOM 1065 N GLY A 70 -2.733 -16.206 -16.435 1.00 62.20 N ATOM 1066 CA GLY A 70 -2.464 -17.630 -16.501 1.00 24.42 C ATOM 1067 C GLY A 70 -1.587 -18.109 -15.361 1.00 12.33 C ATOM 1068 O GLY A 70 -0.918 -17.309 -14.706 1.00 11.34 O ATOM 0 H GLY A 70 -2.086 -15.622 -16.965 1.00 62.20 H new ATOM 0 HA2 GLY A 70 -3.407 -18.176 -16.483 1.00 24.42 H new ATOM 0 HA3 GLY A 70 -1.980 -17.861 -17.450 1.00 24.42 H new ATOM 1072 N ILE A 71 -1.590 -19.415 -15.121 1.00 25.42 N ATOM 1073 CA ILE A 71 -0.789 -19.998 -14.053 1.00 53.14 C ATOM 1074 C ILE A 71 0.678 -19.607 -14.190 1.00 55.44 C ATOM 1075 O ILE A 71 1.390 -19.472 -13.194 1.00 31.31 O ATOM 1076 CB ILE A 71 -0.900 -21.534 -14.039 1.00 74.44 C ATOM 1077 CG1 ILE A 71 -0.712 -22.068 -12.617 1.00 61.43 C ATOM 1078 CG2 ILE A 71 0.125 -22.148 -14.980 1.00 2.24 C ATOM 1079 CD1 ILE A 71 0.073 -23.359 -12.555 1.00 33.03 C ATOM 0 H ILE A 71 -2.139 -20.090 -15.653 1.00 25.42 H new ATOM 0 HA ILE A 71 -1.181 -19.605 -13.115 1.00 53.14 H new ATOM 0 HB ILE A 71 -1.895 -21.814 -14.384 1.00 74.44 H new ATOM 0 HG12 ILE A 71 -0.202 -21.313 -12.019 1.00 61.43 H new ATOM 0 HG13 ILE A 71 -1.691 -22.225 -12.164 1.00 61.43 H new ATOM 0 HG21 ILE A 71 0.034 -23.234 -14.959 1.00 2.24 H new ATOM 0 HG22 ILE A 71 -0.051 -21.789 -15.994 1.00 2.24 H new ATOM 0 HG23 ILE A 71 1.128 -21.862 -14.663 1.00 2.24 H new ATOM 0 HD11 ILE A 71 0.167 -23.678 -11.517 1.00 33.03 H new ATOM 0 HD12 ILE A 71 -0.447 -24.129 -13.126 1.00 33.03 H new ATOM 0 HD13 ILE A 71 1.065 -23.202 -12.978 1.00 33.03 H new ATOM 1091 N GLN A 72 1.123 -19.424 -15.428 1.00 24.10 N ATOM 1092 CA GLN A 72 2.507 -19.047 -15.695 1.00 45.42 C ATOM 1093 C GLN A 72 2.743 -17.578 -15.362 1.00 53.43 C ATOM 1094 O GLN A 72 3.874 -17.164 -15.107 1.00 14.21 O ATOM 1095 CB GLN A 72 2.856 -19.312 -17.160 1.00 65.12 C ATOM 1096 CG GLN A 72 1.990 -18.540 -18.142 1.00 43.25 C ATOM 1097 CD GLN A 72 2.594 -18.480 -19.531 1.00 40.23 C ATOM 1098 OE1 GLN A 72 2.006 -18.964 -20.498 1.00 4.21 O ATOM 1099 NE2 GLN A 72 3.775 -17.882 -19.638 1.00 60.44 N ATOM 0 H GLN A 72 0.546 -19.530 -16.263 1.00 24.10 H new ATOM 0 HA GLN A 72 3.152 -19.654 -15.060 1.00 45.42 H new ATOM 0 HB2 GLN A 72 3.901 -19.052 -17.328 1.00 65.12 H new ATOM 0 HB3 GLN A 72 2.756 -20.379 -17.361 1.00 65.12 H new ATOM 0 HG2 GLN A 72 1.006 -19.006 -18.198 1.00 43.25 H new ATOM 0 HG3 GLN A 72 1.842 -17.526 -17.770 1.00 43.25 H new ATOM 0 HE21 GLN A 72 4.227 -17.494 -18.810 1.00 60.44 H new ATOM 0 HE22 GLN A 72 4.230 -17.810 -20.548 1.00 60.44 H new ATOM 1108 N ASP A 73 1.671 -16.794 -15.366 1.00 64.34 N ATOM 1109 CA ASP A 73 1.762 -15.370 -15.063 1.00 60.13 C ATOM 1110 C ASP A 73 1.946 -15.144 -13.565 1.00 24.10 C ATOM 1111 O ASP A 73 2.143 -14.015 -13.119 1.00 52.13 O ATOM 1112 CB ASP A 73 0.508 -14.642 -15.551 1.00 31.02 C ATOM 1113 CG ASP A 73 0.746 -13.882 -16.841 1.00 70.12 C ATOM 1114 OD1 ASP A 73 1.171 -12.709 -16.769 1.00 22.00 O ATOM 1115 OD2 ASP A 73 0.508 -14.459 -17.921 1.00 33.35 O ATOM 0 H ASP A 73 0.728 -17.121 -15.576 1.00 64.34 H new ATOM 0 HA ASP A 73 2.632 -14.968 -15.583 1.00 60.13 H new ATOM 0 HB2 ASP A 73 -0.293 -15.365 -15.701 1.00 31.02 H new ATOM 0 HB3 ASP A 73 0.171 -13.948 -14.781 1.00 31.02 H new ATOM 1120 N GLU A 74 1.879 -16.226 -12.795 1.00 20.54 N ATOM 1121 CA GLU A 74 2.036 -16.144 -11.348 1.00 51.40 C ATOM 1122 C GLU A 74 3.444 -15.684 -10.979 1.00 60.20 C ATOM 1123 O GLU A 74 4.424 -16.087 -11.604 1.00 73.14 O ATOM 1124 CB GLU A 74 1.746 -17.501 -10.704 1.00 72.24 C ATOM 1125 CG GLU A 74 2.855 -18.520 -10.906 1.00 11.20 C ATOM 1126 CD GLU A 74 3.725 -18.688 -9.676 1.00 55.31 C ATOM 1127 OE1 GLU A 74 3.170 -18.934 -8.584 1.00 12.33 O ATOM 1128 OE2 GLU A 74 4.962 -18.572 -9.805 1.00 74.03 O ATOM 0 H