USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 79 THR OG1 : rot 104:sc= 1.24 USER MOD Set 1.2: A 95 TYR OH : rot 30:sc= 0.115 USER MOD Set 2.1: A 67 SER OG : rot 180:sc= -0.11 USER MOD Set 2.2: A 72 HIS : no HE2:sc= -5.67! C(o=-5.8!,f=-6.1!) USER MOD Set 3.1: A 32 THR OG1 : rot -133:sc= -0.0728 USER MOD Set 3.2: A 36 GLN : amide:sc= -0.396 X(o=-0.93,f=-0.89) USER MOD Set 3.3: A 38 THR OG1 : rot -140:sc= -0.463 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00135) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 27 GLN : amide:sc= -3.96! K(o=-4!,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0.00902 X(o=0.009,f=-0.13) USER MOD Single : A 35 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.69) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.07 K(o=-2.1,f=-3.4!) USER MOD Single : A 51 ASN : amide:sc=-0.000149 X(o=-0.00015,f=-0.18) USER MOD Single : A 57 GLN : amide:sc= -4.38 K(o=-4.4,f=-3.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 73:sc= -0.232 USER MOD Single : A 75 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4.7!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.717 K(o=-0.72,f=0.075) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot -152:sc= 0.784 USER MOD Single : A 107 CYS SG : rot 180:sc=-0.00146 USER MOD Single : A 108 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.59) USER MOD Single : A 109 GLN : amide:sc= -3.39 K(o=-3.4,f=-6.5!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.32) USER MOD Single : A 116 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.3!) USER MOD Single : A 117 ASN : amide:sc= -0.814 K(o=-0.81,f=-3.9!) USER MOD Single : A 118 MET CE :methyl -152:sc= -0.0844 (180deg=-0.582) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.661 -7.689 3.820 1.00 12.35 N ATOM 2 CA MET A 1 -0.335 -8.088 2.833 1.00 62.14 C ATOM 3 C MET A 1 0.219 -7.954 1.418 1.00 62.33 C ATOM 4 O MET A 1 0.111 -8.876 0.608 1.00 4.24 O ATOM 5 CB MET A 1 -1.599 -7.240 2.980 1.00 55.21 C ATOM 6 CG MET A 1 -2.403 -7.559 4.230 1.00 2.43 C ATOM 7 SD MET A 1 -4.154 -7.812 3.885 1.00 73.11 S ATOM 8 CE MET A 1 -4.549 -9.100 5.065 1.00 72.30 C ATOM 0 H1 MET A 1 0.268 -7.804 4.776 1.00 12.35 H new ATOM 0 H2 MET A 1 1.508 -8.285 3.719 1.00 12.35 H new ATOM 0 H3 MET A 1 0.919 -6.693 3.670 1.00 12.35 H new ATOM 0 HA MET A 1 -0.586 -9.134 3.009 1.00 62.14 H new ATOM 0 HB2 MET A 1 -1.320 -6.186 2.997 1.00 55.21 H new ATOM 0 HB3 MET A 1 -2.230 -7.389 2.104 1.00 55.21 H new ATOM 0 HG2 MET A 1 -1.996 -8.455 4.700 1.00 2.43 H new ATOM 0 HG3 MET A 1 -2.292 -6.745 4.946 1.00 2.43 H new ATOM 0 HE1 MET A 1 -5.602 -9.366 4.974 1.00 72.30 H new ATOM 0 HE2 MET A 1 -3.934 -9.978 4.865 1.00 72.30 H new ATOM 0 HE3 MET A 1 -4.351 -8.741 6.075 1.00 72.30 H new ATOM 18 N VAL A 2 0.812 -6.801 1.126 1.00 63.14 N ATOM 19 CA VAL A 2 1.384 -6.547 -0.192 1.00 31.45 C ATOM 20 C VAL A 2 0.514 -7.144 -1.292 1.00 61.13 C ATOM 21 O VAL A 2 0.777 -8.245 -1.777 1.00 45.01 O ATOM 22 CB VAL A 2 2.807 -7.126 -0.307 1.00 12.44 C ATOM 23 CG1 VAL A 2 2.844 -8.558 0.203 1.00 21.20 C ATOM 24 CG2 VAL A 2 3.298 -7.050 -1.744 1.00 54.45 C ATOM 0 H VAL A 2 0.909 -6.028 1.784 1.00 63.14 H new ATOM 0 HA VAL A 2 1.429 -5.465 -0.315 1.00 31.45 H new ATOM 0 HB VAL A 2 3.475 -6.528 0.313 1.00 12.44 H new ATOM 0 HG11 VAL A 2 3.857 -8.950 0.114 1.00 21.20 H new ATOM 0 HG12 VAL A 2 2.537 -8.580 1.249 1.00 21.20 H new ATOM 0 HG13 VAL A 2 2.164 -9.172 -0.387 1.00 21.20 H new ATOM 0 HG21 VAL A 2 4.305 -7.463 -1.807 1.00 54.45 H new ATOM 0 HG22 VAL A 2 2.630 -7.622 -2.388 1.00 54.45 H new ATOM 0 HG23 VAL A 2 3.312 -6.010 -2.069 1.00 54.45 H new ATOM 34 N ILE A 3 -0.523 -6.410 -1.683 1.00 24.44 N ATOM 35 CA ILE A 3 -1.430 -6.867 -2.728 1.00 15.43 C ATOM 36 C ILE A 3 -1.396 -5.933 -3.932 1.00 45.55 C ATOM 37 O ILE A 3 -1.096 -4.744 -3.819 1.00 43.22 O ATOM 38 CB ILE A 3 -2.878 -6.967 -2.212 1.00 11.33 C ATOM 39 CG1 ILE A 3 -3.347 -5.612 -1.678 1.00 53.53 C ATOM 40 CG2 ILE A 3 -2.983 -8.032 -1.131 1.00 23.41 C ATOM 41 CD1 ILE A 3 -3.015 -5.388 -0.220 1.00 21.34 C ATOM 0 H ILE A 3 -0.755 -5.497 -1.292 1.00 24.44 H new ATOM 0 HA ILE A 3 -1.090 -7.858 -3.030 1.00 15.43 H new ATOM 0 HB ILE A 3 -3.524 -7.254 -3.042 1.00 11.33 H new ATOM 0 HG12 ILE A 3 -2.891 -4.820 -2.272 1.00 53.53 H new ATOM 0 HG13 ILE A 3 -4.426 -5.531 -1.813 1.00 53.53 H new ATOM 0 HG21 ILE A 3 -4.012 -8.091 -0.777 1.00 23.41 H new ATOM 0 HG22 ILE A 3 -2.685 -8.997 -1.541 1.00 23.41 H new ATOM 0 HG23 ILE A 3 -2.327 -7.773 -0.300 1.00 23.41 H new ATOM 0 HD11 ILE A 3 -3.377 -4.408 0.089 1.00 21.34 H new ATOM 0 HD12 ILE A 3 -3.493 -6.159 0.385 1.00 21.34 H new ATOM 0 HD13 ILE A 3 -1.935 -5.436 -0.081 1.00 21.34 H new ATOM 53 N PRO A 4 -1.711 -6.481 -5.115 1.00 51.54 N ATOM 54 CA PRO A 4 -1.726 -5.713 -6.364 1.00 65.55 C ATOM 55 C PRO A 4 -2.871 -4.708 -6.414 1.00 42.01 C ATOM 56 O PRO A 4 -3.626 -4.565 -5.453 1.00 4.12 O ATOM 57 CB PRO A 4 -1.911 -6.788 -7.439 1.00 24.24 C ATOM 58 CG PRO A 4 -2.593 -7.911 -6.737 1.00 74.21 C ATOM 59 CD PRO A 4 -2.079 -7.891 -5.324 1.00 64.14 C ATOM 0 HA PRO A 4 -0.821 -5.118 -6.487 1.00 65.55 H new ATOM 0 HB2 PRO A 4 -2.511 -6.418 -8.270 1.00 24.24 H new ATOM 0 HB3 PRO A 4 -0.953 -7.103 -7.853 1.00 24.24 H new ATOM 0 HG2 PRO A 4 -3.675 -7.785 -6.760 1.00 74.21 H new ATOM 0 HG3 PRO A 4 -2.372 -8.864 -7.219 1.00 74.21 H new ATOM 0 HD2 PRO A 4 -2.840 -8.217 -4.615 1.00 64.14 H new ATOM 0 HD3 PRO A 4 -1.222 -8.553 -5.199 1.00 64.14 H new ATOM 67 N ALA A 5 -2.994 -4.014 -7.541 1.00 35.02 N ATOM 68 CA ALA A 5 -4.050 -3.024 -7.716 1.00 44.31 C ATOM 69 C ALA A 5 -4.547 -3.001 -9.157 1.00 41.35 C ATOM 70 O ALA A 5 -4.333 -2.030 -9.883 1.00 21.42 O ATOM 71 CB ALA A 5 -3.553 -1.645 -7.305 1.00 34.41 C ATOM 0 H ALA A 5 -2.376 -4.119 -8.346 1.00 35.02 H new ATOM 0 HA ALA A 5 -4.886 -3.303 -7.075 1.00 44.31 H new ATOM 0 HB1 ALA A 5 -4.351 -0.915 -7.441 1.00 34.41 H new ATOM 0 HB2 ALA A 5 -3.253 -1.664 -6.257 1.00 34.41 H new ATOM 0 HB3 ALA A 5 -2.699 -1.367 -7.922 1.00 34.41 H new ATOM 77 N GLY A 6 -5.212 -4.077 -9.567 1.00 24.12 N ATOM 78 CA GLY A 6 -5.728 -4.160 -10.920 1.00 50.25 C ATOM 79 C GLY A 6 -5.299 -5.430 -11.628 1.00 13.00 C ATOM 80 O GLY A 6 -5.956 -6.465 -11.515 1.00 31.25 O ATOM 0 H GLY A 6 -5.402 -4.893 -8.985 1.00 24.12 H new ATOM 0 HA2 GLY A 6 -6.817 -4.113 -10.894 1.00 50.25 H new ATOM 0 HA3 GLY A 6 -5.385 -3.297 -11.490 1.00 50.25 H new ATOM 84 N LYS A 7 -4.195 -5.352 -12.362 1.00 63.23 N ATOM 85 CA LYS A 7 -3.678 -6.504 -13.092 1.00 50.23 C ATOM 86 C LYS A 7 -2.397 -7.025 -12.450 1.00 24.12 C ATOM 87 O LYS A 7 -1.745 -6.319 -11.679 1.00 21.32 O ATOM 88 CB LYS A 7 -3.414 -6.131 -14.553 1.00 23.11 C ATOM 89 CG LYS A 7 -4.509 -6.583 -15.504 1.00 2.34 C ATOM 90 CD LYS A 7 -4.578 -8.098 -15.595 1.00 10.10 C ATOM 91 CE LYS A 7 -3.747 -8.625 -16.755 1.00 3.14 C ATOM 92 NZ LYS A 7 -4.580 -8.889 -17.960 1.00 15.02 N ATOM 0 H LYS A 7 -3.640 -4.503 -12.468 1.00 63.23 H new ATOM 0 HA LYS A 7 -4.429 -7.293 -13.055 1.00 50.23 H new ATOM 0 HB2 LYS A 7 -3.303 -5.049 -14.629 1.00 23.11 H new ATOM 0 HB3 LYS A 7 -2.468 -6.572 -14.866 1.00 23.11 H new ATOM 0 HG2 LYS A 7 -5.469 -6.194 -15.166 1.00 2.34 H new ATOM 0 HG3 LYS A 7 -4.327 -6.166 -16.494 1.00 2.34 H new ATOM 0 HD2 LYS A 7 -4.222 -8.536 -14.663 1.00 10.10 H new ATOM 0 HD3 LYS A 7 -5.615 -8.409 -15.718 1.00 10.10 H new ATOM 0 HE2 LYS A 7 -2.970 -7.902 -17.002 1.00 3.14 H new ATOM 0 HE3 LYS A 7 -3.244 -9.544 -16.453 1.00 3.14 H new ATOM 0 HZ1 LYS A 7 -3.976 -9.247 -18.728 1.00 15.02 H new ATOM 0 HZ2 LYS A 7 -5.306 -9.598 -17.732 1.00 15.02 H new ATOM 0 HZ3 LYS A 7 -5.040 -8.007 -18.264 1.00 15.02 H new ATOM 106 N LEU A 8 -2.040 -8.263 -12.773 1.00 24.22 N ATOM 107 CA LEU A 8 -0.834 -8.879 -12.228 1.00 53.31 C ATOM 108 C LEU A 8 -0.915 -8.982 -10.708 1.00 61.34 C ATOM 109 O LEU A 8 -1.747 -8.332 -10.076 1.00 63.32 O ATOM 110 CB LEU A 8 0.401 -8.071 -12.631 1.00 30.32 C ATOM 111 CG LEU A 8 0.993 -7.166 -11.550 1.00 32.01 C ATOM 112 CD1 LEU A 8 2.138 -7.866 -10.836 1.00 24.24 C ATOM 113 CD2 LEU A 8 1.463 -5.851 -12.154 1.00 50.03 C ATOM 0 H LEU A 8 -2.568 -8.860 -13.409 1.00 24.22 H new ATOM 0 HA LEU A 8 -0.752 -9.886 -12.638 1.00 53.31 H new ATOM 0 HB2 LEU A 8 1.174 -8.766 -12.958 1.00 30.32 H new ATOM 0 HB3 LEU A 8 0.142 -7.454 -13.491 1.00 30.32 H new ATOM 0 HG LEU A 8 0.215 -6.949 -10.819 1.00 32.01 H new ATOM 0 HD11 LEU A 8 2.547 -7.207 -10.070 1.00 24.24 H new ATOM 0 HD12 LEU A 8 1.771 -8.780 -10.369 1.00 24.24 H new ATOM 0 HD13 LEU A 8 2.918 -8.114 -11.556 1.00 24.24 H new ATOM 0 HD21 LEU A 8 1.881 -5.220 -11.370 1.00 50.03 H new ATOM 0 HD22 LEU A 8 2.226 -6.049 -12.907 1.00 50.03 H new ATOM 0 HD23 LEU A 8 0.619 -5.342 -12.618 1.00 50.03 H new ATOM 125 N GLU A 9 -0.044 -9.802 -10.129 1.00 65.42 N ATOM 126 CA GLU A 9 -0.016 -9.989 -8.683 1.00 71.33 C ATOM 127 C GLU A 9 1.394 -9.788 -8.135 1.00 53.53 C ATOM 128 O GLU A 9 2.360 -10.342 -8.659 1.00 40.34 O ATOM 129 CB GLU A 9 -0.522 -11.386 -8.318 1.00 32.24 C ATOM 130 CG GLU A 9 0.261 -12.509 -8.977 1.00 33.22 C ATOM 131 CD GLU A 9 0.769 -13.530 -7.978 1.00 23.41 C ATOM 132 OE1 GLU A 9 1.277 -13.119 -6.914 1.00 15.32 O ATOM 133 OE2 GLU A 9 0.659 -14.742 -8.261 1.00 4.11 O ATOM 0 H GLU A 9 0.651 -10.347 -10.639 1.00 65.42 H new ATOM 0 HA GLU A 9 -0.671 -9.243 -8.233 1.00 71.33 H new ATOM 0 HB2 GLU A 9 -0.476 -11.509 -7.236 1.00 32.24 H new ATOM 0 HB3 GLU A 9 -1.571 -11.469 -8.604 1.00 32.24 H new ATOM 0 HG2 GLU A 9 -0.373 -13.008 -9.710 1.00 33.22 H new ATOM 0 HG3 GLU A 9 1.106 -12.087 -9.521 1.00 33.22 H new ATOM 140 N ARG A 10 1.503 -8.990 -7.078 1.00 14.12 N ATOM 141 CA ARG A 10 2.793 -8.713 -6.459 1.00 45.04 C ATOM 142 C ARG A 10 3.100 -9.729 -5.363 1.00 10.33 C ATOM 143 O ARG A 10 2.192 -10.312 -4.770 1.00 52.25 O ATOM 144 CB ARG A 10 2.812 -7.298 -5.878 1.00 55.04 C ATOM 145 CG ARG A 10 3.496 -6.280 -6.775 1.00 45.14 C ATOM 146 CD ARG A 10 2.574 -5.807 -7.888 1.00 34.52 C ATOM 147 NE ARG A 10 2.770 -4.394 -8.199 1.00 20.13 N ATOM 148 CZ ARG A 10 2.295 -3.404 -7.451 1.00 25.24 C ATOM 149 NH1 ARG A 10 1.601 -3.672 -6.354 1.00 32.34 N ATOM 150 NH2 ARG A 10 2.516 -2.143 -7.799 1.00 70.13 N ATOM 0 H ARG A 10 0.713 -8.524 -6.632 1.00 14.12 H new ATOM 0 HA ARG A 10 3.561 -8.792 -7.229 1.00 45.04 H new ATOM 0 HB2 ARG A 10 1.787 -6.976 -5.694 1.00 55.04 H new ATOM 0 HB3 ARG A 10 3.318 -7.317 -4.913 1.00 55.04 H new ATOM 0 HG2 ARG A 10 3.816 -5.425 -6.179 1.00 45.14 H new ATOM 0 HG3 ARG A 10 4.394 -6.721 -7.208 1.00 45.14 H new ATOM 0 HD2 ARG A 10 2.751 -6.403 -8.783 1.00 34.52 H new ATOM 0 HD3 ARG A 10 1.537 -5.973 -7.595 1.00 34.52 H new ATOM 0 HE ARG A 10 3.301 -4.154 -9.036 1.00 20.13 H new ATOM 0 HH11 ARG A 10 1.430 -4.640 -6.082 1.00 32.34 H new ATOM 0 HH12 ARG A 10 1.238 -2.910 -5.782 1.00 32.34 H new ATOM 0 HH21 ARG A 10 3.051 -1.933 -8.642 1.00 70.13 H new ATOM 0 HH22 ARG A 10 2.151 -1.384 -7.224 1.00 70.13 H new ATOM 164 N VAL A 11 4.386 -9.936 -5.098 1.00 0.24 N ATOM 165 CA VAL A 11 4.813 -10.880 -4.072 1.00 72.21 C ATOM 166 C VAL A 11 5.761 -10.220 -3.077 1.00 73.13 C ATOM 167 O VAL A 11 6.048 -9.027 -3.176 1.00 0.02 O ATOM 168 CB VAL A 11 5.509 -12.106 -4.693 1.00 5.32 C ATOM 169 CG1 VAL A 11 4.643 -12.717 -5.783 1.00 63.15 C ATOM 170 CG2 VAL A 11 6.876 -11.721 -5.239 1.00 23.33 C ATOM 0 H VAL A 11 5.150 -9.463 -5.580 1.00 0.24 H new ATOM 0 HA VAL A 11 3.914 -11.207 -3.549 1.00 72.21 H new ATOM 0 HB VAL A 11 5.651 -12.855 -3.914 1.00 5.32 H new ATOM 0 HG11 VAL A 11 5.151 -13.582 -6.210 1.00 63.15 H new ATOM 0 HG12 VAL A 11 3.690 -13.030 -5.357 1.00 63.15 H new ATOM 0 HG13 VAL A 11 4.466 -11.978 -6.564 1.00 63.15 H new ATOM 0 HG21 VAL A 11 7.354 -12.598 -5.674 1.00 23.33 H new ATOM 0 HG22 VAL A 11 6.759 -10.954 -6.005 1.00 23.33 H new ATOM 0 HG23 VAL A 11 7.495 -11.334 -4.430 1.00 23.33 H new ATOM 180 N ASP A 12 6.244 -11.004 -2.120 1.00 10.23 N ATOM 181 CA ASP A 12 7.162 -10.496 -1.107 1.00 32.04 C ATOM 182 C ASP A 12 8.203 -11.549 -0.740 1.00 34.15 C ATOM 183 O ASP A 12 8.033 -12.741 -0.997 1.00 62.03 O ATOM 184 CB ASP A 12 6.390 -10.067 0.142 1.00 11.12 C ATOM 185 CG ASP A 12 6.323 -8.560 0.292 1.00 52.20 C ATOM 186 OD1 ASP A 12 6.034 -7.876 -0.712 1.00 41.34 O ATOM 187 OD2 ASP A 12 6.558 -8.064 1.414 1.00 62.43 O ATOM 0 H ASP A 12 6.015 -11.993 -2.024 1.00 10.23 H new ATOM 0 HA ASP A 12 7.678 -9.630 -1.521 1.00 32.04 H new ATOM 0 HB2 ASP A 12 5.378 -10.470 0.096 1.00 11.12 H new ATOM 0 HB3 ASP A 12 6.865 -10.496 1.024 1.00 11.12 H new ATOM 192 N PRO A 13 9.307 -11.101 -0.124 1.00 52.10 N ATOM 193 CA PRO A 13 10.397 -11.988 0.291 1.00 23.30 C ATOM 194 C PRO A 13 9.999 -12.893 1.452 1.00 14.32 C ATOM 195 O PRO A 13 10.770 -13.755 1.875 1.00 12.32 O ATOM 196 CB PRO A 13 11.499 -11.018 0.723 1.00 4.21 C ATOM 197 CG PRO A 13 10.778 -9.775 1.114 1.00 14.25 C ATOM 198 CD PRO A 13 9.576 -9.693 0.215 1.00 74.23 C ATOM 0 HA PRO A 13 10.696 -12.666 -0.508 1.00 23.30 H new ATOM 0 HB2 PRO A 13 12.076 -11.420 1.556 1.00 4.21 H new ATOM 0 HB3 PRO A 13 12.201 -10.829 -0.089 1.00 4.21 H new ATOM 0 HG2 PRO A 13 10.480 -9.810 2.162 1.00 14.25 H new ATOM 0 HG3 PRO A 13 11.416 -8.899 0.993 1.00 14.25 H new ATOM 0 HD2 PRO A 13 8.727 -9.232 0.720 1.00 74.23 H new ATOM 0 HD3 PRO A 13 9.780 -9.097 -0.675 1.00 74.23 H new ATOM 206 N THR A 14 8.788 -12.692 1.965 1.00 45.43 N ATOM 207 CA THR A 14 8.288 -13.488 3.077 1.00 34.35 C ATOM 208 C THR A 14 8.500 -14.977 2.827 1.00 4.05 C ATOM 209 O THR A 14 9.340 -15.611 3.468 1.00 75.53 O ATOM 210 CB THR A 14 6.789 -13.230 3.324 1.00 43.20 C ATOM 211 OG1 THR A 14 6.557 -11.828 3.504 1.00 21.44 O ATOM 212 CG2 THR A 14 6.303 -13.991 4.548 1.00 71.32 C ATOM 0 H THR A 14 8.136 -11.984 1.627 1.00 45.43 H new ATOM 0 HA THR A 14 8.852 -13.186 3.960 1.00 34.35 H new ATOM 0 HB THR A 14 6.234 -13.581 2.454 1.00 43.20 H new ATOM 0 HG1 THR A 14 5.602 -11.672 3.659 1.00 21.44 H new ATOM 0 HG21 THR A 14 5.242 -13.793 4.702 1.00 71.32 H new ATOM 0 HG22 THR A 14 6.454 -15.060 4.396 1.00 71.32 H new ATOM 0 HG23 THR A 14 6.864 -13.666 5.425 1.00 71.32 H new ATOM 220 N THR A 15 7.736 -15.531 1.891 1.00 14.54 N ATOM 221 CA THR A 15 7.840 -16.945 1.557 1.00 62.10 C ATOM 222 C THR A 15 7.447 -17.198 0.106 1.00 41.41 C ATOM 223 O THR A 15 6.835 -18.217 -0.214 1.00 15.54 O ATOM 224 CB THR A 15 6.952 -17.807 2.475 1.00 43.52 C ATOM 225 OG1 THR A 15 5.571 -17.521 2.229 1.00 51.31 O ATOM 226 CG2 THR A 15 7.276 -17.548 3.939 1.00 62.35 C ATOM 0 H THR A 15 7.038 -15.021 1.350 1.00 14.54 H new ATOM 0 HA THR A 15 8.883 -17.227 1.703 1.00 62.10 H new ATOM 0 HB THR A 15 7.150 -18.856 2.255 1.00 43.52 H new ATOM 0 HG1 THR A 15 5.013 -18.074 2.815 1.00 51.31 H new ATOM 0 HG21 THR A 15 6.637 -18.167 4.568 1.00 62.35 H new ATOM 0 HG22 THR A 15 8.321 -17.794 4.129 1.00 62.35 H new ATOM 0 HG23 THR A 15 7.103 -16.497 4.170 1.00 62.35 H new ATOM 234 N VAL A 16 7.804 -16.264 -0.770 1.00 53.41 N ATOM 235 CA VAL A 16 7.490 -16.386 -2.189 1.00 34.04 C ATOM 236 C VAL A 16 8.460 -17.332 -2.887 1.00 31.33 C ATOM 237 O VAL A 16 8.130 -17.933 -3.910 1.00 12.44 O ATOM 238 CB VAL A 16 7.529 -15.017 -2.892 1.00 42.45 C ATOM 239 CG1 VAL A 16 8.962 -14.523 -3.021 1.00 64.41 C ATOM 240 CG2 VAL A 16 6.861 -15.100 -4.256 1.00 52.45 C ATOM 0 H VAL A 16 8.311 -15.414 -0.522 1.00 53.41 H new ATOM 0 HA VAL A 16 6.480 -16.791 -2.256 1.00 34.04 H new ATOM 0 HB VAL A 16 6.976 -14.300 -2.284 1.00 42.45 H new ATOM 0 HG11 VAL A 16 8.969 -13.554 -3.520 1.00 64.41 H new ATOM 0 HG12 VAL A 16 9.403 -14.423 -2.029 1.00 64.41 H new ATOM 0 HG13 VAL A 16 9.542 -15.237 -3.606 1.00 64.41 H new ATOM 0 HG21 VAL A 16 6.897 -14.124 -4.739 1.00 52.45 H new ATOM 0 HG22 VAL A 16 7.384 -15.830 -4.874 1.00 52.45 H new ATOM 0 HG23 VAL A 16 5.822 -15.406 -4.134 1.00 52.45 H new ATOM 250 N ARG A 17 9.658 -17.461 -2.327 1.00 3.03 N ATOM 251 CA ARG A 17 10.678 -18.334 -2.896 1.00 33.12 C ATOM 252 C ARG A 17 10.693 -19.685 -2.187 1.00 65.42 C ATOM 253 O ARG A 17 11.228 -20.663 -2.709 1.00 24.44 O ATOM 254 CB ARG A 17 12.056 -17.678 -2.795 1.00 52.54 C ATOM 255 CG ARG A 17 12.002 -16.163 -2.681 1.00 51.20 C ATOM 256 CD ARG A 17 13.371 -15.579 -2.370 1.00 11.43 C ATOM 257 NE ARG A 17 13.549 -15.334 -0.941 1.00 45.31 N ATOM 258 CZ ARG A 17 14.737 -15.271 -0.349 1.00 31.10 C ATOM 259 NH1 ARG A 17 15.845 -15.434 -1.059 1.00 32.31 N ATOM 260 NH2 ARG A 17 14.818 -15.044 0.956 1.00 71.51 N ATOM 0 H ARG A 17 9.946 -16.972 -1.480 1.00 3.03 H new ATOM 0 HA ARG A 17 10.437 -18.496 -3.947 1.00 33.12 H new ATOM 0 HB2 ARG A 17 12.578 -18.081 -1.927 1.00 52.54 H new ATOM 0 HB3 ARG A 17 12.643 -17.947 -3.673 1.00 52.54 H new ATOM 0 HG2 ARG A 17 11.628 -15.740 -3.613 1.00 51.20 H new ATOM 0 HG3 ARG A 17 11.298 -15.881 -1.898 1.00 51.20 H new ATOM 0 HD2 ARG A 17 14.145 -16.262 -2.720 1.00 11.43 H new ATOM 0 HD3 ARG A 17 13.500 -14.645 -2.917 1.00 11.43 H new ATOM 0 HE ARG A 17 12.716 -15.204 -0.366 1.00 45.31 H new ATOM 0 HH11 ARG A 17 15.787 -15.608 -2.062 1.00 32.31 H new ATOM 0 HH12 ARG A 17 16.755 -15.385 -0.602 1.00 32.31 H new ATOM 0 HH21 ARG A 17 13.968 -14.918 1.505 1.00 71.51 H new ATOM 0 HH22 ARG A 17 15.730 -14.996 1.410 1.00 71.51 H new ATOM 274 N GLN A 18 10.104 -19.730 -0.997 1.00 21.52 N ATOM 275 CA GLN A 18 10.052 -20.961 -0.217 1.00 31.41 C ATOM 276 C GLN A 18 8.682 -21.622 -0.333 1.00 1.31 C ATOM 277 O GLN A 18 8.559 -22.841 -0.220 1.00 44.14 O ATOM 278 CB GLN A 18 10.370 -20.673 1.251 1.00 32.55 C ATOM 279 CG GLN A 18 11.599 -19.801 1.448 1.00 13.41 C ATOM 280 CD GLN A 18 12.883 -20.505 1.058 1.00 23.05 C ATOM 281 OE1 GLN A 18 13.110 -21.657 1.429 1.00 72.45 O ATOM 282 NE2 GLN A 18 13.733 -19.815 0.307 1.00 10.41 N ATOM 0 H GLN A 18 9.656 -18.929 -0.552 1.00 21.52 H new ATOM 0 HA GLN A 18 10.800 -21.646 -0.616 1.00 31.41 H new ATOM 0 HB2 GLN A 18 9.511 -20.185 1.711 1.00 32.55 H new ATOM 0 HB3 GLN A 18 10.518 -21.618 1.774 1.00 32.55 H new ATOM 0 HG2 GLN A 18 11.493 -18.892 0.856 1.00 13.41 H new ATOM 0 HG3 GLN A 18 11.659 -19.496 2.493 1.00 13.41 H new ATOM 0 HE21 GLN A 18 13.505 -18.863 0.022 1.00 10.41 H new ATOM 0 HE22 GLN A 18 14.614 -20.237 0.015 1.00 10.41 H new ATOM 291 N GLU A 19 7.655 -20.808 -0.558 1.00 43.21 N ATOM 292 CA GLU A 