GLU A 74 1.717 -17.169 -13.149 1.00 20.54 H new ATOM 0 HA GLU A 74 1.322 -15.411 -10.971 1.00 51.40 H new ATOM 0 HB2 GLU A 74 1.584 -17.359 -9.635 1.00 72.24 H new ATOM 0 HB3 GLU A 74 0.819 -17.899 -11.117 1.00 72.24 H new ATOM 0 HG2 GLU A 74 2.416 -19.482 -11.169 1.00 11.20 H new ATOM 0 HG3 GLU A 74 3.477 -18.213 -11.747 1.00 11.20 H new ATOM 1135 N GLY A 75 3.534 -14.835 -9.960 1.00 40.30 N ATOM 1136 CA GLY A 75 4.824 -14.332 -9.525 1.00 34.53 C ATOM 1137 C GLY A 75 4.715 -13.010 -8.791 1.00 62.40 C ATOM 1138 O GLY A 75 3.778 -12.798 -8.020 1.00 32.00 O ATOM 0 H GLY A 75 2.737 -14.486 -9.428 1.00 40.30 H new ATOM 0 HA2 GLY A 75 5.296 -15.067 -8.874 1.00 34.53 H new ATOM 0 HA3 GLY A 75 5.474 -14.210 -10.392 1.00 34.53 H new ATOM 1142 N ILE A 76 5.673 -12.123 -9.028 1.00 14.20 N ATOM 1143 CA ILE A 76 5.680 -10.815 -8.383 1.00 33.31 C ATOM 1144 C ILE A 76 5.711 -9.693 -9.414 1.00 51.13 C ATOM 1145 O ILE A 76 6.497 -9.727 -10.362 1.00 24.31 O ATOM 1146 CB ILE A 76 6.886 -10.662 -7.436 1.00 4.43 C ATOM 1147 CG1 ILE A 76 6.624 -11.391 -6.118 1.00 1.11 C ATOM 1148 CG2 ILE A 76 7.177 -9.189 -7.185 1.00 31.20 C ATOM 1149 CD1 ILE A 76 7.503 -12.605 -5.913 1.00 31.14 C ATOM 0 H ILE A 76 6.455 -12.285 -9.662 1.00 14.20 H new ATOM 0 HA ILE A 76 4.760 -10.744 -7.802 1.00 33.31 H new ATOM 0 HB ILE A 76 7.760 -11.110 -7.909 1.00 4.43 H new ATOM 0 HG12 ILE A 76 6.778 -10.697 -5.292 1.00 1.11 H new ATOM 0 HG13 ILE A 76 5.579 -11.699 -6.084 1.00 1.11 H new ATOM 0 HG21 ILE A 76 8.031 -9.096 -6.514 1.00 31.20 H new ATOM 0 HG22 ILE A 76 7.403 -8.696 -8.131 1.00 31.20 H new ATOM 0 HG23 ILE A 76 6.306 -8.718 -6.730 1.00 31.20 H new ATOM 0 HD11 ILE A 76 7.262 -13.072 -4.958 1.00 31.14 H new ATOM 0 HD12 ILE A 76 7.332 -13.318 -6.719 1.00 31.14 H new ATOM 0 HD13 ILE A 76 8.550 -12.301 -5.914 1.00 31.14 H new ATOM 1161 N PHE A 77 4.852 -8.698 -9.222 1.00 14.43 N ATOM 1162 CA PHE A 77 4.781 -7.562 -10.136 1.00 64.23 C ATOM 1163 C PHE A 77 5.437 -6.328 -9.522 1.00 62.31 C ATOM 1164 O PHE A 77 5.286 -6.061 -8.330 1.00 13.23 O ATOM 1165 CB PHE A 77 3.324 -7.257 -10.490 1.00 30.32 C ATOM 1166 CG PHE A 77 2.687 -8.302 -11.360 1.00 43.13 C ATOM 1167 CD1 PHE A 77 2.514 -9.597 -10.897 1.00 33.44 C ATOM 1168 CD2 PHE A 77 2.261 -7.990 -12.641 1.00 65.32 C ATOM 1169 CE1 PHE A 77 1.929 -10.561 -11.695 1.00 61.30 C ATOM 1170 CE2 PHE A 77 1.673 -8.950 -13.444 1.00 33.51 C ATOM 1171 CZ PHE A 77 1.509 -10.238 -12.970 1.00 4.15 C ATOM 0 H PHE A 77 4.195 -8.654 -8.443 1.00 14.43 H new ATOM 0 HA PHE A 77 5.322 -7.824 -11.045 1.00 64.23 H new ATOM 0 HB2 PHE A 77 2.747 -7.161 -9.570 1.00 30.32 H new ATOM 0 HB3 PHE A 77 3.276 -6.294 -10.998 1.00 30.32 H new ATOM 0 HD1 PHE A 77 2.840 -9.855 -9.900 1.00 33.44 H new ATOM 0 HD2 PHE A 77 2.390 -6.986 -13.017 1.00 65.32 H new ATOM 0 HE1 PHE A 77 1.800 -11.566 -11.322 1.00 61.30 H new ATOM 0 HE2 PHE A 77 1.342 -8.694 -14.440 1.00 33.51 H new ATOM 0 HZ PHE A 77 1.053 -10.991 -13.596 1.00 4.15 H new ATOM 1181 N ARG A 78 6.164 -5.581 -10.345 1.00 23.03 N ATOM 1182 CA ARG A 78 6.845 -4.378 -9.885 1.00 40.41 C ATOM 1183 C ARG A 78 6.649 -3.230 -10.873 1.00 61.51 C ATOM 1184 O ARG A 78 6.647 -3.437 -12.087 1.00 54.40 O ATOM 1185 CB ARG A 78 8.337 -4.651 -9.693 1.00 11.52 C ATOM 1186 CG ARG A 78 8.634 -6.004 -9.068 1.00 24.50 C ATOM 1187 CD ARG A 78 10.130 -6.262 -8.981 1.00 3.15 C ATOM 1188 NE ARG A 78 10.465 -7.649 -9.295 1.00 43.23 N ATOM 1189 CZ ARG A 78 11.684 -8.051 -9.634 1.00 33.22 C ATOM 1190 NH1 ARG A 78 12.679 -7.177 -9.703 1.00 75.30 N ATOM 1191 NH2 ARG A 78 11.912 -9.330 -9.905 1.00 61.42 N ATOM 0 H ARG A 78 6.297 -5.788 -11.335 1.00 23.03 H new ATOM 0 HA ARG A 78 6.410 -4.089 -8.928 1.00 40.41 H new ATOM 0 HB2 ARG A 78 8.836 -4.590 -10.660 1.00 11.52 H new ATOM 0 HB3 ARG A 78 8.763 -3.869 -9.064 1.00 11.52 H new ATOM 0 HG2 ARG A 78 8.198 -6.049 -8.070 1.00 24.50 H new ATOM 0 HG3 ARG A 78 8.162 -6.790 -9.658 1.00 24.50 H new ATOM 0 HD2 ARG A 78 10.653 -5.598 -9.669 1.00 3.15 H new ATOM 0 HD3 ARG A 78 10.482 -6.022 -7.977 1.00 3.15 H new ATOM 0 HE ARG A 78 9.722 -8.346 -9.251 1.00 43.23 H new ATOM 0 HH11 ARG A 78 12.509 -6.193 -9.495 1.00 75.30 H new ATOM 0 HH12 ARG A 78 13.615 -7.489 -9.964 1.00 75.30 H new ATOM 0 HH21 ARG A 78 11.150 -10.006 -9.853 1.00 61.42 H new ATOM 0 HH22 ARG A 78 12.849 -9.637 -10.165 1.00 61.42 H new ATOM 1205 N CYS A 79 6.484 -2.023 -10.344 1.00 2.04 N ATOM 1206 CA CYS A 79 6.287 -0.843 -11.178 1.00 71.50 C ATOM 1207 C CYS A 79 7.254 0.269 -10.784 1.00 32.42 C ATOM 1208 O CYS A 79 7.660 0.370 -9.627 1.00 11.21 O ATOM 1209 CB CYS A 79 4.844 -0.345 -11.060 1.00 15.41 C ATOM 1210 SG CYS A 79 4.500 1.165 -12.018 1.00 45.10 S ATOM 0 H CYS A 79 6.483 -1.836 -9.341 1.00 2.04 H new ATOM 0 HA CYS A 79 6.485 -1.123 -12.213 1.00 71.50 H new ATOM 0 HB2 CYS A 79 4.170 -1.135 -11.392 1.00 15.41 H new ATOM 0 HB3 CYS A 79 4.621 -0.155 -10.010 1.00 15.41 H new ATOM 1215 N GLN A 80 7.619 1.100 -11.756 1.00 32.53 N ATOM 1216 CA GLN A 80 8.539 2.203 -11.511 1.00 53.50 C ATOM 1217 C GLN A 80 8.094 3.459 -12.254 1.00 13.33 C ATOM 1218 O GLN A 80 7.870 3.429 -13.463 1.00 2.24 O ATOM 1219 CB GLN A 80 9.956 1.819 -11.939 1.00 12.53 C ATOM 1220 CG GLN A 80 10.033 1.250 -13.346 1.00 22.14 C ATOM 1221 CD GLN A 80 11.442 1.261 -13.905 1.00 71.41 C ATOM 1222 OE1 GLN A 80 12.077 2.312 -13.997 1.00 0.14 O ATOM 1223 NE2 GLN A 80 11.941 0.088 -14.279 1.00 23.35 N ATOM 0 H GLN A 80 7.291 1.030 -12.719 1.00 32.53 H new ATOM 0 HA GLN A 80 8.535 2.414 -10.442 1.00 53.50 H new ATOM 0 HB2 GLN A 80 10.597 2.699 -11.876 1.00 12.53 H new ATOM 0 HB3 GLN A 80 10.352 1.085 -11.237 1.00 12.53 H new ATOM 0 HG2 GLN A 80 9.656 0.227 -13.341 1.00 22.14 H new ATOM 0 HG3 GLN A 80 9.381 1.826 -14.003 1.00 22.14 H new ATOM 0 HE21 GLN A 80 11.380 -0.758 -14.185 1.00 23.35 H new ATOM 0 HE22 GLN A 80 12.886 0.034 -14.660 1.00 23.35 H new ATOM 1232 N ALA A 81 7.966 4.560 -11.521 1.00 15.23 N ATOM 1233 CA ALA A 81 7.549 5.826 -12.111 1.00 32.14 C ATOM 1234 C ALA A 81 8.463 6.965 -11.671 1.00 0.34 C ATOM 1235 O ALA A 81 9.203 6.838 -10.696 1.00 34.32 O ATOM 1236 CB ALA A 81 6.106 6.131 -11.740 1.00 3.43 C ATOM 0 H ALA A 81 8.145 4.601 -10.518 1.00 15.23 H new ATOM 0 HA ALA A 81 7.622 5.735 -13.195 1.00 32.14 H new ATOM 0 HB1 ALA A 81 5.808 7.079 -12.187 1.00 3.43 H new ATOM 0 HB2 ALA A 81 5.459 5.336 -12.111 1.00 3.43 H new ATOM 0 HB3 ALA A 81 6.015 6.197 -10.656 1.00 3.43 H new ATOM 1242 N MET A 82 8.407 8.077 -12.397 1.00 41.21 N ATOM 1243 CA MET A 82 9.230 9.239 -12.080 1.00 30.53 C ATOM 1244 C MET A 82 8.381 10.503 -12.008 1.00 1.33 C ATOM 1245 O MET A 82 7.667 10.837 -12.953 1.00 35.25 O ATOM 1246 CB MET A 82 10.333 9.409 -13.126 1.00 32.11 C ATOM 1247 CG MET A 82 11.117 10.703 -12.978 1.00 60.13 C ATOM 1248 SD MET A 82 12.819 10.555 -13.554 1.00 62.04 S ATOM 1249 CE MET A 82 13.499 9.448 -12.321 1.00 31.13 C ATOM 0 H MET A 82 7.801 8.198 -13.208 1.00 41.21 H new ATOM 0 HA MET A 82 9.687 9.075 -11.104 1.00 30.53 H new ATOM 0 HB2 MET A 82 11.021 8.567 -13.056 1.00 32.11 H new ATOM 0 HB3 MET A 82 9.888 9.375 -14.120 1.00 32.11 H new ATOM 0 HG2 MET A 82 10.616 11.493 -13.538 1.00 60.13 H new ATOM 0 HG3 MET A 82 11.117 11.005 -11.931 1.00 60.13 H new ATOM 0 HE1 MET A 82 14.574 9.610 -12.240 1.00 31.13 H new ATOM 0 HE2 MET A 82 13.029 9.644 -11.357 1.00 31.13 H new ATOM 0 HE3 MET A 82 13.308 8.416 -12.614 1.00 31.13 H new ATOM 1259 N ASN A 83 8.463 11.203 -10.881 1.00 33.34 N ATOM 1260 CA ASN A 83 7.701 12.431 -10.687 