19 6.294 -21.314 -0.688 1.00 21.41 C ATOM 293 C GLU A 19 5.598 -20.700 -1.899 1.00 42.00 C ATOM 294 O GLU A 19 5.650 -19.489 -2.110 1.00 72.13 O ATOM 295 CB GLU A 19 5.492 -21.016 0.581 1.00 62.24 C ATOM 296 CG GLU A 19 4.008 -21.315 0.447 1.00 24.21 C ATOM 297 CD GLU A 19 3.509 -22.277 1.508 1.00 3.53 C ATOM 298 OE1 GLU A 19 3.732 -23.496 1.356 1.00 44.25 O ATOM 299 OE2 GLU A 19 2.896 -21.810 2.491 1.00 73.23 O ATOM 0 H GLU A 19 7.740 -19.796 -0.654 1.00 43.21 H new ATOM 0 HA GLU A 19 6.347 -22.393 -0.830 1.00 21.41 H new ATOM 0 HB2 GLU A 19 5.899 -21.603 1.404 1.00 62.24 H new ATOM 0 HB3 GLU A 19 5.620 -19.966 0.844 1.00 62.24 H new ATOM 0 HG2 GLU A 19 3.446 -20.383 0.513 1.00 24.21 H new ATOM 0 HG3 GLU A 19 3.813 -21.735 -0.540 1.00 24.21 H new ATOM 306 N GLY A 20 4.947 -21.546 -2.692 1.00 43.54 N ATOM 307 CA GLY A 20 4.251 -21.068 -3.873 1.00 31.42 C ATOM 308 C GLY A 20 4.733 -21.742 -5.142 1.00 74.32 C ATOM 309 O GLY A 20 5.308 -22.830 -5.113 1.00 31.41 O ATOM 0 H GLY A 20 4.889 -22.553 -2.538 1.00 43.54 H new ATOM 0 HA2 GLY A 20 3.181 -21.243 -3.756 1.00 31.42 H new ATOM 0 HA3 GLY A 20 4.390 -19.991 -3.962 1.00 31.42 H new ATOM 313 N PRO A 21 4.496 -21.090 -6.290 1.00 15.21 N ATOM 314 CA PRO A 21 4.900 -21.615 -7.597 1.00 63.03 C ATOM 315 C PRO A 21 6.413 -21.598 -7.786 1.00 3.32 C ATOM 316 O PRO A 21 6.979 -22.485 -8.425 1.00 34.01 O ATOM 317 CB PRO A 21 4.227 -20.661 -8.587 1.00 1.42 C ATOM 318 CG PRO A 21 4.054 -19.389 -7.829 1.00 65.53 C ATOM 319 CD PRO A 21 3.815 -19.789 -6.400 1.00 13.35 C ATOM 0 HA PRO A 21 4.609 -22.658 -7.724 1.00 63.03 H new ATOM 0 HB2 PRO A 21 4.842 -20.513 -9.474 1.00 1.42 H new ATOM 0 HB3 PRO A 21 3.268 -21.054 -8.926 1.00 1.42 H new ATOM 0 HG2 PRO A 21 4.940 -18.760 -7.915 1.00 65.53 H new ATOM 0 HG3 PRO A 21 3.215 -18.813 -8.219 1.00 65.53 H new ATOM 0 HD2 PRO A 21 4.229 -19.059 -5.704 1.00 13.35 H new ATOM 0 HD3 PRO A 21 2.751 -19.873 -6.179 1.00 13.35 H new ATOM 327 N TRP A 22 7.063 -20.584 -7.226 1.00 12.41 N ATOM 328 CA TRP A 22 8.511 -20.452 -7.333 1.00 4.25 C ATOM 329 C TRP A 22 9.213 -21.265 -6.251 1.00 21.43 C ATOM 330 O TRP A 22 10.438 -21.388 -6.249 1.00 53.44 O ATOM 331 CB TRP A 22 8.919 -18.981 -7.228 1.00 25.44 C ATOM 332 CG TRP A 22 8.436 -18.147 -8.375 1.00 63.53 C ATOM 333 CD1 TRP A 22 8.959 -18.107 -9.636 1.00 62.03 C ATOM 334 CD2 TRP A 22 7.335 -17.233 -8.366 1.00 52.11 C ATOM 335 NE1 TRP A 22 8.249 -17.222 -10.412 1.00 20.35 N ATOM 336 CE2 TRP A 22 7.247 -16.674 -9.656 1.00 12.40 C ATOM 337 CE3 TRP A 22 6.413 -16.834 -7.395 1.00 10.43 C ATOM 338 CZ2 TRP A 22 6.275 -15.736 -9.996 1.00 31.41 C ATOM 339 CZ3 TRP A 22 5.449 -15.903 -7.734 1.00 22.14 C ATOM 340 CH2 TRP A 22 5.385 -15.363 -9.025 1.00 64.52 C ATOM 0 H TRP A 22 6.610 -19.841 -6.693 1.00 12.41 H new ATOM 0 HA TRP A 22 8.815 -20.838 -8.306 1.00 4.25 H new ATOM 0 HB2 TRP A 22 8.528 -18.568 -6.298 1.00 25.44 H new ATOM 0 HB3 TRP A 22 10.006 -18.916 -7.173 1.00 25.44 H new ATOM 0 HD1 TRP A 22 9.806 -18.686 -9.974 1.00 62.03 H new ATOM 0 HE1 TRP A 22 8.438 -17.008 -11.391 1.00 20.35 H new ATOM 0 HE3 TRP A 22 6.453 -17.246 -6.397 1.00 10.43 H new ATOM 0 HZ2 TRP A 22 6.225 -15.318 -10.990 1.00 31.41 H new ATOM 0 HZ3 TRP A 22 4.733 -15.586 -6.990 1.00 22.14 H new ATOM 0 HH2 TRP A 22 4.619 -14.639 -9.259 1.00 64.52 H new ATOM 351 N ALA A 23 8.430 -21.820 -5.332 1.00 34.23 N ATOM 352 CA ALA A 23 8.977 -22.624 -4.246 1.00 32.11 C ATOM 353 C ALA A 23 9.612 -23.905 -4.777 1.00 42.51 C ATOM 354 O ALA A 23 10.801 -24.150 -4.573 1.00 43.30 O ATOM 355 CB ALA A 23 7.890 -22.953 -3.233 1.00 51.21 C ATOM 0 H ALA A 23 7.414 -21.728 -5.318 1.00 34.23 H new ATOM 0 HA ALA A 23 9.755 -22.041 -3.752 1.00 32.11 H new ATOM 0 HB1 ALA A 23 8.313 -23.554 -2.428 1.00 51.21 H new ATOM 0 HB2 ALA A 23 7.484 -22.029 -2.822 1.00 51.21 H new ATOM 0 HB3 ALA A 23 7.093 -23.513 -3.723 1.00 51.21 H new ATOM 361 N ASP A 24 8.813 -24.718 -5.458 1.00 55.33 N ATOM 362 CA ASP A 24 9.297 -25.973 -6.019 1.00 62.53 C ATOM 363 C ASP A 24 9.311 -25.918 -7.544 1.00 22.12 C ATOM 364 O ASP A 24 8.420 -25.352 -8.177 1.00 73.30 O ATOM 365 CB ASP A 24 8.425 -27.138 -5.547 1.00 4.11 C ATOM 366 CG ASP A 24 9.246 -28.309 -5.044 1.00 4.12 C ATOM 367 OD1 ASP A 24 10.260 -28.070 -4.355 1.00 11.11 O ATOM 368 OD2 ASP A 24 8.876 -29.464 -5.340 1.00 31.52 O ATOM 0 H ASP A 24 7.826 -24.530 -5.635 1.00 55.33 H new ATOM 0 HA ASP A 24 10.318 -26.128 -5.669 1.00 62.53 H new ATOM 0 HB2 ASP A 24 7.763 -26.794 -4.752 1.00 4.11 H new ATOM 0 HB3 ASP A 24 7.790 -27.469 -6.369 1.00 4.11 H new ATOM 373 N PRO A 25 10.347 -26.518 -8.149 1.00 22.15 N ATOM 374 CA PRO A 25 10.503 -26.550 -9.606 1.00 32.22 C ATOM 375 C PRO A 25 9.466 -27.443 -10.280 1.00 2.41 C ATOM 376 O PRO A 25 9.369 -27.480 -11.506 1.00 62.31 O ATOM 377 CB PRO A 25 11.909 -27.123 -9.800 1.00 32.31 C ATOM 378 CG PRO A 25 12.165 -27.923 -8.569 1.00 43.33 C ATOM 379 CD PRO A 25 11.446 -27.212 -7.456 1.00 43.33 C ATOM 0 HA PRO A 25 10.364 -25.565 -10.053 1.00 32.22 H new ATOM 0 HB2 PRO A 25 11.964 -27.744 -10.694 1.00 32.31 H new ATOM 0 HB3 PRO A 25 12.647 -26.330 -9.917 1.00 32.31 H new ATOM 0 HG2 PRO A 25 11.797 -28.943 -8.683 1.00 43.33 H new ATOM 0 HG3 PRO A 25 13.233 -27.991 -8.363 1.00 43.33 H new ATOM 0 HD2 PRO A 25 11.072 -27.911 -6.708 1.00 43.33 H new ATOM 0 HD3 PRO A 25 12.101 -26.511 -6.938 1.00 43.33 H new ATOM 387 N ALA A 26 8.693 -28.159 -9.471 1.00 30.15 N ATOM 388 CA ALA A 26 7.662 -29.049 -9.989 1.00 72.22 C ATOM 389 C ALA A 26 6.475 -28.258 -10.530 1.00 23.51 C ATOM 390 O ALA A 26 5.743 -28.736 -11.396 1.00 64.13 O ATOM 391 CB ALA A 26 7.205 -30.015 -8.906 1.00 62.53 C ATOM 0 H ALA A 26 8.761 -28.140 -8.453 1.00 30.15 H new ATOM 0 HA ALA A 26 8.091 -29.620 -10.812 1.00 72.22 H new ATOM 0 HB1 ALA A 26 6.435 -30.674 -9.307 1.00 62.53 H new ATOM 0 HB2 ALA A 26 8.053 -30.611 -8.569 1.00 62.53 H new ATOM 0 HB3 ALA A 26 6.799 -29.453 -8.065 1.00 62.53 H new ATOM 397 N GLN A 27 6.291 -27.048 -10.012 1.00 63.23 N ATOM 398 CA GLN A 27 5.192 -26.193 -10.443 1.00 50.32 C ATOM 399 C GLN A 27 5.712 -24.989 -11.223 1.00 30.43 C ATOM 400 O GLN A 27 5.150 -23.897 -11.145 1.00 22.31 O ATOM 401 CB GLN A 27 4.381 -25.721 -9.235 1.00 2.00 C ATOM 402 CG GLN A 27 5.234 -25.399 -8.018 1.00 72.03 C ATOM 403 CD GLN A 27 5.209 -26.503 -6.980 1.00 22.22 C ATOM 404 OE1 GLN A 27 5.124 -26.241 -5.780 1.00 14.22 O ATOM 405 NE2 GLN A 27 5.284 -27.748 -7.437 1.00 3.23 N ATOM 0 H GLN A 27 6.888 -26.638 -9.294 1.00 63.23 H new ATOM 0 HA GLN A 27 4.547 -26.777 -11.099 1.00 50.32 H new ATOM 0 HB2 GLN A 27 3.811 -24.835 -9.514 1.00 2.00 H new ATOM 0 HB3 GLN A 27 3.659 -26.493 -8.968 1.00 2.00 H new ATOM 0 HG2 GLN A 27 6.263 -25.227 -8.335 1.00 72.03 H new ATOM 0 HG3 GLN A 27 4.880 -24.472 -7.566 1.00 72.03 H new ATOM 0 HE21 GLN A 27 5.353 -27.920 -8.440 1.00 3.23 H new ATOM 0 HE22 GLN A 27 5.272 -28.532 -6.785 1.00 3.23 H new ATOM 414 N ALA A 28 6.789 -25.197 -11.974 1.00 34.33 N ATOM 415 CA ALA A 28 7.383 -24.130 -12.769 1.00 22.04 C ATOM 416 C ALA A 28 6.457 -23.711 -13.905 1.00 63.04 C ATOM 417 O ALA A 28 5.910 -22.608 -13.900 1.00 21.35 O ATOM 418 CB ALA A 28 8.732 -24.570 -13.319 1.00 32.33 C ATOM 0 H ALA A 28 7.267 -26.095 -12.048 1.00 34.33 H new ATOM 0 HA ALA A 28 7.532 -23.267 -12.120 1.00 22.04 H new ATOM 0 HB1 ALA A 28 9.164 -23.763 -13.911 1.00 32.33 H new ATOM 0 HB2 ALA A 28 9.400 -24.812 -12.493 1.00 32.33 H new ATOM 0 HB3 ALA A 28 8.599 -25.450 -13.948 1.00 32.33 H new ATOM 424 N VAL A 29 6.286 -24.598 -14.881 1.00 4.12 N ATOM 425 CA VAL A 29 5.426 -24.320 -16.025 1.00 1.03 C ATOM 426 C VAL A 29 4.180 -25.198 -16.001 1.00 12.41 C ATOM 427 O VAL A 29 4.272 -26.423 -15.935 1.00 35.55 O ATOM 428 CB VAL A 29 6.171 -24.541 -17.354 1.00 63.53 C ATOM 429 CG1 VAL A 29 6.974 -25.833 -17.308 1.00 52.22 C ATOM 430 CG2 VAL A 29 5.192 -24.554 -18.518 1.00 34.20 C ATOM 0 H VAL A 29 6.732 -25.515 -14.902 1.00 4.12 H new ATOM 0 HA VAL A 29 5.131 -23.273 -15.953 1.00 1.03 H new ATOM 0 HB VAL A 29 6.866 -23.714 -17.502 1.00 63.53 H new ATOM 0 HG11 VAL A 29 7.494 -25.972 -18.256 1.00 52.22 H new ATOM 0 HG12 VAL A 29 7.703 -25.780 -16.499 1.00 52.22 H new ATOM 0 HG13 VAL A 29 6.302 -26.673 -17.136 1.00 52.22 H new ATOM 0 HG21 VAL A 29 5.736 -24.711 -19.449 1.00 34.20 H new ATOM 0 HG22 VAL A 29 4.471 -25.360 -18.378 1.00 34.20 H new ATOM 0 HG23 VAL A 29 4.666 -23.600 -18.562 1.00 34.20 H new ATOM 440 N VAL A 30 3.014 -24.562 -16.056 1.00 53.32 N ATOM 441 CA VAL A 30 1.747 -25.284 -16.043 1.00 25.23 C ATOM 442 C VAL A 30 0.701 -24.576 -16.896 1.00 2.54 C ATOM 443 O VAL A 30 0.739 -23.356 -17.055 1.00 3.24 O ATOM 444 CB VAL A 30 1.205 -25.440 -14.609 1.00 65.35 C ATOM 445 CG1 VAL A 30 0.371 -26.707 -14.489 1.00 4.52 C ATOM 446 CG2 VAL A 30 2.349 -25.447 -13.606 1.00 33.41 C ATOM 0 H VAL A 30 2.921 -23.548 -16.110 1.00 53.32 H new ATOM 0 HA VAL A 30 1.942 -26.272 -16.460 1.00 25.23 H new ATOM 0 HB VAL A 30 0.562 -24.588 -14.386 1.00 65.35 H new ATOM 0 HG11 VAL A 30 -0.004 -26.801 -13.470 1.00 4.52 H new ATOM 0 HG12 VAL A 30 -0.469 -26.656 -15.181 1.00 4.52 H new ATOM 