1.00 25.21 C ATOM 1261 C ASN A 83 8.466 13.637 -11.224 1.00 51.01 C ATOM 1262 O ASN A 83 9.628 13.524 -11.613 1.00 20.35 O ATOM 1263 CB ASN A 83 7.387 12.632 -9.203 1.00 21.14 C ATOM 1264 CG ASN A 83 6.820 11.381 -8.558 1.00 53.31 C ATOM 1265 OD1 ASN A 83 7.442 10.787 -7.677 1.00 13.54 O ATOM 1266 ND2 ASN A 83 5.634 10.976 -8.995 1.00 62.12 N ATOM 0 H ASN A 83 9.049 10.941 -10.089 1.00 33.34 H new ATOM 0 HA ASN A 83 6.766 12.340 -11.240 1.00 25.21 H new ATOM 0 HB2 ASN A 83 8.296 12.928 -8.679 1.00 21.14 H new ATOM 0 HB3 ASN A 83 6.675 13.450 -9.092 1.00 21.14 H new ATOM 0 HD21 ASN A 83 5.202 10.141 -8.599 1.00 62.12 H new ATOM 0 HD22 ASN A 83 5.154 11.500 -9.727 1.00 62.12 H new ATOM 1273 N ARG A 84 7.805 14.790 -11.241 1.00 20.30 N ATOM 1274 CA ARG A 84 8.422 16.017 -11.731 1.00 2.03 C ATOM 1275 C ARG A 84 9.489 16.514 -10.759 1.00 1.33 C ATOM 1276 O ARG A 84 10.347 17.316 -11.123 1.00 33.52 O ATOM 1277 CB ARG A 84 7.361 17.099 -11.937 1.00 2.14 C ATOM 1278 CG ARG A 84 6.800 17.658 -10.640 1.00 65.12 C ATOM 1279 CD ARG A 84 5.418 18.259 -10.844 1.00 24.12 C ATOM 1280 NE ARG A 84 4.401 17.234 -11.061 1.00 33.43 N ATOM 1281 CZ ARG A 84 3.100 17.493 -11.137 1.00 14.14 C ATOM 1282 NH1 ARG A 84 2.661 18.737 -11.015 1.00 1.32 N ATOM 1283 NH2 ARG A 84 2.237 16.506 -11.337 1.00 42.12 N ATOM 0 H ARG A 84 6.843 14.900 -10.921 1.00 20.30 H new ATOM 0 HA ARG A 84 8.899 15.799 -12.687 1.00 2.03 H new ATOM 0 HB2 ARG A 84 7.794 17.914 -12.517 1.00 2.14 H new ATOM 0 HB3 ARG A 84 6.544 16.686 -12.528 1.00 2.14 H new ATOM 0 HG2 ARG A 84 6.747 16.865 -9.894 1.00 65.12 H new ATOM 0 HG3 ARG A 84 7.475 18.419 -10.249 1.00 65.12 H new ATOM 0 HD2 ARG A 84 5.150 18.856 -9.972 1.00 24.12 H new ATOM 0 HD3 ARG A 84 5.439 18.935 -11.699 1.00 24.12 H new ATOM 0 HE ARG A 84 4.706 16.266 -11.160 1.00 33.43 H new ATOM 0 HH11 ARG A 84 3.322 19.499 -10.862 1.00 1.32 H new ATOM 0 HH12 ARG A 84 1.662 18.933 -11.074 1.00 1.32 H new ATOM 0 HH21 ARG A 84 2.572 15.547 -11.433 1.00 42.12 H new ATOM 0 HH22 ARG A 84 1.238 16.706 -11.395 1.00 42.12 H new ATOM 1297 N ASN A 85 9.426 16.032 -9.523 1.00 71.32 N ATOM 1298 CA ASN A 85 10.386 16.428 -8.498 1.00 11.42 C ATOM 1299 C ASN A 85 11.742 15.773 -8.742 1.00 33.10 C ATOM 1300 O ASN A 85 12.778 16.293 -8.328 1.00 40.55 O ATOM 1301 CB ASN A 85 9.867 16.050 -7.110 1.00 44.42 C ATOM 1302 CG ASN A 85 8.458 16.555 -6.863 1.00 41.32 C ATOM 1303 OD1 ASN A 85 8.262 17.625 -6.285 1.00 75.54 O ATOM 1304 ND2 ASN A 85 7.469 15.785 -7.300 1.00 1.14 N ATOM 0 H ASN A 85 8.721 15.367 -9.206 1.00 71.32 H new ATOM 0 HA ASN A 85 10.510 17.510 -8.550 1.00 11.42 H new ATOM 0 HB2 ASN A 85 9.886 14.966 -7.001 1.00 44.42 H new ATOM 0 HB3 ASN A 85 10.535 16.458 -6.352 1.00 44.42 H new ATOM 0 HD21 ASN A 85 6.500 16.072 -7.162 1.00 1.14 H new ATOM 0 HD22 ASN A 85 7.678 14.906 -7.774 1.00 1.14 H new ATOM 1311 N GLY A 86 11.728 14.628 -9.417 1.00 2.13 N ATOM 1312 CA GLY A 86 12.963 13.921 -9.705 1.00 42.11 C ATOM 1313 C GLY A 86 13.038 12.579 -9.006 1.00 23.10 C ATOM 1314 O GLY A 86 13.880 11.743 -9.336 1.00 1.54 O ATOM 0 H GLY A 86 10.884 14.177 -9.770 1.00 2.13 H new ATOM 0 HA2 GLY A 86 13.051 13.772 -10.781 1.00 42.11 H new ATOM 0 HA3 GLY A 86 13.810 14.535 -9.398 1.00 42.11 H new ATOM 1318 N LYS A 87 12.156 12.369 -8.035 1.00 61.22 N ATOM 1319 CA LYS A 87 12.124 11.118 -7.285 1.00 35.13 C ATOM 1320 C LYS A 87 11.310 10.061 -8.025 1.00 72.33 C ATOM 1321 O LYS A 87 10.348 10.382 -8.720 1.00 24.12 O ATOM 1322 CB LYS A 87 11.535 11.349 -5.892 1.00 14.35 C ATOM 1323 CG LYS A 87 10.128 11.920 -5.913 1.00 33.23 C ATOM 1324 CD LYS A 87 9.860 12.790 -4.697 1.00 13.10 C ATOM 1325 CE LYS A 87 10.775 14.006 -4.669 1.00 30.42 C ATOM 1326 NZ LYS A 87 11.485 14.135 -3.366 1.00 41.41 N ATOM 0 H LYS A 87 11.453 13.050 -7.748 1.00 61.22 H new ATOM 0 HA LYS A 87 13.148 10.758 -7.184 1.00 35.13 H new ATOM 0 HB2 LYS A 87 11.526 10.404 -5.349 1.00 14.35 H new ATOM 0 HB3 LYS A 87 12.185 12.028 -5.340 1.00 14.35 H new ATOM 0 HG2 LYS A 87 9.987 12.508 -6.820 1.00 33.23 H new ATOM 0 HG3 LYS A 87 9.404 11.105 -5.945 1.00 33.23 H new ATOM 0 HD2 LYS A 87 8.820 13.116 -4.704 1.00 13.10 H new ATOM 0 HD3 LYS A 87 10.005 12.204 -3.790 1.00 13.10 H new ATOM 0 HE2 LYS A 87 11.505 13.930 -5.475 1.00 30.42 H new ATOM 0 HE3 LYS A 87 10.189 14.906 -4.854 1.00 30.42 H new ATOM 0 HZ1 LYS A 87 12.098 14.975 -3.386 1.00 41.41 H new ATOM 0 HZ2 LYS A 87 10.789 14.233 -2.600 1.00 41.41 H new ATOM 0 HZ3 LYS A 87 12.064 13.287 -3.201 1.00 41.41 H new ATOM 1340 N GLU A 88 11.703 8.801 -7.867 1.00 42.02 N ATOM 1341 CA GLU A 88 11.007 7.698 -8.519 1.00 50.11 C ATOM 1342 C GLU A 88 10.136 6.938 -7.522 1.00 32.13 C ATOM 1343 O GLU A 88 10.515 6.751 -6.366 1.00 30.00 O ATOM 1344 CB GLU A 88 12.013 6.744 -9.167 1.00 60.44 C ATOM 1345 CG GLU A 88 11.503 5.319 -9.297 1.00 24.40 C ATOM 1346 CD GLU A 88 12.217 4.540 -10.385 1.00 4.51 C ATOM 1347 OE1 GLU A 88 11.980 4.832 -11.576 1.00 53.45 O ATOM 1348 OE2 GLU A 88 13.012 3.639 -10.046 1.00 65.11 O ATOM 0 H GLU A 88 12.498 8.519 -7.294 1.00 42.02 H new ATOM 0 HA GLU A 88 10.362 8.115 -9.293 1.00 50.11 H new ATOM 0 HB2 GLU A 88 12.272 7.120 -10.157 1.00 60.44 H new ATOM 0 HB3 GLU A 88 12.930 6.741 -8.577 1.00 60.44 H new ATOM 0 HG2 GLU A 88 11.629 4.804 -8.345 1.00 24.40 H new ATOM 0 HG3 GLU A 88 10.434 5.338 -9.511 1.00 24.40 H new ATOM 1355 N THR A 89 8.967 6.501 -7.980 1.00 74.24 N ATOM 1356 CA THR A 89 8.042 5.763 -7.129 1.00 3.21 C ATOM 1357 C THR A 89 8.053 4.276 -7.465 1.00 54.01 C ATOM 1358 O THR A 89 7.864 3.887 -8.617 1.00 21.01 O ATOM 1359 CB THR A 89 6.603 6.298 -7.269 1.00 71.43 C ATOM 1360 OG1 THR A 89 6.590 7.457 -8.108 1.00 22.03 O ATOM 1361 CG2 THR A 89 6.021 6.645 -5.907 1.00 75.24 C ATOM 0 H THR A 89 8.639 6.645 -8.935 1.00 74.24 H new ATOM 0 HA THR A 89 8.377 5.903 -6.101 1.00 3.21 H new ATOM 0 HB THR A 89 5.991 5.517 -7.721 1.00 71.43 H new ATOM 0 HG1 THR A 89 5.708 7.881 -8.066 1.00 22.03 H new ATOM 0 HG21 THR A 89 5.005 7.020 -6.030 1.00 75.24 H new ATOM 0 HG22 THR A 89 6.005 5.753 -5.280 1.00 75.24 H new ATOM 0 HG23 THR A 89 6.636 7.410 -5.433 1.00 75.24 H new ATOM 1369 N LYS A 90 8.277 3.447 -6.450 1.00 1.43 N ATOM 1370 CA LYS A 90 8.312 2.002 -6.635 1.00 5.13 C ATOM 1371 C LYS A 90 7.060 1.349 -6.058 1.00 34.35 C ATOM 1372 O LYS A 90 6.537 1.785 -5.033 1.00 13.21 O ATOM 1373 CB LYS A 90 9.559 1.412 -5.975 1.00 72.34 C ATOM 1374 CG LYS A 90 9.736 1.833 -4.526 1.00 73.24 C ATOM 1375 CD LYS A 90 11.026 2.611 -4.325 1.00 45.51 C ATOM 1376 CE LYS A 90 10.967 3.971 -5.003 1.00 50.05 C ATOM 1377 NZ LYS A 90 12.185 4.783 -4.725 1.00 22.13 N ATOM 0 H LYS A 90 8.437 3.753 -5.490 1.00 1.43 H new ATOM 0 HA LYS A 90 8.346 1.799 -7.705 1.00 5.13 H new ATOM 0 HB2 LYS A 90 9.506 0.324 -6.025 1.00 72.34 H new ATOM 0 HB3 LYS A 90 10.439 1.715 -6.543 1.00 72.34 H new ATOM 0 HG2 LYS A 90 8.889 2.446 -4.218 1.00 73.24 H new ATOM 0 HG3 LYS A 90 9.739 0.950 -3.887 1.00 73.24 H new ATOM 0 HD2 LYS A 90 11.211 2.742 -3.259 1.00 45.51 H new ATOM 0 HD3 LYS A 90 11.863 2.039 -4.726 1.00 45.51 H new ATOM 0 HE2 LYS A 90 10.858 3.836 -6.079 1.00 50.05 H new ATOM 0 HE3 LYS A 90 10.085 4.510 -4.659 1.00 50.05 H new ATOM 0 HZ1 LYS A 90 12.091 5.715 -5.176 1.00 22.13 H new ATOM 0 HZ2 LYS A 90 12.294 4.905 -3.698 1.00 22.13 H new ATOM 0 HZ3 LYS A 90 13.021 4.296 -5.106 1.00 22.13 H new ATOM 1391 N SER A 91 6.585 0.300 -6.722 1.00 71.44 N ATOM 1392 CA SER A 91 5.394 -0.412 -6.276 1.00 74.04 C ATOM 1393 C SER A 91 5.493 -1.898 -6.605 1.00 25.34 C ATOM 1394 O SER A 91 5.737 -2.276 -7.751 1.00 43.02 O ATOM 1395 CB SER A 91 4.144 0.183 -6.926 1.00 0.41 C ATOM 1396 OG SER A 91 4.052 1.575 -6.673 1.00 10.03 O ATOM 0 H SER A 91 7.007 -0.075 -7.571 1.00 71.44 H new ATOM 0 HA SER A 91 5.320 -0.301 -5.194 1.00 74.04 H new ATOM 0 HB2 SER A 91 4.170 0.006 -8.001 1.00 0.41 H new ATOM 0 HB3 SER A 91 3.256 -0.319 -6.542 1.00 0.41 H new ATOM 0 HG SER A 91 4.165 2.068 -7.512 1.00 10.03 H new ATOM 1402 N ASN A 92 5.303 -2.737 -5.592 1.00 24.30 N ATOM 1403 CA ASN A 92 5.371 -4.183 -5.774 1.00 73.22 C ATOM 1404 C ASN A 92 4.042 -4.840 -5.416 1.00 61.14 C ATOM 1405 O ASN A 92 3.508 -4.631 -4.326 1.00 30.20 O ATOM 1406 CB ASN A 92 6.492 -4.772 -4.915 1.00 31.44 C ATOM 1407 CG ASN A 92 6.828 -6.199 -5.303 1.00 22.44 C ATOM 1408 OD1 ASN A 92 7.893 -6.470 -5.857 1.00 74.43 O ATOM 1409 ND2 ASN A 92 5.916 -7.121 -5.014 1.00 24.25 N ATOM 0 H ASN A 92 5.101 -2.441 -4.637 1.00 24.30 H new ATOM 0 HA ASN A 92 5.582 -4.383 -6.824 1.00 73.22 H new ATOM 0 HB2 ASN A 92 7.384 -4.153 -5.011 1.00 31.44 H new ATOM 0 HB3 ASN A 92 6.196 -4.744 -3.866 1.00 31.44 H new ATOM 0 HD21 ASN A 92 6.085 -8.098 -5.252 1.00 24.25 H new ATOM 0 HD22 ASN A 92 5.046 -6.852 -4.554 1.00 24.25 H new ATOM 1416 N TYR A 93 3.513 -5.634 -6.339 1.00 23.42 N ATOM 1417 CA TYR A 93 2.246 -6.321 -6.122 1.00 64.23 C ATOM 1418 C TYR A 93 2.403 -7.827 -6.306 1.00 65.25 C ATOM 1419 O TYR A 93 2.796 -8.295 -7.374 1.00 20.21 O ATOM 1420 CB TYR A 93 1.181 -5.787 -7.083 1.00 51.45 C ATOM 1421 CG TYR A 93 0.517 -4.515 -6.605 1.00 34.21 C ATOM 1422 CD1 TYR A 93 1.264 -3.372 -6.349 1.00 13.04 C ATOM 1423 CD2 TYR A 93 -0.857 -4.456 -6.411 1.00 34.43 C ATOM 1424 CE1 TYR A 93 0.663 -2.208 -5.912 1.00 52.11 C ATOM 1425 CE2 TYR A 93 -1.468 -3.296 -5.975 1.00 32.05 C ATOM 1426 CZ TYR A 93 -0.704 -2.175 -5.727 1.00 61.15 C ATOM 1427 OH TYR A 93 -1.307 -1.017 -5.292 1.00 4.34 O ATOM 0 H TYR A 93 3.942 -5.818 -7.246 1.00 23.42 H new ATOM 0 HA TYR A 93 1.930 -6.130 -5.096 1.00 64.23 H new ATOM 0 HB2 TYR A 93 1.639 -5.605 -8.055 1.00 51.45 H new ATOM 0 HB3 TYR A 93 0.419 -6.552 -7.229 1.00 51.45 H new ATOM 0 HD1 TYR A 93 2.334 -3.394 -6.494 1.00 13.04 H new ATOM 0 HD2 TYR A 93 -1.458 -5.332 -6.604 1.00 34.43 H new ATOM 0 HE1 TYR A 93 1.259 -1.329 -5.716 1.00 52.11 H new ATOM 0 HE2 TYR A 93 -2.538 -3.267 -5.829 1.00 32.05 H new ATOM 0 HH TYR A 93 -2.273 -1.161 -5.214 1.00 4.34 H new ATOM 1437 N ARG A 94 2.091 -8.581 -5.257 1.00 53.45 N ATOM 1438 CA ARG A 94 2.199 -10.034 -5.300 1.00 3.54 C ATOM 1439 C ARG A 94 0.952 -10.652 -5.928 1.00 32.02 C ATOM 1440 O ARG A 94 -0.173 -10.333 -5.543 1.00 21.35 O ATOM 1441 CB ARG A 94 2.404 -10.594 -3.891 1.00 22.14 C ATOM 1442 CG ARG A 94 3.430 -9.826 -3.074 1.00 45.31 C ATOM 1443 CD ARG A 94 4.768 -9.746 -3.793 1.00 42.12 C ATOM 1444 NE ARG A 94 5.800 -9.136 -2.960 1.00 73.12 N ATOM 1445 CZ ARG A 94 6.457 -9.788 -2.007 1.00 50.25 C ATOM 1446 NH1 ARG A 94 6.189 -11.064 -1.767 1.00 45.02 N ATOM 1447 NH2 ARG A 94 7.382 -9.163 -1.291 1.00 34.41 N ATOM 0 H ARG A 94 1.761 -8.209 -4.366 1.00 53.45 H new ATOM 0 HA ARG A 94 3.062 -10.292 -5.914 1.00 3.54 H new ATOM 0 HB2 ARG A 94 1.450 -10.584 -3.363 1.00 22.14 H new ATOM 0 HB3 ARG A 94 2.717 -11.636 -3.965 1.00 22.14 H new ATOM 0 HG2 ARG A 94 3.061 -8.820 -2.877 1.00 45.31 H new ATOM 0 HG3 ARG A 94 3.564 -10.311 -2.107 1.00 45.31 H new ATOM 0 HD2 ARG A 94 5.083 -10.748 -4.085 1.00 42.12 H new ATOM 0 HD3 ARG A 94 4.653 -9.168 -4.710 1.00 42.12 H new ATOM 0 HE ARG A 94 6.029 -8.155 -3.118 1.00 73.12 H new ATOM 0 HH11 ARG A 94 5.477 -11.547 -2.315 1.00 45.02 H new ATOM 0 HH12 ARG A 94 6.695 -11.562 -1.035 1.00 45.02 H new ATOM 0 HH21 ARG A 94 7.590 -8.181 -1.472 1.00 34.41 