0 HG13 VAL A 30 0.988 -27.573 -14.730 1.00 4.52 H new ATOM 0 HG21 VAL A 30 1.949 -25.558 -12.598 1.00 33.41 H new ATOM 0 HG22 VAL A 30 3.019 -26.279 -13.824 1.00 33.41 H new ATOM 0 HG23 VAL A 30 2.900 -24.509 -13.676 1.00 33.41 H new ATOM 456 N GLN A 31 -0.232 -25.349 -17.441 1.00 40.33 N ATOM 457 CA GLN A 31 -1.289 -24.794 -18.279 1.00 31.24 C ATOM 458 C GLN A 31 -2.305 -24.029 -17.437 1.00 42.50 C ATOM 459 O GLN A 31 -2.947 -24.595 -16.552 1.00 14.30 O ATOM 460 CB GLN A 31 -1.990 -25.909 -19.056 1.00 74.13 C ATOM 461 CG GLN A 31 -1.589 -25.974 -20.521 1.00 60.51 C ATOM 462 CD GLN A 31 -2.632 -25.368 -21.440 1.00 23.44 C ATOM 463 OE1 GLN A 31 -3.434 -26.082 -22.042 1.00 55.53 O ATOM 464 NE2 GLN A 31 -2.625 -24.045 -21.551 1.00 74.32 N ATOM 0 H GLN A 31 -0.278 -26.360 -17.318 1.00 40.33 H new ATOM 0 HA GLN A 31 -0.833 -24.100 -18.985 1.00 31.24 H new ATOM 0 HB2 GLN A 31 -1.766 -26.866 -18.584 1.00 74.13 H new ATOM 0 HB3 GLN A 31 -3.068 -25.765 -18.989 1.00 74.13 H new ATOM 0 HG2 GLN A 31 -0.642 -25.451 -20.658 1.00 60.51 H new ATOM 0 HG3 GLN A 31 -1.423 -27.014 -20.802 1.00 60.51 H new ATOM 0 HE21 GLN A 31 -1.941 -23.493 -21.033 1.00 74.32 H new ATOM 0 HE22 GLN A 31 -3.303 -23.580 -22.155 1.00 74.32 H new ATOM 473 N THR A 32 -2.445 -22.737 -17.718 1.00 53.31 N ATOM 474 CA THR A 32 -3.381 -21.893 -16.986 1.00 55.34 C ATOM 475 C THR A 32 -4.410 -21.271 -17.924 1.00 43.33 C ATOM 476 O THR A 32 -5.598 -21.216 -17.610 1.00 2.31 O ATOM 477 CB THR A 32 -2.650 -20.770 -16.227 1.00 51.43 C ATOM 478 OG1 THR A 32 -2.339 -19.696 -17.122 1.00 2.31 O ATOM 479 CG2 THR A 32 -1.372 -21.291 -15.589 1.00 23.32 C ATOM 0 H THR A 32 -1.922 -22.253 -18.447 1.00 53.31 H new ATOM 0 HA THR A 32 -3.890 -22.535 -16.267 1.00 55.34 H new ATOM 0 HB THR A 32 -3.309 -20.406 -15.438 1.00 51.43 H new ATOM 0 HG1 THR A 32 -1.408 -19.420 -16.990 1.00 2.31 H new ATOM 0 HG21 THR A 32 -0.873 -20.480 -15.059 1.00 23.32 H new ATOM 0 HG22 THR A 32 -1.615 -22.088 -14.887 1.00 23.32 H new ATOM 0 HG23 THR A 32 -0.710 -21.679 -16.364 1.00 23.32 H new ATOM 487 N GLY A 33 -3.945 -20.803 -19.079 1.00 24.31 N ATOM 488 CA GLY A 33 -4.838 -20.192 -20.045 1.00 41.34 C ATOM 489 C GLY A 33 -4.962 -21.007 -21.317 1.00 74.20 C ATOM 490 O GLY A 33 -4.532 -22.159 -21.386 1.00 43.52 O ATOM 0 H GLY A 33 -2.966 -20.836 -19.362 1.00 24.31 H new ATOM 0 HA2 GLY A 33 -5.824 -20.071 -19.597 1.00 41.34 H new ATOM 0 HA3 GLY A 33 -4.475 -19.194 -20.291 1.00 41.34 H new ATOM 494 N PRO A 34 -5.566 -20.406 -22.353 1.00 62.33 N ATOM 495 CA PRO A 34 -5.761 -21.067 -23.647 1.00 41.13 C ATOM 496 C PRO A 34 -4.450 -21.266 -24.400 1.00 61.20 C ATOM 497 O PRO A 34 -3.846 -20.307 -24.877 1.00 45.04 O ATOM 498 CB PRO A 34 -6.671 -20.098 -24.406 1.00 73.33 C ATOM 499 CG PRO A 34 -6.407 -18.768 -23.790 1.00 63.01 C ATOM 500 CD PRO A 34 -6.103 -19.035 -22.342 1.00 35.52 C ATOM 0 HA PRO A 34 -6.179 -22.067 -23.535 1.00 41.13 H new ATOM 0 HB2 PRO A 34 -6.442 -20.093 -25.472 1.00 73.33 H new ATOM 0 HB3 PRO A 34 -7.719 -20.379 -24.306 1.00 73.33 H new ATOM 0 HG2 PRO A 34 -5.569 -18.271 -24.279 1.00 63.01 H new ATOM 0 HG3 PRO A 34 -7.271 -18.112 -23.893 1.00 63.01 H new ATOM 0 HD2 PRO A 34 -5.379 -18.323 -21.946 1.00 35.52 H new ATOM 0 HD3 PRO A 34 -6.997 -18.959 -21.723 1.00 35.52 H new ATOM 508 N ASN A 35 -4.016 -22.518 -24.502 1.00 71.43 N ATOM 509 CA ASN A 35 -2.776 -22.843 -25.197 1.00 62.15 C ATOM 510 C ASN A 35 -1.632 -21.959 -24.710 1.00 64.32 C ATOM 511 O ASN A 35 -0.709 -21.652 -25.464 1.00 4.33 O ATOM 512 CB ASN A 35 -2.955 -22.678 -26.708 1.00 10.00 C ATOM 513 CG ASN A 35 -1.864 -23.373 -27.499 1.00 61.11 C ATOM 514 OD1 ASN A 35 -1.485 -24.504 -27.194 1.00 1.02 O ATOM 515 ND2 ASN A 35 -1.353 -22.698 -28.522 1.00 0.52 N ATOM 0 H ASN A 35 -4.505 -23.324 -24.112 1.00 71.43 H new ATOM 0 HA ASN A 35 -2.528 -23.882 -24.979 1.00 62.15 H new ATOM 0 HB2 ASN A 35 -3.925 -23.079 -27.002 1.00 10.00 H new ATOM 0 HB3 ASN A 35 -2.960 -21.617 -26.957 1.00 10.00 H new ATOM 0 HD21 ASN A 35 -0.616 -23.115 -29.091 1.00 0.52 H new ATOM 0 HD22 ASN A 35 -1.697 -21.763 -28.739 1.00 0.52 H new ATOM 522 N GLN A 36 -1.700 -21.556 -23.446 1.00 11.33 N ATOM 523 CA GLN A 36 -0.670 -20.707 -22.858 1.00 61.43 C ATOM 524 C GLN A 36 -0.176 -21.287 -21.537 1.00 2.21 C ATOM 525 O GLN A 36 -0.954 -21.477 -20.602 1.00 24.53 O ATOM 526 CB GLN A 36 -1.209 -19.293 -22.639 1.00 5.42 C ATOM 527 CG GLN A 36 -2.368 -19.228 -21.658 1.00 20.43 C ATOM 528 CD GLN A 36 -2.047 -18.401 -20.428 1.00 72.44 C ATOM 529 OE1 GLN A 36 -2.512 -17.270 -20.289 1.00 4.41 O ATOM 530 NE2 GLN A 36 -1.249 -18.963 -19.528 1.00 71.52 N ATOM 0 H GLN A 36 -2.457 -21.803 -22.809 1.00 11.33 H new ATOM 0 HA GLN A 36 0.170 -20.664 -23.551 1.00 61.43 H new ATOM 0 HB2 GLN A 36 -0.401 -18.657 -22.276 1.00 5.42 H new ATOM 0 HB3 GLN A 36 -1.531 -18.884 -23.597 1.00 5.42 H new ATOM 0 HG2 GLN A 36 -3.239 -18.805 -22.158 1.00 20.43 H new ATOM 0 HG3 GLN A 36 -2.636 -20.239 -21.351 1.00 20.43 H new ATOM 0 HE21 GLN A 36 -0.886 -19.903 -19.684 1.00 71.52 H new ATOM 0 HE22 GLN A 36 -0.999 -18.454 -18.680 1.00 71.52 H new ATOM 539 N TYR A 37 1.121 -21.565 -21.467 1.00 61.20 N ATOM 540 CA TYR A 37 1.719 -22.126 -20.261 1.00 14.21 C ATOM 541 C TYR A 37 2.296 -21.025 -19.376 1.00 54.34 C ATOM 542 O TYR A 37 2.861 -20.048 -19.869 1.00 2.23 O ATOM 543 CB TYR A 37 2.815 -23.128 -20.628 1.00 12.43 C ATOM 544 CG TYR A 37 2.377 -24.160 -21.642 1.00 41.54 C ATOM 545 CD1 TYR A 37 1.772 -25.344 -21.241 1.00 55.14 C ATOM 546 CD2 TYR A 37 2.568 -23.949 -23.003 1.00 23.44 C ATOM 547 CE1 TYR A 37 1.371 -26.290 -22.165 1.00 51.31 C ATOM 548 CE2 TYR A 37 2.169 -24.889 -23.934 1.00 24.15 C ATOM 549 CZ TYR A 37 1.572 -26.058 -23.510 1.00 13.32 C ATOM 550 OH TYR A 37 1.173 -26.997 -24.433 1.00 53.31 O ATOM 0 H TYR A 37 1.779 -21.411 -22.231 1.00 61.20 H new ATOM 0 HA TYR A 37 0.936 -22.642 -19.704 1.00 14.21 H new ATOM 0 HB2 TYR A 37 3.674 -22.586 -21.022 1.00 12.43 H new ATOM 0 HB3 TYR A 37 3.147 -23.638 -19.724 1.00 12.43 H new ATOM 0 HD1 TYR A 37 1.612 -25.529 -20.189 1.00 55.14 H new ATOM 0 HD2 TYR A 37 3.036 -23.035 -23.338 1.00 23.44 H new ATOM 0 HE1 TYR A 37 0.903 -27.206 -21.836 1.00 51.31 H new ATOM 0 HE2 TYR A 37 2.324 -24.709 -24.988 1.00 24.15 H new ATOM 0 HH TYR A 37 1.386 -26.680 -25.335 1.00 53.31 H new ATOM 560 N THR A 38 2.149 -21.190 -18.065 1.00 71.04 N ATOM 561 CA THR A 38 2.654 -20.212 -17.110 1.00 50.35 C ATOM 562 C THR A 38 3.986 -20.658 -16.518 1.00 71.14 C ATOM 563 O THR A 38 4.026 -21.482 -15.604 1.00 55.41 O ATOM 564 CB THR A 38 1.651 -19.974 -15.966 1.00 54.43 C ATOM 565 OG1 THR A 38 0.498 -19.284 -16.461 1.00 53.44 O ATOM 566 CG2 THR A 38 2.289 -19.166 -14.846 1.00 72.21 C ATOM 0 H THR A 38 1.684 -21.992 -17.641 1.00 71.04 H new ATOM 0 HA THR A 38 2.797 -19.281 -17.658 1.00 50.35 H new ATOM 0 HB THR A 38 1.351 -20.943 -15.568 1.00 54.43 H new ATOM 0 HG1 THR A 38 0.210 -18.615 -15.805 1.00 53.44 H new ATOM 0 HG21 THR A 38 1.561 -19.011 -14.049 1.00 72.21 H new ATOM 0 HG22 THR A 38 3.149 -19.707 -14.451 1.00 72.21 H new ATOM 0 HG23 THR A 38 2.614 -18.201 -15.234 1.00 72.21 H new ATOM 574 N VAL A 39 5.076 -20.109 -17.045 1.00 20.01 N ATOM 575 CA VAL A 39 6.411 -20.450 -16.567 1.00 13.42 C ATOM 576 C VAL A 39 6.786 -19.617 -15.347 1.00 5.45 C ATOM 577 O VAL A 39 6.632 -18.395 -15.344 1.00 61.03 O ATOM 578 CB VAL A 39 7.471 -20.240 -17.664 1.00 54.54 C ATOM 579 CG1 VAL A 39 8.796 -20.863 -17.253 1.00 51.34 C ATOM 580 CG2 VAL A 39 6.989 -20.816 -18.987 1.00 54.42 C ATOM 0 H VAL A 39 5.061 -19.426 -17.803 1.00 20.01 H new ATOM 0 HA VAL A 39 6.389 -21.504 -16.291 1.00 13.42 H new ATOM 0 HB VAL A 39 7.626 -19.169 -17.795 1.00 54.54 H new ATOM 0 HG11 VAL A 39 9.532 -20.704 -18.041 1.00 51.34 H new ATOM 0 HG12 VAL A 39 9.146 -20.399 -16.331 1.00 51.34 H new ATOM 0 HG13 VAL A 39 8.661 -21.933 -17.093 1.00 51.34 H new ATOM 0 HG21 VAL A 39 7.750 -20.659 -19.751 1.00 54.42 H new ATOM 0 HG22 VAL A 39 6.804 -21.884 -18.873 1.00 54.42 H new ATOM 0 HG23 VAL A 39 6.067 -20.318 -19.286 1.00 54.42 H new ATOM 590 N TYR A 40 7.281 -20.285 -14.311 1.00 11.14 N ATOM 591 CA TYR A 40 7.678 -19.607 -13.082 1.00 54.43 C ATOM 592 C TYR A 40 9.186 -19.699 -12.872 1.00 12.32 C ATOM 593 O TYR A 40 9.700 -20.722 -12.422 1.00 24.44 O ATOM 594 CB TYR A 40 6.946 -20.210 -11.882 1.00 61.54 C ATOM 595 CG TYR A 40 5.480 -19.847 -11.822 1.00 34.42 C ATOM 596 CD1 TYR A 40 5.077 -18.531 -11.634 1.00 1.20 C ATOM 597 CD2 TYR A 40 4.497 -20.821 -11.951 1.00 54.32 C ATOM 598 CE1 TYR A 40 3.738 -18.194 -11.577 1.00 64.32 C ATOM 599 CE2 TYR A 40 3.156 -20.493 -11.897 1.00 73.22 C ATOM 600 CZ TYR A 40 2.782 -19.179 -11.710 1.00 14.11 C ATOM 601 OH TYR A 40 1.447 -18.849 -11.654 1.00 52.21 O ATOM 0 H TYR A 40 7.417 -21.296 -14.298 1.00 11.14 H new ATOM 0 HA TYR A 40 7.406 -18.555 -13.173 1.00 54.43 H new ATOM 0 HB2 TYR A 40 7.042 -21.295 -11.917 1.00 61.54 H new ATOM 0 HB3 TYR A 40 7.432 -19.876 -10.965 1.00 61.54 H new ATOM 0 HD1 TYR A 40 5.823 -17.757 -11.531 1.00 1.20 H new ATOM 0 HD2 TYR A 40 4.786 -21.851 -12.096 1.00 54.32 H new ATOM 0 HE1 TYR A 40 3.442 -17.166 -11.429 1.00 64.32 H new ATOM 0 HE2 TYR A 40 2.405 -21.262 -12.001 1.00 73.22 H new ATOM 0 HH TYR A 40 0.905 -19.658 -11.766 1.00 52.21 H new ATOM 611 N VAL A 41 9.890 -18.620 -13.201 1.00 14.14 N ATOM 612 CA VAL A 41 11.339 -18.576 -13.047 1.00 32.34 C ATOM 613 C VAL A 41 11.733 -17.887 -11.745 1.00 74.01 C ATOM 614 O VAL A 41 11.260 -16.791 -11.442 1.00 54.34 O ATOM 615 CB VAL A 41 12.007 -17.844 -14.225 1.00 53.43 C ATOM 616 CG1 VAL A 41 11.729 -18.570 -15.532 1.00 72.34 C ATOM 617 CG2 VAL A 41 11.528 -16.401 -14.295 1.00 63.34 C ATOM 0 H VAL A 41 9.480 -17.765 -13.576 1.00 14.14 H new ATOM 0 HA VAL A 41 11.686 -19.609 -13.027 1.00 32.34 H new ATOM 0 HB VAL A 41 13.085 -17.838 -14.063 1.00 53.43 H new ATOM 0 HG11 VAL A 41 12.209 -18.038 -16.353 1.00 72.34 H new ATOM 0 HG12 VAL A 41 12.125 -19.584 -15.476 1.00 72.34 H new ATOM 0 HG13 VAL A 41 10.653 -18.609 -15.705 1.00 72.34 H new ATOM 0 HG21 VAL A 41 12.010 -15.898 -15.133 1.00 63.34 H new ATOM 0 HG22 VAL A 41 10.447 -16.383 -14.434 1.00 63.34 H new ATOM 0 HG23 VAL A 41 11.784 -15.887 -13.368 1.00 63.34 H new ATOM 627 N LEU A 42 12.602 -18.536 -10.978 1.00 52.21 N ATOM 628 CA LEU A 42 13.061 -17.985 -9.708 1.00 20.24 C ATOM 629 C LEU A 42 14.583 -17.889 -9.674 1.00 51.43 C ATOM 630 O LEU A 42 15.282 -18.796 -10.123 1.00 63.22 O ATOM 631 CB LEU A 42 12.568 -18.850 -8.546 1.00 70.34 C ATOM 632 CG LEU A 42 13.275 -18.641 -7.207 1.00 35.25 C ATOM 633 CD1 LEU A 42 12.970 -17.258 -6.653 1.00 2.03 C ATOM 634 CD2 LEU A 42 12.863 -19.718 -6.213 1.00 1.11 C ATOM 0 H LEU A 42 13.003 -19.444 -11.213 1.00 52.21 H new ATOM 0 HA LEU A 42 12.649 -16.981 -9.606 1.00 20.24 H new ATOM 0 HB2 LEU A 42 11.504 -18.662 -8.405 1.00 70.34 H new ATOM 0 HB3 LEU A 42 12.672 -19.897 -8.829 1.00 70.34 H new ATOM 0 HG LEU A 42 14.350 -18.716 -7.370 1.00 35.25 H new ATOM 0 HD11 LEU A 42 13.482 -17.127 -5.700 1.00 2.03 H new ATOM 0 HD12 LEU A 42 13.314 -16.500 -7.357 1.00 2.03 H new ATOM 0 HD13 LEU A 42 11.895 -17.154 -6.505 1.00 2.03 H new ATOM 0 HD21 LEU A 42 13.376 -19.554 -5.265 1.00 1.11 H new ATOM 0 HD22 LEU A 42 11.785 -19.674 -6.055 1.00 1.11 H new ATOM 0 HD23 LEU A 42 13.132 -20.698 -6.606 1.00 1.11 H new ATOM 646 N ALA A 43 15.089 -16.783 -9.137 1.00 71.15 N ATOM 647 CA ALA A 43 16.528 -16.570 -9.041 1.00 54.15 C ATOM 648 C ALA A 43 16.865 -15.597 -7.916 1.00 74.34 C ATOM 649 O ALA A 43 16.375 -14.468 -7.891 1.00 52.00 O ATOM 650 CB ALA A 43 17.075 -16.058 -10.366 1.00 31.23 C ATOM 0 H ALA A 43 14.524 -16.021 -8.762 1.00 71.15 H new ATOM 0 HA ALA A 43 16.998 -17.526 -8.812 1.00 54.15 H new ATOM 0 HB1 ALA A 43 18.151 -15.903 -10.280 1.00 31.23 H new ATOM 0 HB2 ALA A 43 16.875 -16.789 -11.149 1.00 31.23 H new ATOM 0 HB3 ALA A 43 16.592 -15.114 -10.619 1.00 31.23 H new ATOM 656 N PHE A 44 17.703 -16.043 -6.987 1.00 1.23 N ATOM 657 CA PHE A 44 18.104 -15.212 -5.857 1.00 42.14 C ATOM 658 C PHE A 44 19.567 -15.453 -5.497 1.00 62.21 C ATOM 659 O PHE A 44 20.063 -16.575 -5.590 1.00 65.44 O ATOM 660 CB PHE A 44 17.215 -15.498 -4.646 1.00 11.55 C ATOM 661 CG PHE A 44 17.180 -16.948 -4.256 1.00 5.42 C ATOM 662 CD1 PHE A 44 16.234 -17.802 -4.797 1.00 55.13 C ATOM 663 CD2 PHE A 44 18.095 -17.456 -3.347 1.00 72.45 C ATOM 664 CE1 PHE A 44 16.199 -19.137 -4.441 1.00 62.01 C ATOM 665 CE2 PHE A 44 18.066 -18.791 -2.988 1.00 13.51 C ATOM 666 CZ PHE A 44 17.116 -19.632 -3.534 1.00 40.43 C ATOM 0 H PHE A 44 18.118 -16.975 -6.994 1.00 1.23 H new ATOM 0 HA PHE A 44 17.987 -14.168 -6.146 1.00 42.14 H new ATOM 0 HB2 PHE A 44 17.569 -14.911 -3.799 1.00 11.55 H new ATOM 0 HB3 PHE A 44 16.200 -15.164 -4.863 1.00 11.55 H new ATOM 0 HD1 PHE A 44 15.514 -17.420 -5.506 1.00 55.13 H new ATOM 0 HD2 PHE A 44 18.838 -16.802 -2.915 1.00 72.45 H new ATOM 0 HE1 PHE A 44 15.456 -19.792 -4.871 1.00 62.01 H new ATOM 0 HE2 PHE A 44 18.786 -19.176 -2.281 1.00 13.51 H new ATOM 0 HZ PHE A 44 17.090 -20.674 -3.252 1.00 40.43 H new ATOM 676 N ALA A 45 20.252 -14.391 -5.086 1.00 31.13 N ATOM 677 CA ALA A 45 21.657 -14.487 -4.710 1.00 0.41 C ATOM 678 C ALA A 45 21.808 -14.916 -3.255 1.00 21.05 C ATOM 679 O ALA A 45 22.918 -14.967 -2.724 1.00 11.42 O ATOM 680 CB ALA A 45 22.358 -13.157 -4.945 1.00 51.14 C ATOM 0 H ALA A 45 19.857 -13.454 -5.005 1.00 31.13 H new ATOM 0 HA ALA A 45 22.124 -15.247 -5.336 1.00 0.41 H new ATOM 0 HB1 ALA A 45 23.407 -13.243 -4.660 1.00 51.14 H new ATOM 0 HB2 ALA A 45 22.289 -12.891 -6.000 1.00 51.14 H new ATOM 0 HB3 ALA A 45 21.881 -12.383 -4.344 1.00 51.14 H new ATOM 686 N PHE A 46 20.685 -15.224 -2.614 1.00 4.23 N ATOM 687 CA PHE A 46 20.693 -15.647 -1.218 1.00 61.33 C ATOM 688 C PHE A 46 20.502 -17.157 -1.107 1.00 60.11 C ATOM 689 O PHE A 46 19.440 -17.632 -0.707 1.00 51.31 O ATOM 690 CB PHE A 46 19.594 -14.924 -0.438 1.00 12.04 C ATOM 691 CG PHE A 46 19.748 -13.430 -0.431 1.00 15.13 C ATOM 692 CD1 PHE A 46 19.504 -12.690 -1.576 1.00 41.24 C ATOM 693 CD2 PHE A 46 20.136 -12.766 0.722 1.00 40.44 C ATOM 694 CE1 PHE A 46 19.644 -11.315 -1.573 1.00 43.33 C ATOM 695 CE2 PHE A 46 20.277 -11.391 0.731 1.00 44.23 C ATOM 696 CZ PHE A 46 20.032 -10.665 -0.418 1.00 45.44 C ATOM 0 H PHE A 46 19.758 -15.189 -3.039 1.00 4.23 H new ATOM 0 HA PHE A 46 21.662 -15.388 -0.791 1.00 61.33 H new ATOM 0 HB2 PHE A 46 18.626 -15.179 -0.869 1.00 12.04 H new ATOM 0 HB3 PHE A 46 19.591 -15.286 0.590 1.00 12.04 H new ATOM 0 HD1 PHE A 46 19.201 -13.193 -2.482 1.00 41.24 H new ATOM 0 HD2 PHE A 46 20.330 -13.329 1.623 1.00 40.44 H new ATOM 0 HE1 PHE A 46 19.450 -10.750 -2.473 1.00 43.33 H new ATOM 0 HE2 PHE A 46 20.579 -10.885 1.636 1.00 44.23 H new ATOM 0 HZ PHE A 46 20.144 -9.591 -0.413 1.00 45.44 H new ATOM 706 N GLY A 47 21.540 -17.907 -1.465 1.00 70.13 N ATOM 707 CA GLY A 47 21.467 -19.355 -1.400 1.00 12.03 C ATOM 708 C GLY A 47 21.561 -20.003 -2.767 1.00 0.12 C ATOM 709 O GLY A 47 22.321 -19.552 -3.624 1.00 51.32 O ATOM 0 H GLY A 47 22.430 -17.538 -1.799 1.00 70.13 H new ATOM 0 HA2 GLY A 47 22.273 -19.728 -0.768 1.00 12.03 H new ATOM 0 HA3 GLY A 47 20.530 -19.647 -0.927 1.00 12.03 H new ATOM 713 N TYR A 48 20.789 -21.064 -2.971 1.00 61.40 N ATOM 714 CA TYR A 48 20.792 -21.778 -4.242 1.00 72.24 C ATOM 715 C TYR A 48 19.452 -22.466 -4.484 1.00 32.53 C ATOM 716 O TYR A 48 18.781 -22.889 -3.542 1.00 63.23 O ATOM 717 CB TYR A 48 21.920 -22.811 -4.269 1.00 42.52 C ATOM 718 CG TYR A 48 22.701 -22.821 -5.564 1.00 0.40 C ATOM 719 CD1 TYR A 48 22.270 -23.569 -6.653 1.00 10.45 C ATOM 720 CD2 TYR A 48 23.870 -22.081 -5.699 1.00 33.11 C ATOM 721 CE1 TYR A 48 22.981 -23.581 -7.837 1.00 32.31 C ATOM 722 CE2 TYR A 48 24.586 -22.087 -6.880 1.00 41.41 C ATOM 723 CZ TYR A 48 24.138 -22.839 -7.946 1.00 11.41 C ATOM 724 OH TYR A 48 24.848 -22.847 -9.125 1.00 20.54 O ATOM 0 H TYR A 48 20.153 -21.449 -2.273 1.00 61.40 H new ATOM 0 HA TYR A 48 20.955 -21.051 -5.037 1.00 72.24 H new ATOM 0 HB2 TYR A 48 22.604 -22.612 -3.444 1.00 42.52 H new ATOM 0 HB3 TYR A 48 21.498 -23.802 -4.101 1.00 42.52 H new ATOM 0 HD1 TYR A 48 21.364 -24.151 -6.572 1.00 10.45 H new ATOM 0 HD2 TYR A 48 24.224 -21.491 -4.866 1.00 33.11 H new ATOM 0 HE1 TYR A 48 22.632 -24.169 -8.673 1.00 32.31 H new ATOM 0 HE2 TYR A 48 25.492 -21.506 -6.968 1.00 41.41 H new ATOM 0 HH TYR A 48 25.636 -22.272 -9.036 1.00 20.54 H new ATOM 734 N GLN A 49 19.070 -22.575 -5.752 1.00 53.00 N ATOM 735 CA GLN A 49 17.810 -23.212 -6.118 1.00 0.30 C ATOM 736 C GLN A 49 17.776 -23.535 -7.608 1.00 24.40 C ATOM 737 O GLN A 49 18.559 -23.010 -8.400 1.00 51.11 O ATOM 738 CB GLN A 49 16.632 -22.307 -5.754 1.00 10.51 C ATOM 739 CG GLN A 49 15.869 -22.767 -4.523 1.00 33.04 C ATOM 740 CD GLN A 49 14.499 -22.127 -4.412 1.00 10.23 C ATOM 741 OE1 GLN A 49 13.630 -22.342 -5.257 1.00 70.40 O ATOM 742 NE2 GLN A 49 14.299 -21.334 -3.365 1.00 73.04 N ATOM 0 H GLN A 49 19.614 -22.231 -6.543 1.00 53.00 H new ATOM 0 HA GLN A 49 17.728 -24.145 -5.560 1.00 0.30 H new ATOM 0 HB2 GLN A 49 17.001 -21.295 -5.586 1.00 10.51 H new ATOM 0 HB3 GLN A 49 15.946 -22.260 -6.600 1.00 10.51 H new ATOM 0 HG2 GLN A 49 15.758 -23.851 -4.553 1.00 33.04 H new ATOM 0 HG3 GLN A 49 16.449 -22.531 -3.631 1.00 33.04 H new ATOM 0 HE21 GLN A 49 15.048 -21.184 -2.689 1.00 73.04 H new ATOM 0 HE22 GLN A 49 13.397 -20.875 -3.238 1.00 73.04 H new ATOM 751 N PRO A 50 16.849 -24.422 -8.001 1.00 3.42 N ATOM 752 CA PRO A 50 16.691 -24.835 -9.398 1.00 64.12 C ATOM 753 C PRO A 50 16.136 -23.718 -10.274 1.00 54.42 C ATOM 754 O PRO A 50 15.514 -22.779 -9.779 1.00 11.14 O ATOM 755 CB PRO A 50 15.696 -25.995 -9.315 1.00 14.44 C ATOM 756 CG PRO A 50 14.924 -25.742 -8.066 1.00 15.41 C ATOM 757 CD PRO A 50 15.883 -25.088 -7.111 1.00 5.41 C ATOM 0 HA PRO A 50 17.644 -25.105 -9.853 1.00 64.12 H new ATOM 0 HB2 PRO A 50 15.042 -26.019 -10.187 1.00 14.44 H new ATOM 0 HB3 PRO A 50 16.210 -26.955 -9.275 1.00 14.44 H new ATOM 0 HG2 PRO A 50 14.067 -25.097 -8.261 1.00 15.41 H new ATOM 0 HG3 PRO A 50 14.535 -26.673 -7.652 1.00 15.41 H new ATOM 0 HD2 PRO A 50 15.378 -24.374 -6.460 1.00 5.41 H new ATOM 0 HD3 PRO A 50 16.369 -25.820 -6.466 1.00 5.41 H new ATOM 765 N ASN A 51 