H new ATOM 0 HH22 ARG A 94 7.886 -9.664 -0.560 1.00 34.41 H new ATOM 1461 N VAL A 95 1.162 -11.537 -6.898 1.00 44.31 N ATOM 1462 CA VAL A 95 0.057 -12.200 -7.579 1.00 32.34 C ATOM 1463 C VAL A 95 0.148 -13.715 -7.428 1.00 4.52 C ATOM 1464 O VAL A 95 1.215 -14.303 -7.603 1.00 25.30 O ATOM 1465 CB VAL A 95 0.027 -11.845 -9.078 1.00 34.42 C ATOM 1466 CG1 VAL A 95 -1.076 -12.614 -9.787 1.00 24.43 C ATOM 1467 CG2 VAL A 95 -0.150 -10.346 -9.267 1.00 74.21 C ATOM 0 H VAL A 95 2.087 -11.811 -7.229 1.00 44.31 H new ATOM 0 HA VAL A 95 -0.861 -11.846 -7.111 1.00 32.34 H new ATOM 0 HB VAL A 95 0.980 -12.134 -9.521 1.00 34.42 H new ATOM 0 HG11 VAL A 95 -1.082 -12.350 -10.845 1.00 24.43 H new ATOM 0 HG12 VAL A 95 -0.899 -13.684 -9.681 1.00 24.43 H new ATOM 0 HG13 VAL A 95 -2.039 -12.360 -9.345 1.00 24.43 H new ATOM 0 HG21 VAL A 95 -0.169 -10.113 -10.332 1.00 74.21 H new ATOM 0 HG22 VAL A 95 -1.088 -10.030 -8.810 1.00 74.21 H new ATOM 0 HG23 VAL A 95 0.680 -9.819 -8.795 1.00 74.21 H new ATOM 1477 N ARG A 96 -0.979 -14.340 -7.103 1.00 64.03 N ATOM 1478 CA ARG A 96 -1.027 -15.787 -6.928 1.00 51.34 C ATOM 1479 C ARG A 96 -2.198 -16.389 -7.697 1.00 44.32 C ATOM 1480 O ARG A 96 -3.340 -15.949 -7.556 1.00 62.04 O ATOM 1481 CB ARG A 96 -1.142 -16.138 -5.444 1.00 64.05 C ATOM 1482 CG ARG A 96 0.180 -16.528 -4.806 1.00 73.24 C ATOM 1483 CD ARG A 96 0.408 -18.030 -4.868 1.00 61.34 C ATOM 1484 NE ARG A 96 -0.469 -18.755 -3.952 1.00 73.02 N ATOM 1485 CZ ARG A 96 -0.202 -19.970 -3.485 1.00 35.25 C ATOM 1486 NH1 ARG A 96 0.912 -20.593 -3.847 1.00 3.54 N ATOM 1487 NH2 ARG A 96 -1.048 -20.564 -2.655 1.00 70.04 N ATOM 0 H ARG A 96 -1.871 -13.867 -6.956 1.00 64.03 H new ATOM 0 HA ARG A 96 -0.102 -16.207 -7.323 1.00 51.34 H new ATOM 0 HB2 ARG A 96 -1.556 -15.284 -4.908 1.00 64.05 H new ATOM 0 HB3 ARG A 96 -1.848 -16.960 -5.328 1.00 64.05 H new ATOM 0 HG2 ARG A 96 0.996 -16.014 -5.314 1.00 73.24 H new ATOM 0 HG3 ARG A 96 0.194 -16.199 -3.767 1.00 73.24 H new ATOM 0 HD2 ARG A 96 0.238 -18.381 -5.886 1.00 61.34 H new ATOM 0 HD3 ARG A 96 1.448 -18.249 -4.624 1.00 61.34 H new ATOM 0 HE ARG A 96 -1.334 -18.304 -3.654 1.00 73.02 H new ATOM 0 HH11 ARG A 96 1.566 -20.139 -4.485 1.00 3.54 H new ATOM 0 HH12 ARG A 96 1.115 -21.526 -3.487 1.00 3.54 H new ATOM 0 HH21 ARG A 96 -1.905 -20.088 -2.374 1.00 70.04 H new ATOM 0 HH22 ARG A 96 -0.842 -21.497 -2.297 1.00 70.04 H new ATOM 1501 N VAL A 97 -1.909 -17.398 -8.512 1.00 0.01 N ATOM 1502 CA VAL A 97 -2.938 -18.061 -9.305 1.00 60.35 C ATOM 1503 C VAL A 97 -3.451 -19.313 -8.601 1.00 10.44 C ATOM 1504 O VAL A 97 -3.030 -19.629 -7.488 1.00 41.02 O ATOM 1505 CB VAL A 97 -2.411 -18.448 -10.699 1.00 45.32 C ATOM 1506 CG1 VAL A 97 -1.848 -17.229 -11.413 1.00 5.33 C ATOM 1507 CG2 VAL A 97 -1.362 -19.543 -10.586 1.00 2.13 C ATOM 0 H VAL A 97 -0.970 -17.775 -8.641 1.00 0.01 H new ATOM 0 HA VAL A 97 -3.757 -17.350 -9.420 1.00 60.35 H new ATOM 0 HB VAL A 97 -3.242 -18.833 -11.290 1.00 45.32 H new ATOM 0 HG11 VAL A 97 -1.480 -17.521 -12.397 1.00 5.33 H new ATOM 0 HG12 VAL A 97 -2.631 -16.480 -11.526 1.00 5.33 H new ATOM 0 HG13 VAL A 97 -1.028 -16.811 -10.828 1.00 5.33 H new ATOM 0 HG21 VAL A 97 -1.000 -19.804 -11.580 1.00 2.13 H new ATOM 0 HG22 VAL A 97 -0.529 -19.188 -9.979 1.00 2.13 H new ATOM 0 HG23 VAL A 97 -1.803 -20.423 -10.118 1.00 2.13 H new ATOM 1517 N TYR A 98 -4.360 -20.024 -9.258 1.00 11.45 N ATOM 1518 CA TYR A 98 -4.932 -21.241 -8.695 1.00 3.12 C ATOM 1519 C TYR A 98 -3.876 -22.336 -8.580 1.00 42.10 C ATOM 1520 O TYR A 98 -3.303 -22.550 -7.513 1.00 61.10 O ATOM 1521 CB TYR A 98 -6.097 -21.729 -9.559 1.00 32.02 C ATOM 1522 CG TYR A 98 -6.626 -23.085 -9.151 1.00 51.51 C ATOM 1523 CD1 TYR A 98 -7.060 -23.321 -7.852 1.00 35.11 C ATOM 1524 CD2 