16.364 -23.826 -11.579 1.00 55.12 N ATOM 766 CA ASN A 51 15.885 -22.824 -12.524 1.00 40.34 C ATOM 767 C ASN A 51 15.184 -23.483 -13.708 1.00 35.11 C ATOM 768 O ASN A 51 15.654 -23.438 -14.845 1.00 5.25 O ATOM 769 CB ASN A 51 17.049 -21.964 -13.021 1.00 63.45 C ATOM 770 CG ASN A 51 17.237 -20.709 -12.191 1.00 64.51 C ATOM 771 OD1 ASN A 51 16.582 -19.694 -12.424 1.00 0.41 O ATOM 772 ND2 ASN A 51 18.137 -20.775 -11.216 1.00 53.41 N ATOM 0 H ASN A 51 16.877 -24.597 -12.006 1.00 55.12 H new ATOM 0 HA ASN A 51 15.166 -22.188 -12.007 1.00 40.34 H new ATOM 0 HB2 ASN A 51 17.967 -22.552 -12.999 1.00 63.45 H new ATOM 0 HB3 ASN A 51 16.874 -21.686 -14.060 1.00 63.45 H new ATOM 0 HD21 ASN A 51 18.308 -19.962 -10.624 1.00 53.41 H new ATOM 0 HD22 ASN A 51 18.657 -21.638 -11.059 1.00 53.41 H new ATOM 779 N PRO A 52 14.030 -24.111 -13.437 1.00 14.22 N ATOM 780 CA PRO A 52 13.238 -24.791 -14.466 1.00 55.31 C ATOM 781 C PRO A 52 12.590 -23.812 -15.440 1.00 31.12 C ATOM 782 O PRO A 52 11.793 -22.962 -15.042 1.00 1.13 O ATOM 783 CB PRO A 52 12.167 -25.530 -13.659 1.00 51.33 C ATOM 784 CG PRO A 52 12.038 -24.749 -12.397 1.00 30.21 C ATOM 785 CD PRO A 52 13.409 -24.205 -12.105 1.00 11.32 C ATOM 0 HA PRO A 52 13.851 -25.445 -15.086 1.00 55.31 H new ATOM 0 HB2 PRO A 52 11.221 -25.569 -14.199 1.00 51.33 H new ATOM 0 HB3 PRO A 52 12.462 -26.560 -13.459 1.00 51.33 H new ATOM 0 HG2 PRO A 52 11.314 -23.942 -12.510 1.00 30.21 H new ATOM 0 HG3 PRO A 52 11.687 -25.381 -11.581 1.00 30.21 H new ATOM 0 HD2 PRO A 52 13.359 -23.232 -11.615 1.00 11.32 H new ATOM 0 HD3 PRO A 52 13.971 -24.866 -11.445 1.00 11.32 H new ATOM 793 N ILE A 53 12.937 -23.938 -16.716 1.00 74.13 N ATOM 794 CA ILE A 53 12.387 -23.065 -17.746 1.00 62.33 C ATOM 795 C ILE A 53 11.879 -23.872 -18.936 1.00 55.23 C ATOM 796 O ILE A 53 12.621 -24.650 -19.533 1.00 60.52 O ATOM 797 CB ILE A 53 13.433 -22.048 -18.239 1.00 65.43 C ATOM 798 CG1 ILE A 53 14.451 -21.754 -17.135 1.00 31.41 C ATOM 799 CG2 ILE A 53 12.753 -20.766 -18.695 1.00 35.34 C ATOM 800 CD1 ILE A 53 13.849 -21.076 -15.924 1.00 62.11 C ATOM 0 H ILE A 53 13.596 -24.636 -17.062 1.00 74.13 H new ATOM 0 HA ILE A 53 11.555 -22.527 -17.293 1.00 62.33 H new ATOM 0 HB ILE A 53 13.962 -22.478 -19.090 1.00 65.43 H new ATOM 0 HG12 ILE A 53 14.918 -22.689 -16.824 1.00 31.41 H new ATOM 0 HG13 ILE A 53 15.242 -21.122 -17.540 1.00 31.41 H new ATOM 0 HG21 ILE A 53 13.506 -20.058 -19.040 1.00 35.34 H new ATOM 0 HG22 ILE A 53 12.064 -20.989 -19.510 1.00 35.34 H new ATOM 0 HG23 ILE A 53 12.201 -20.331 -17.862 1.00 35.34 H new ATOM 0 HD11 ILE A 53 14.627 -20.898 -15.182 1.00 62.11 H new ATOM 0 HD12 ILE A 53 13.407 -20.125 -16.222 1.00 62.11 H new ATOM 0 HD13 ILE A 53 13.078 -21.716 -15.495 1.00 62.11 H new ATOM 812 N GLU A 54 10.608 -23.678 -19.276 1.00 50.21 N ATOM 813 CA GLU A 54 10.001 -24.387 -20.396 1.00 73.01 C ATOM 814 C GLU A 54 9.258 -23.420 -21.314 1.00 20.21 C ATOM 815 O GLU A 54 8.283 -22.787 -20.909 1.00 2.22 O ATOM 816 CB GLU A 54 9.040 -25.463 -19.886 1.00 70.44 C ATOM 817 CG GLU A 54 8.901 -26.650 -20.826 1.00 1.52 C ATOM 818 CD GLU A 54 8.385 -27.891 -20.125 1.00 62.41 C ATOM 819 OE1 GLU A 54 9.211 -28.646 -19.570 1.00 34.12 O ATOM 820 OE2 GLU A 54 7.155 -28.108 -20.132 1.00 42.01 O ATOM 0 H GLU A 54 9.980 -23.036 -18.792 1.00 50.21 H new ATOM 0 HA GLU A 54 10.798 -24.863 -20.967 1.00 73.01 H new ATOM 0 HB2 GLU A 54 9.387 -25.818 -18.915 1.00 70.44 H new ATOM 0 HB3 GLU A 54 8.058 -25.017 -19.730 1.00 70.44 H new ATOM 0 HG2 GLU A 54 8.223 -26.388 -21.639 1.00 1.52 H new ATOM 0 HG3 GLU A 54 9.870 -26.868 -21.276 1.00 1.52 H new ATOM 827 N VAL A 55 9.727 -23.312 -22.553 1.00 53.31 N ATOM 828 CA VAL A 55 9.108 -22.423 -23.529 1.00 71.25 C ATOM 829 C VAL A 55 8.837 -23.151 -24.841 1.00 70.42 C ATOM 830 O VAL A 55 9.592 -23.043 -25.807 1.00 62.35 O ATOM 831 CB VAL A 55 9.993 -21.194 -23.811 1.00 21.55 C ATOM 832 CG1 VAL A 55 9.201 -20.122 -24.543 1.00 64.12 C ATOM 833 CG2 VAL A 55 10.573 -20.649 -22.514 1.00 42.45 C ATOM 0 H VAL A 55 10.533 -23.829 -22.904 1.00 53.31 H new ATOM 0 HA VAL A 55 8.163 -22.090 -23.099 1.00 71.25 H new ATOM 0 HB VAL A 55 10.819 -21.501 -24.452 1.00 21.55 H new ATOM 0 HG11 VAL A 55 9.843 -19.262 -24.733 1.00 64.12 H new ATOM 0 HG12 VAL A 55 8.838 -20.521 -25.490 1.00 64.12 H new ATOM 0 HG13 VAL A 55 8.354 -19.814 -23.931 1.00 64.12 H new ATOM 0 HG21 VAL A 55 11.196 -19.781 -22.730 1.00 42.45 H new ATOM 0 HG22 VAL A 55 9.762 -20.356 -21.847 1.00 42.45 H new ATOM 0 HG23 VAL A 55 11.177 -21.419 -22.034 1.00 42.45 H new ATOM 843 N PRO A 56 7.733 -23.912 -24.879 1.00 13.15 N ATOM 844 CA PRO A 56 7.335 -24.673 -26.067 1.00 4.31 C ATOM 845 C PRO A 56 6.871 -23.770 -27.205 1.00 32.04 C ATOM 846 O PRO A 56 5.922 -23.001 -27.050 1.00 61.55 O ATOM 847 CB PRO A 56 6.177 -25.538 -25.563 1.00 41.44 C ATOM 848 CG PRO A 56 5.620 -24.786 -24.404 1.00 74.50 C ATOM 849 CD PRO A 56 6.787 -24.087 -23.764 1.00 33.12 C ATOM 0 HA PRO A 56 8.164 -25.247 -26.480 1.00 4.31 H new ATOM 0 HB2 PRO A 56 5.425 -25.684 -26.339 1.00 41.44 H new ATOM 0 HB3 PRO A 56 6.523 -26.527 -25.264 1.00 41.44 H new ATOM 0 HG2 PRO A 56 4.867 -24.069 -24.730 1.00 74.50 H new ATOM 0 HG3 PRO A 56 5.134 -25.460 -23.699 1.00 74.50 H new ATOM 0 HD2 PRO A 56 6.494 -23.130 -23.331 1.00 33.12 H new ATOM 0 HD3 PRO A 56 7.220 -24.682 -22.959 1.00 33.12 H new ATOM 857 N GLN A 57 7.545 -23.869 -28.346 1.00 20.33 N ATOM 858 CA GLN A 57 7.200 -23.061 -29.509 1.00 42.30 C ATOM 859 C GLN A 57 5.847 -23.475 -30.078 1.00 64.24 C ATOM 860 O GLN A 57 5.404 -24.607 -29.890 1.00 33.02 O ATOM 861 CB GLN A 57 8.280 -23.189 -30.584 1.00 64.43 C ATOM 862 CG GLN A 57 8.250 -24.519 -31.321 1.00 42.21 C ATOM 863 CD GLN A 57 8.783 -25.663 -30.482 1.00 33.43 C ATOM 864 OE1 GLN A 57 8.031 -26.545 -30.065 1.00 72.22 O ATOM 865 NE2 GLN A 57 10.086 -25.656 -30.229 1.00 2.12 N ATOM 0 H GLN A 57 8.333 -24.501 -28.490 1.00 20.33 H new ATOM 0 HA GLN A 57 7.136 -22.020 -29.191 1.00 42.30 H new ATOM 0 HB2 GLN A 57 8.161 -22.381 -31.305 1.00 64.43 H new ATOM 0 HB3 GLN A 57 9.259 -23.061 -30.121 1.00 64.43 H new ATOM 0 HG2 GLN A 57 7.226 -24.740 -31.622 1.00 42.21 H new ATOM 0 HG3 GLN A 57 8.840 -24.438 -32.234 1.00 42.21 H new ATOM 0 HE21 GLN A 57 10.672 -24.906 -30.594 1.00 2.12 H new ATOM 0 HE22 GLN A 57 10.501 -26.401 -29.669 1.00 2.12 H new ATOM 874 N GLY A 58 5.196 -22.550 -30.776 1.00 54.31 N ATOM 875 CA GLY A 58 3.900 -22.838 -31.362 1.00 35.22 C ATOM 876 C GLY A 58 2.762 -22.637 -30.380 1.00 61.22 C ATOM 877 O GLY A 58 1.592 -22.724 -30.750 1.00 74.00 O ATOM 0 H GLY A 58 5.543 -21.606 -30.946 1.00 54.31 H new ATOM 0 HA2 GLY A 58 3.746 -22.195 -32.229 1.00 35.22 H new ATOM 0 HA3 GLY A 58 3.888 -23.867 -31.722 1.00 35.22 H new ATOM 881 N ALA A 59 3.106 -22.369 -29.125 1.00 23.42 N ATOM 882 CA ALA A 59 2.105 -22.155 -28.087 1.00 61.43 C ATOM 883 C ALA A 59 2.425 -20.912 -27.264 1.00 73.30 C ATOM 884 O ALA A 59 3.579 -20.494 -27.179 1.00 14.43 O ATOM 885 CB ALA A 59 2.010 -23.378 -27.186 1.00 15.50 C ATOM 0 H ALA A 59 4.071 -22.295 -28.802 1.00 23.42 H new ATOM 0 HA ALA A 59 1.141 -21.999 -28.572 1.00 61.43 H new ATOM 0 HB1 ALA A 59 1.259 -23.205 -26.415 1.00 15.50 H new ATOM 0 HB2 ALA A 59 1.726 -24.247 -27.780 1.00 15.50 H new ATOM 0 HB3 ALA A 59 2.977 -23.560 -26.716 1.00 15.50 H new ATOM 891 N GLU A 60 1.395 -20.327 -26.661 1.00 10.34 N ATOM 892 CA GLU A 60 1.568 -19.130 -25.846 1.00 33.05 C ATOM 893 C GLU A 60 2.419 -19.428 -24.615 1.00 32.44 C ATOM 894 O GLU A 60 2.324 -20.507 -24.028 1.00 71.01 O ATOM 895 CB GLU A 60 0.207 -18.577 -25.416 1.00 70.45 C ATOM 896 CG GLU A 60 -0.452 -17.700 -26.467 1.00 53.31 C ATOM 897 CD GLU A 60 -1.966 -17.784 -26.432 1.00 21.32 C ATOM 898 OE1 GLU A 60 -2.506 -18.875 -26.708 1.00 33.40 O ATOM 899 OE2 GLU A 60 -2.610 -16.758 -26.127 1.00 63.33 O ATOM 0 H GLU A 60 0.433 -20.662 -26.721 1.00 10.34 H new ATOM 0 HA GLU A 60 2.082 -18.382 -26.450 1.00 33.05 H new ATOM 0 HB2 GLU A 60 -0.456 -19.409 -25.181 1.00 70.45 H new ATOM 0 HB3 GLU A 60 0.331 -18.000 -24.499 1.00 70.45 H new ATOM 0 HG2 GLU A 60 -0.146 -16.665 -26.315 1.00 53.31 H new ATOM 0 HG3 GLU A 60 -0.098 -17.995 -27.455 1.00 53.31 H new ATOM 906 N ILE A 61 3.250 -18.466 -24.230 1.00 10.22 N ATOM 907 CA ILE A 61 4.117 -18.625 -23.069 1.00 42.21 C ATOM 908 C ILE A 61 4.033 -17.411 -22.150 1.00 24.01 C ATOM 909 O ILE A 61 4.259 -16.279 -22.577 1.00 12.51 O ATOM 910 CB ILE A 61 5.584 -18.838 -23.487 1.00 41.44 C ATOM 911 CG1 ILE A 61 5.660 -19.744 -24.718 1.00 41.40 C ATOM 912 CG2 ILE A 61 6.382 -19.431 -22.336 1.00 44.21 C ATOM 913 CD1 ILE A 61 5.079 -21.122 -24.491 1.00 0.44 C ATOM 0 H ILE A 61 3.341 -17.568 -24.705 1.00 10.22 H new ATOM 0 HA ILE A 61 3.769 -19.508 -22.533 1.00 42.21 H new ATOM 0 HB ILE A 61 6.017 -17.871 -23.743 1.00 41.44 H new ATOM 0 HG12 ILE A 61 5.131 -19.267 -25.543 1.00 41.40 H new ATOM 0 HG13 ILE A 61 6.702 -19.843 -25.022 1.00 41.40 H new ATOM 0 HG21 ILE A 61 7.417 -19.576 -22.647 1.00 44.21 H new ATOM 0 HG22 ILE A 61 6.351 -18.752 -21.484 1.00 44.21 H new ATOM 0 HG23 ILE A 61 5.951 -20.391 -22.051 