TYR A 98 -6.695 -24.129 -10.064 1.00 24.23 C ATOM 1525 CE1 TYR A 98 -7.544 -24.559 -7.475 1.00 55.25 C ATOM 1526 CE2 TYR A 98 -7.180 -25.369 -9.696 1.00 33.44 C ATOM 1527 CZ TYR A 98 -7.602 -25.580 -8.399 1.00 3.45 C ATOM 1528 OH TYR A 98 -8.085 -26.813 -8.029 1.00 73.44 O ATOM 0 H TYR A 98 -4.717 -19.778 -10.181 1.00 11.45 H new ATOM 0 HA TYR A 98 -5.301 -21.011 -7.696 1.00 3.12 H new ATOM 0 HB2 TYR A 98 -6.907 -21.001 -9.507 1.00 32.02 H new ATOM 0 HB3 TYR A 98 -5.774 -21.772 -10.599 1.00 32.02 H new ATOM 0 HD1 TYR A 98 -7.018 -22.523 -7.125 1.00 35.11 H new ATOM 0 HD2 TYR A 98 -6.364 -23.969 -11.079 1.00 24.23 H new ATOM 0 HE1 TYR A 98 -7.875 -24.726 -6.461 1.00 55.25 H new ATOM 0 HE2 TYR A 98 -7.229 -26.169 -10.420 1.00 33.44 H new ATOM 0 HH TYR A 98 -8.059 -27.419 -8.799 1.00 73.44 H new ATOM 1538 N GLN A 99 -3.624 -23.025 -9.689 1.00 44.24 N ATOM 1539 CA GLN A 99 -2.638 -24.098 -9.713 1.00 30.31 C ATOM 1540 C GLN A 99 -1.244 -23.563 -9.397 1.00 20.41 C ATOM 1541 O GLN A 99 -0.892 -22.452 -9.791 1.00 73.11 O ATOM 1542 CB GLN A 99 -2.634 -24.787 -11.078 1.00 4.43 C ATOM 1543 CG GLN A 99 -1.750 -26.022 -11.136 1.00 22.30 C ATOM 1544 CD GLN A 99 -2.423 -27.248 -10.551 1.00 31.40 C ATOM 1545 OE1 GLN A 99 -2.878 -28.129 -11.282 1.00 43.34 O ATOM 1546 NE2 GLN A 99 -2.488 -27.314 -9.227 1.00 53.31 N ATOM 0 H GLN A 99 -4.089 -22.859 -10.582 1.00 44.24 H new ATOM 0 HA GLN A 99 -2.912 -24.825 -8.948 1.00 30.31 H new ATOM 0 HB2 GLN A 99 -3.655 -25.069 -11.336 1.00 4.43 H new ATOM 0 HB3 GLN A 99 -2.300 -24.076 -11.833 1.00 4.43 H new ATOM 0 HG2 GLN A 99 -1.478 -26.221 -12.172 1.00 22.30 H new ATOM 0 HG3 GLN A 99 -0.824 -25.827 -10.595 1.00 22.30 H new ATOM 0 HE21 GLN A 99 -2.098 -26.562 -8.659 1.00 53.31 H new ATOM 0 HE22 GLN A 99 -2.928 -28.117 -8.777 1.00 53.31 H new ATOM 1555 N ILE A 100 -0.457 -24.362 -8.683 1.00 23.41 N ATOM 1556 CA ILE A 100 0.897 -23.969 -8.315 1.00 3.21 C ATOM 1557 C ILE A 100 1.922 -24.964 -8.848 1.00 33.21 C ATOM 1558 O ILE A 100 1.604 -26.111 -9.165 1.00 12.21 O ATOM 1559 CB ILE A 100 1.055 -23.855 -6.788 1.00 51.54 C ATOM 1560 CG1 ILE A 100 -0.052 -24.638 -6.079 1.00 0.21 C ATOM 1561 CG2 ILE A 100 1.035 -22.395 -6.361 1.00 63.23 C ATOM 1562 CD1 ILE A 100 0.079 -24.639 -4.572 1.00 63.51 C ATOM 0 H ILE A 100 -0.734 -25.285 -8.348 1.00 23.41 H new ATOM 0 HA ILE A 100 1.075 -22.992 -8.764 1.00 3.21 H new ATOM 0 HB ILE A 100 2.016 -24.283 -6.504 1.00 51.54 H new ATOM 0 HG12 ILE A 100 -1.018 -24.213 -6.351 1.00 0.21 H new ATOM 0 HG13 ILE A 100 -0.044 -25.667 -6.437 1.00 0.21 H new ATOM 0 HG21 ILE A 100 1.148 -22.331 -5.279 1.00 63.23 H new ATOM 0 HG22 ILE A 100 1.855 -21.864 -6.843 1.00 63.23 H new ATOM 0 HG23 ILE A 100 0.088 -21.943 -6.655 1.00 63.23 H new ATOM 0 HD11 ILE A 100 -0.739 -25.212 -4.136 1.00 63.51 H new ATOM 0 HD12 ILE A 100 1.030 -25.091 -4.290 1.00 63.51 H new ATOM 0 HD13 ILE A 100 0.041 -23.614 -4.203 1.00 63.51 H new ATOM 1574 N PRO A 101 3.183 -24.518 -8.949 1.00 32.35 N ATOM 1575 CA PRO A 101 4.282 -25.355 -9.441 1.00 10.03 C ATOM 1576 C PRO A 101 4.648 -26.465 -8.461 1.00 35.25 C ATOM 1577 O PRO A 101 4.960 -26.204 -7.300 1.00 14.23 O ATOM 1578 CB PRO A 101 5.442 -24.367 -9.588 1.00 51.42 C ATOM 1579 CG PRO A 101 5.132 -23.274 -8.624 1.00 34.44 C ATOM 1580 CD PRO A 101 3.634 -23.163 -8.590 1.00 64.23 C ATOM 0 HA PRO A 101 4.021 -25.868 -10.367 1.00 10.03 H new ATOM 0 HB2 PRO A 101 6.397 -24.840 -9.357 1.00 51.42 H new ATOM 0 HB3 PRO A 101 5.512 -23.988 -10.607 1.00 51.42 H new ATOM 0 HG2 PRO A 101 5.529 -23.502 -7.635 1.00 34.44 H new ATOM 0 HG3 PRO A 101 5.586 -22.335 -8.940 1.00 34.44 H new ATOM 0 HD2 PRO A 101 3.275 -22.868 -7.604 1.00 64.23 H new ATOM 0 HD3 PRO A 101 3.270 -22.418 -9.297 1.00 64.23 H new