1.00 44.21 H new ATOM 0 HD11 ILE A 61 5.167 -21.709 -25.405 1.00 0.44 H new ATOM 0 HD12 ILE A 61 5.623 -21.618 -23.687 1.00 0.44 H new ATOM 0 HD13 ILE A 61 4.028 -21.033 -24.217 1.00 0.44 H new ATOM 925 N VAL A 62 3.709 -17.655 -20.884 1.00 63.41 N ATOM 926 CA VAL A 62 3.599 -16.583 -19.903 1.00 14.14 C ATOM 927 C VAL A 62 4.717 -16.666 -18.870 1.00 0.51 C ATOM 928 O VAL A 62 4.599 -17.367 -17.865 1.00 75.32 O ATOM 929 CB VAL A 62 2.241 -16.624 -19.177 1.00 34.31 C ATOM 930 CG1 VAL A 62 2.252 -15.699 -17.969 1.00 70.43 C ATOM 931 CG2 VAL A 62 1.115 -16.254 -20.131 1.00 64.45 C ATOM 0 H VAL A 62 3.518 -18.586 -20.514 1.00 63.41 H new ATOM 0 HA VAL A 62 3.683 -15.644 -20.450 1.00 14.14 H new ATOM 0 HB VAL A 62 2.069 -17.641 -18.824 1.00 34.31 H new ATOM 0 HG11 VAL A 62 1.284 -15.742 -17.469 1.00 70.43 H new ATOM 0 HG12 VAL A 62 3.032 -16.014 -17.276 1.00 70.43 H new ATOM 0 HG13 VAL A 62 2.447 -14.677 -18.295 1.00 70.43 H new ATOM 0 HG21 VAL A 62 0.163 -16.288 -19.601 1.00 64.45 H new ATOM 0 HG22 VAL A 62 1.280 -15.248 -20.516 1.00 64.45 H new ATOM 0 HG23 VAL A 62 1.094 -16.961 -20.961 1.00 64.45 H new ATOM 941 N PHE A 63 5.803 -15.944 -19.123 1.00 45.55 N ATOM 942 CA PHE A 63 6.945 -15.935 -18.216 1.00 32.02 C ATOM 943 C PHE A 63 6.618 -15.167 -16.938 1.00 61.23 C ATOM 944 O PHE A 63 6.008 -14.099 -16.981 1.00 14.21 O ATOM 945 CB PHE A 63 8.163 -15.313 -18.901 1.00 4.13 C ATOM 946 CG PHE A 63 8.679 -16.121 -20.057 1.00 31.11 C ATOM 947 CD1 PHE A 63 8.085 -16.027 -21.305 1.00 14.21 C ATOM 948 CD2 PHE A 63 9.758 -16.976 -19.896 1.00 14.34 C ATOM 949 CE1 PHE A 63 8.557 -16.769 -22.371 1.00 53.12 C ATOM 950 CE2 PHE A 63 10.234 -17.720 -20.958 1.00 43.11 C ATOM 951 CZ PHE A 63 9.632 -17.617 -22.197 1.00 65.31 C ATOM 0 H PHE A 63 5.917 -15.357 -19.949 1.00 45.55 H new ATOM 0 HA PHE A 63 7.175 -16.967 -17.950 1.00 32.02 H new ATOM 0 HB2 PHE A 63 7.901 -14.315 -19.254 1.00 4.13 H new ATOM 0 HB3 PHE A 63 8.960 -15.193 -18.168 1.00 4.13 H new ATOM 0 HD1 PHE A 63 7.243 -15.366 -21.447 1.00 14.21 H new ATOM 0 HD2 PHE A 63 10.232 -17.061 -18.929 1.00 14.34 H new ATOM 0 HE1 PHE A 63 8.085 -16.685 -23.339 1.00 53.12 H new ATOM 0 HE2 PHE A 63 11.076 -18.382 -20.820 1.00 43.11 H new ATOM 0 HZ PHE A 63 10.002 -18.199 -23.028 1.00 65.31 H new ATOM 961 N LYS A 64 7.028 -15.720 -15.802 1.00 4.22 N ATOM 962 CA LYS A 64 6.781 -15.089 -14.511 1.00 3.13 C ATOM 963 C LYS A 64 8.052 -15.060 -13.667 1.00 51.02 C ATOM 964 O LYS A 64 8.415 -16.056 -13.041 1.00 33.12 O ATOM 965 CB LYS A 64 5.675 -15.833 -13.760 1.00 13.12 C ATOM 966 CG LYS A 64 4.375 -15.938 -14.539 1.00 65.44 C ATOM 967 CD LYS A 64 3.166 -15.816 -13.627 1.00 43.14 C ATOM 968 CE LYS A 64 2.134 -14.856 -14.197 1.00 55.41 C ATOM 969 NZ LYS A 64 0.942 -14.733 -13.312 1.00 4.23 N ATOM 0 H LYS A 64 7.533 -16.605 -15.749 1.00 4.22 H new ATOM 0 HA LYS A 64 6.462 -14.062 -14.692 1.00 3.13 H new ATOM 0 HB2 LYS A 64 6.025 -16.836 -13.516 1.00 13.12 H new ATOM 0 HB3 LYS A 64 5.483 -15.324 -12.816 1.00 13.12 H new ATOM 0 HG2 LYS A 64 4.340 -15.156 -15.297 1.00 65.44 H new ATOM 0 HG3 LYS A 64 4.341 -16.893 -15.064 1.00 65.44 H new ATOM 0 HD2 LYS A 64 2.713 -16.798 -13.487 1.00 43.14 H new ATOM 0 HD3 LYS A 64 3.484 -15.469 -12.644 1.00 43.14 H new ATOM 0 HE2 LYS A 64 2.588 -13.874 -14.334 1.00 55.41 H new ATOM 0 HE3 LYS A 64 1.821 -15.202 -15.182 1.00 55.41 H new ATOM 0 HZ1 LYS A 64 0.262 -14.070 -13.736 1.00 4.23 H new ATOM 0 HZ2 LYS A 64 0.494 -15.665 -13.202 1.00 4.23 H new ATOM 0 HZ3 LYS A 64 1.237 -14.378 -12.380 1.00 4.23 H new ATOM 983 N ILE A 65 8.722 -13.913 -13.655 1.00 3.13 N ATOM 984 CA ILE A 65 9.950 -13.755 -12.886 1.00 4.23 C ATOM 985 C ILE A 65 9.677 -13.080 -11.546 1.00 20.22 C ATOM 986 O ILE A 65 8.714 -12.326 -11.402 1.00 42.12 O ATOM 987 CB ILE A 65 10.997 -12.930 -13.659 1.00 34.31 C ATOM 988 CG1 ILE A 65 11.098 -13.421 -15.104 1.00 70.35 C ATOM 989 CG2 ILE A 65 12.350 -13.012 -12.970 1.00 24.54 C ATOM 990 CD1 ILE A 65 10.731 -12.369 -16.127 1.00 40.12 C ATOM 0 H ILE A 65 8.435 -13.080 -14.169 1.00 3.13 H new ATOM 0 HA ILE A 65 10.344 -14.756 -12.713 1.00 4.23 H new ATOM 0 HB ILE A 65 10.680 -11.887 -13.670 1.00 34.31 H new ATOM 0 HG12 ILE A 65 12.116 -13.761 -15.293 1.00 70.35 H new ATOM 0 HG13 ILE A 65 10.445 -14.284 -15.232 1.00 70.35 H new ATOM 0 HG21 ILE A 65 13.079 -12.424 -13.528 1.00 24.54 H new ATOM 0 HG22 ILE A 65 12.267 -12.619 -11.957 1.00 24.54 H new ATOM 0 HG23 ILE A 65 12.676 -14.051 -12.931 1.00 24.54 H new ATOM 0 HD11 ILE A 65 10.825 -12.787 -17.129 1.00 40.12 H new ATOM 0 HD12 ILE A 65 9.703 -12.046 -15.964 1.00 40.12 H new ATOM 0 HD13 ILE A 65 11.400 -11.514 -16.026 1.00 40.12 H new ATOM 1002 N THR A 66 10.532 -13.355 -10.565 1.00 60.15 N ATOM 1003 CA THR A 66 10.384 -12.775 -9.237 1.00 12.31 C ATOM 1004 C THR A 66 11.594 -13.085 -8.363 1.00 51.23 C ATOM 1005 O THR A 66 12.104 -14.205 -8.368 1.00 44.14 O ATOM 1006 CB THR A 66 9.113 -13.292 -8.536 1.00 42.05 C ATOM 1007 OG1 THR A 66 8.772 -12.433 -7.443 1.00 4.23 O ATOM 1008 CG2 THR A 66 9.315 -14.712 -8.029 1.00 10.31 C ATOM 0 H THR A 66 11.334 -13.976 -10.666 1.00 60.15 H new ATOM 0 HA THR A 66 10.303 -11.696 -9.371 1.00 12.31 H new ATOM 0 HB THR A 66 8.300 -13.295 -9.262 1.00 42.05 H new ATOM 0 HG1 THR A 66 8.416 -11.588 -7.790 1.00 4.23 H new ATOM 0 HG21 THR A 66 8.405 -15.056 -7.538 1.00 10.31 H new ATOM 0 HG22 THR A 66 9.545 -15.369 -8.868 1.00 10.31 H new ATOM 0 HG23 THR A 66 10.140 -14.730 -7.317 1.00 10.31 H new ATOM 1016 N SER A 67 12.048 -12.086 -7.613 1.00 41.13 N ATOM 1017 CA SER A 67 13.201 -12.252 -6.736 1.00 41.30 C ATOM 1018 C SER A 67 13.007 -11.483 -5.433 1.00 0.14 C ATOM 1019 O SER A 67 12.169 -10.587 -5.329 1.00 40.24 O ATOM 1020 CB SER A 67 14.475 -11.776 -7.437 1.00 52.43 C ATOM 1021 OG SER A 67 14.289 -11.707 -8.840 1.00 41.25 O ATOM 0 H SER A 67 11.635 -11.153 -7.595 1.00 41.13 H new ATOM 0 HA SER A 67 13.298 -13.312 -6.502 1.00 41.30 H new ATOM 0 HB2 SER A 67 14.759 -10.795 -7.056 1.00 52.43 H new ATOM 0 HB3 SER A 67 15.295 -12.456 -7.209 1.00 52.43 H new ATOM 0 HG SER A 67 15.117 -11.399 -9.265 1.00 41.25 H new ATOM 1027 N PRO A 68 13.800 -11.841 -4.412 1.00 2.31 N ATOM 1028 CA PRO A 68 13.736 -11.198 -3.096 1.00 52.41 C ATOM 1029 C PRO A 68 14.255 -9.764 -3.126 1.00 22.25 C ATOM 1030 O PRO A 68 13.580 -8.840 -2.672 1.00 2.11 O ATOM 1031 CB PRO A 68 14.639 -12.076 -2.227 1.00 65.13 C ATOM 1032 CG PRO A 68 15.590 -12.707 -3.186 1.00 12.42 C ATOM 1033 CD PRO A 68 14.821 -12.900 -4.464 1.00 24.42 C ATOM 0 HA PRO A 68 12.713 -11.122 -2.729 1.00 52.41 H new ATOM 0 HB2 PRO A 68 15.166 -11.484 -1.479 1.00 65.13 H new ATOM 0 HB3 PRO A 68 14.061 -12.828 -1.689 1.00 65.13 H new ATOM 0 HG2 PRO A 68 16.461 -12.072 -3.347 1.00 12.42 H new ATOM 0 HG3 PRO A 68 15.956 -13.660 -2.803 1.00 12.42 H new ATOM 0 HD2 PRO A 68 15.463 -12.796 -5.339 1.00 24.42 H new ATOM 0 HD3 PRO A 68 14.370 -13.891 -4.516 1.00 24.42 H new ATOM 1041 N ASP A 69 15.457 -9.586 -3.662 1.00 64.50 N ATOM 1042 CA ASP A 69 16.067 -8.265 -3.752 1.00 13.41 C ATOM 1043 C ASP A 69 17.098 -8.217 -4.875 1.00 53.23 C ATOM 1044 O ASP A 69 18.135 -7.565 -4.753 1.00 31.01 O ATOM 1045 CB ASP A 69 16.725 -7.891 -2.423 1.00 32.43 C ATOM 1046 CG ASP A 69 15.752 -7.244 -1.457 1.00 21.13 C ATOM 1047 OD1 ASP A 69 15.617 -6.003 -1.493 1.00 1.13 O ATOM 1048 OD2 ASP A 69 15.125 -7.979 -0.665 1.00 42.33 O ATOM 0 H ASP A 69 16.029 -10.341 -4.041 1.00 64.50 H new ATOM 0 HA ASP A 69 15.280 -7.544 -3.974 1.00 13.41 H new ATOM 0 HB2 ASP A 69 17.146 -8.786 -1.965 1.00 32.43 H new ATOM 0 HB3 ASP A 69 17.554 -7.209 -2.611 1.00 32.43 H new ATOM 1053 N VAL A 70 16.806 -8.912 -5.970 1.00 33.53 N ATOM 1054 CA VAL A 70 17.707 -8.950 -7.115 1.00 40.42 C ATOM 1055 C VAL A 70 16.932 -8.888 -8.427 1.00 10.34 C ATOM 1056 O VAL A 70 15.704 -8.802 -8.430 1.00 14.23 O ATOM 1057 CB VAL A 70 18.576 -10.221 -7.105 1.00 20.24 C ATOM 1058 CG1 VAL A 70 19.931 -9.937 -6.474 1.00 72.12 C ATOM 1059 CG2 VAL A 70 17.863 -11.347 -6.371 1.00 60.22 C ATOM 0 H VAL A 70 15.952 -9.457 -6.088 1.00 33.53 H new ATOM 0 HA VAL A 70 18.354 -8.076 -7.036 1.00 40.42 H new ATOM 0 HB VAL A 70 18.741 -10.536 -8.135 1.00 20.24 H new ATOM 0 HG11 VAL A 70 20.531 -10.847 -6.476 1.00 72.12 H new ATOM 0 HG12 VAL A 70 20.443 -9.163 -7.046 1.00 72.12 H new ATOM 0 HG13 VAL A 70 19.790 -9.597 -5.448 1.00 72.12 H new ATOM 0 HG21 VAL A 70 18.491 -12.238 -6.373 1.00 60.22 H new ATOM 0 HG22 VAL A 70 17.667 -11.044 -5.343 1.00 60.22 H new ATOM 0 HG23 VAL A 70 16.920 -11.567 -6.871 1.00 60.22 H new ATOM 1069 N ILE A 71 17.657 -8.932 -9.539 1.00 25.52 N ATOM 1070 CA ILE A 71 17.038 -8.883 -10.857 1.00 74.21 C ATOM 1071 C ILE A 71 17.798 -9.749 -11.855 1.00 64.51 C ATOM 1072 O ILE A 71 18.984 -10.028 -11.674 1.00 62.41 O ATOM 1073 CB ILE A 71 16.969 -7.441 -11.394 1.00 23.24 C ATOM 1074 CG1 ILE A 71 16.386 -6.506 -10.332 1.00 61.02 C ATOM 1075 CG2 ILE A 71 16.139 -7.389 -12.667 1.00 41.34 C ATOM 1076 CD1 ILE A 71 16.480 -5.042 -10.700 1.00 1.33 C ATOM 0 H ILE A 71 18.675 -9.002 -9.553 1.00 25.52 H new ATOM 0 HA ILE A 71 16.025 -9.269 -10.743 1.00 74.21 H new ATOM 0 HB ILE A 71 17.980 -7.108 -11.629 1.00 23.24 H new ATOM 0 HG12 ILE A 71 15.340 -6.764 -10.166 1.00 61.02 H new ATOM 0 HG13 ILE A 71 16.908 -6.670 -9.389 1.00 61.02 H new ATOM 0 HG21 ILE A 71 16.100 -6.363 -13.034 1.00 41.34 H new ATOM 0 HG22 ILE A 71 16.593 -8.028 -13.424 1.00 41.34 H new ATOM 0 HG23 ILE A 71 15.128 -7.738 -12.457 1.00 41.34 H new ATOM 0 HD11 ILE A 71 16.048 -4.438 -9.902 1.00 1.33 H new ATOM 0 HD12 ILE A 71 17.526 -4.768 -10.837 1.00 1.33 H new ATOM 0 HD13 ILE A 71 15.934 -4.864 -11.626 1.00 1.33 H new ATOM 1088 N HIS A 72 17.109 -10.171 -12.910 1.00 60.44 N ATOM 1089 CA HIS A 72 17.721 -11.004 -13.940 1.00 35.52 C ATOM 1090 C HIS A 72 16.813 -11.111 -15.162 1.00 24.41 C ATOM 1091 O HIS A 72 15.881 -11.913 -15.187 1.00 31.31 O ATOM 1092 CB HIS A 72 18.018 -12.399 -13.387 1.00 53.23 C ATOM 1093 CG HIS A 72 16.832 -13.056 -12.751 1.00 71.32 C ATOM 1094 ND1 HIS A 72 16.365 -12.717 -11.499 1.00 12.20 N ATOM 1095 CD2 HIS A 72 16.016 -14.037 -13.202 1.00 73.33 C ATOM 1096 CE1 HIS A 72 15.314 -13.462 -11.207 1.00 13.23 C ATOM 1097 NE2 HIS A 72 15.081 -14.271 -12.224 1.00 72.21 N ATOM 0 H HIS A 72 16.127 -9.950 -13.075 1.00 60.44 H new ATOM 0 HA HIS A 72 18.657 -10.535 -14.244 1.00 35.52 H new ATOM 0 HB2 HIS A 72 18.383 -13.032 -14.196 1.00 53.23 H new ATOM 0 HB3 HIS A 72 18.820 -12.327 -12.653 1.00 53.23 H new ATOM 0 HD1 HIS A 72 16.768 -12.003 -10.893 1.00 12.20 H new ATOM 0 HD2 HIS A 72 16.087 -14.542 -14.154 1.00 73.33 H new ATOM 0 HE1 HIS A 72 14.742 -13.417 -10.292 1.00 13.23 H new ATOM 1105 N GLY A 73 17.094 -10.296 -16.174 1.00 73.13 N ATOM 1106 CA GLY A 73 16.294 -10.314 -17.385 1.00 35.51 C ATOM 1107 C GLY A 73 16.890 -11.200 -18.461 1.00 3.30 C ATOM 1108 O GLY A 73 18.096 -11.165 -18.706 1.00 4.53 O ATOM 0 H GLY A 73 17.861 -9.624 -16.177 1.00 73.13 H new ATOM 0 HA2 GLY A 73 15.289 -10.662 -17.147 1.00 35.51 H new ATOM 0 HA3 GLY A 73 16.197 -9.298 -17.768 1.00 35.51 H new ATOM 1112 N PHE A 74 16.045 -11.997 -19.105 1.00 32.51 N ATOM 1113 CA PHE A 74 16.496 -12.898 -20.159 1.00 60.31 C ATOM 1114 C PHE A 74 16.232 -12.298 -21.537 1.00 72.51 C ATOM 1115 O PHE A 74 15.206 -11.654 -21.760 1.00 22.31 O ATOM 1116 CB PHE A 74 15.794 -14.253 -20.037 1.00 5.41 C ATOM 1117 CG PHE A 74 14.313 -14.142 -19.815 1.00 21.41 C ATOM 1118 CD1 PHE A 74 13.468 -13.787 -20.854 1.00 0.03 C ATOM 1119 CD2 PHE A 74 13.766 -14.394 -18.567 1.00 53.30 C ATOM 1120 CE1 PHE A 74 12.104 -13.685 -20.653 1.00 22.11 C ATOM 1121 CE2 PHE A 74 12.403 -14.294 -18.360 1.00 52.24 C ATOM 1122 CZ PHE A 74 11.571 -13.938 -19.404 1.00 42.22 C ATOM 0 H PHE A 74 15.044 -12.038 -18.916 1.00 32.51 H new ATOM 0 HA PHE A 74 17.570 -13.042 -20.044 1.00 60.31 H new ATOM 0 HB2 PHE A 74 15.975 -14.830 -20.944 1.00 5.41 H new ATOM 0 HB3 PHE A 74 16.237 -14.810 -19.211 1.00 5.41 H new ATOM 0 HD1 PHE A 74 13.880 -13.588 -21.832 1.00 0.03 H new ATOM 0 HD2 PHE A 74 14.412 -14.672 -17.747 1.00 53.30 H new ATOM 0 HE1 PHE A 74 11.456 -13.408 -21.471 1.00 22.11 H new ATOM 0 HE2 PHE A 74 11.989 -14.494 -17.383 1.00 52.24 H new ATOM 0 HZ PHE A 74 10.506 -13.858 -19.244 1.00 42.22 H new ATOM 1132 N HIS A 75 17.165 -12.514 -22.459 1.00 30.42 N ATOM 1133 CA HIS A 75 17.034 -11.996 -23.816 1.00 11.44 C ATOM 1134 C HIS A 75 17.165 -13.117 -24.841 1.00 64.43 C ATOM 1135 O HIS A 75 17.961 -14.041 -24.668 1.00 33.01 O ATOM 1136 CB HIS A 75 18.091 -10.922 -24.078 1.00 73.32 C ATOM 1137 CG HIS A 75 19.439 -11.480 -24.415 1.00 5.51 C ATOM 1138 ND1 HIS A 75 19.780 -11.914 -25.678 1.00 61.53 N ATOM 1139 CD2 HIS A 75 20.536 -11.670 -23.645 1.00 2.12 C ATOM 1140 CE1 HIS A 75 21.027 -12.350 -25.670 1.00 42.04 C ATOM 1141 NE2 HIS A 75 21.509 -12.212 -24.448 1.00 71.02 N ATOM 0 H HIS A 75 18.020 -13.044 -22.291 1.00 30.42 H new ATOM 0 HA HIS A 75 16.043 -11.552 -23.915 1.00 11.44 H new ATOM 0 HB2 HIS A 75 17.755 -10.285 -24.896 1.00 73.32 H new ATOM 0 HB3 HIS A 75 18.179 -10.288 -23.196 1.00 73.32 H new ATOM 0 HD1 HIS A 75 19.165 -11.901 -26.492 1.00 61.53 H new ATOM 0 HD2 HIS A 75 20.629 -11.438 -22.594 1.00 2.12 H new ATOM 0 HE1 HIS A 75 21.562 -12.751 -26.518 1.00 42.04 H new ATOM 1149 N VAL A 76 16.379 -13.031 -25.910 1.00 4.11 N ATOM 1150 CA VAL A 76 16.408 -14.038 -26.964 1.00 22.24 C ATOM 1151 C VAL A 76 16.498 -13.390 -28.341 1.00 35.52 C ATOM 1152 O VAL A 76 15.969 -12.301 -28.560 1.00 75.42 O ATOM 1153 CB VAL A 76 15.161 -14.940 -26.912 1.00 55.24 C ATOM 1154 CG1 VAL A 76 15.305 -16.107 -27.877 1.00 51.01 C ATOM 1155 CG2 VAL A 76 14.920 -15.436 -25.495 1.00 1.04 C ATOM 0 H VAL A 76 15.714 -12.274 -26.069 1.00 4.11 H new ATOM 0 HA VAL A 76 17.295 -14.648 -26.795 1.00 22.24 H new ATOM 0 HB VAL A 76 14.296 -14.351 -27.218 1.00 55.24 H new ATOM 0 HG11 VAL A 76 14.414 -16.733 -27.826 1.00 51.01 H new ATOM 0 HG12 VAL A 76 15.424 -15.727 -28.892 1.00 51.01 H new ATOM 0 HG13 VAL A 76 16.180 -16.698 -27.605 1.00 51.01 H new ATOM 0 HG21 VAL A 76 14.035 -16.072 -25.478 1.00 1.04 H new ATOM 0 HG22 VAL A 76 15.784 -16.008 -25.158 1.00 1.04 H new ATOM 0 HG23 VAL A 76 14.768 -14.584 -24.832 1.00 1.04 H new ATOM 1165 N GLU A 77 17.170 -14.069 -29.265 1.00 42.34 N ATOM 1166 CA GLU A 77 17.329 -13.558 -30.622 1.00 33.10 C ATOM 1167 C GLU A 77 16.010 -13.625 -31.386 1.00 74.43 C ATOM 1168 O GLU A 77 14.975 -13.988 -30.829 1.00 35.10 O ATOM 1169 CB GLU A 77 18.404 -14.352 -31.367 1.00 74.22 C ATOM 1170 CG GLU A 77 18.212 -15.857 -31.290 1.00 32.54 C ATOM 1171 CD GLU A 77 19.301 -16.544 -30.488 1.00 13.33 C ATOM 1172 OE1 GLU A 77 19.656 -16.027 -29.408 1.00 5.21 O ATOM 1173 OE2 GLU A 77 19.797 -17.597 -30.940 1.00 11.44 O ATOM 0 H GLU A 77 17.613 -14.973 -29.099 1.00 42.34 H new ATOM 0 HA GLU A 77 17.638 -12.515 -30.556 1.00 33.10 H new ATOM 0 HB2 GLU A 77 18.408 -14.048 -32.414 1.00 74.22 H new ATOM 0 HB3 GLU A 77 19.381 -14.097 -30.957 1.00 74.22 H new ATOM 0 HG2 GLU A 77 17.243 -16.073 -30.840 1.00 32.54 H new ATOM 0 HG3 GLU A 77 18.194 -16.269 -32.299 1.00 32.54 H new ATOM 1180 N GLY A 78 16.056 -13.272 -32.667 1.00 73.13 N ATOM 1181 CA GLY A 78 14.859 -13.298 -33.488 1.00 31.34 C ATOM 1182 C GLY A 78 14.021 -12.045 -33.331 1.00 43.32 C ATOM 1183 O GLY A 78 13.653 -11.407 -34.318 1.00 73.23 O ATOM 0 H GLY A 78 16.901 -12.968 -33.151 1.00 73.13 H new ATOM 0 HA2 GLY A 78 15.142 -13.413 -34.534 1.00 31.34 H new ATOM 0 HA3 GLY A 78 14.259 -14.168 -33.223 1.00 31.34 H new ATOM 1187 N THR A 79 13.717 -11.689 -32.087 1.00 22.33 N ATOM 1188 CA THR A 79 12.915 -10.506 -31.804 1.00 43.42 C ATOM 1189 C THR A 79 13.513 -9.697 -30.658 1.00 61.14 C ATOM 1190 O THR A 79 14.172 -10.246 -29.777 1.00 30.34 O ATOM 1191 CB THR A 79 11.464 -10.882 -31.450 1.00 2.42 C ATOM 1192 OG1 THR A 79 10.910 -11.714 -32.475 1.00 15.34 O ATOM 1193 CG2 THR A 79 10.608 -9.635 -31.282 1.00 72.55 C ATOM 0 H THR A 79 14.015 -12.204 -31.259 1.00 22.33 H new ATOM 0 HA THR A 79 12.914 -9.901 -32.710 1.00 43.42 H new ATOM 0 HB THR A 79 11.472 -11.427 -30.506 1.00 2.42 H new ATOM 0 HG1 THR A 79 10.884 -12.643 -32.164 1.00 15.34 H new ATOM 0 HG21 THR A 79 9.587 -9.925 -31.032 1.00 72.55 H new ATOM 0 HG22 THR A 79 11.016 -9.019 -30.481 1.00 72.55 H new ATOM 0 HG23 THR A 79 10.606 -9.067 -32.212 1.00 72.55 H new ATOM 1201 N ASN A 80 13.278 -8.389 -30.677 1.00 71.24 N ATOM 1202 CA ASN A 80 13.794 -7.505 -29.639 1.00 13.31 C ATOM 1203 C ASN A 80 13.010 -7.675 -28.341 1.00 11.30 C ATOM 1204 O ASN A 80 12.259 -6.786 -27.937 1.00 24.25 O ATOM 1205 CB ASN A 80 13.727 -6.048 -30.101 1.00 53.31 C ATOM 1206 CG ASN A 80 14.894 -5.669 -30.992 1.00 22.51 C ATOM 1207 OD1 ASN A 80 15.844 -5.023 -30.549 1.00 32.43 O ATOM 1208 ND2 ASN A 80 14.828 -6.071 -32.256 1.00 23.41 N ATOM 0 H ASN A 80 12.734 -7.918 -31.400 1.00 71.24 H new ATOM 0 HA ASN A 80 14.834 -7.773 -29.453 1.00 13.31 H new ATOM 0 HB2 ASN A 80 12.794 -5.883 -30.640 1.00 53.31 H new ATOM 0 HB3 ASN A 80 13.712 -5.394 -29.229 1.00 53.31 H new ATOM 0 HD21 ASN A 80 15.584 -5.846 -32.903 1.00 23.41 H new ATOM 0 HD22 ASN A 80 14.021 -6.604 -32.580 1.00 23.41 H new ATOM 1215 N ILE A 81 13.190 -8.821 -27.693 1.00 41.33 N ATOM 1216 CA ILE A 81 12.501 -9.106 -26.441 1.00 25.23 C ATOM 1217 C ILE A 81 13.294 -8.585 -25.247 1.00 31.34 C ATOM 1218 O ILE A 81 14.296 -9.177 -24.848 1.00 31.20 O ATOM 1219 CB ILE A 81 12.260 -10.617 -26.263 1.00 11.23 C ATOM 1220 CG1 ILE A 81 11.587 -10.893 -24.917 1.00 0.45 C ATOM 1221 CG2 ILE A 81 13.572 -11.379 -26.371 1.00 72.44 C ATOM 1222 CD1 ILE A 81 11.099 -12.316 -24.766 1.00 35.34 C ATOM 0 H ILE A 81 13.807 -9.567 -28.014 1.00 41.33 H new ATOM 0 HA ILE A 81 11.539 -8.596 -26.486 1.00 25.23 H new ATOM 0 HB ILE A 81 11.597 -10.960 -27.057 1.00 11.23 H new ATOM 0 HG12 ILE A 81 12.292 -10.672 -24.116 1.00 0.45 H new ATOM 0 HG13 ILE A 81 10.743 -10.213 -24.796 1.00 0.45 H new ATOM 0 HG21 ILE A 81 13.385 -12.445 -26.243 1.00 72.44 H new ATOM 0 HG22 ILE A 81 14.015 -11.203 -27.351 1.00 72.44 H new ATOM 0 HG23 ILE A 81 14.257 -11.035 -25.596 1.00 72.44 H new ATOM 0 HD11 ILE A 81 10.633 -12.439 -23.788 1.00 35.34 H new ATOM 0 HD12 ILE A 81 10.370 -12.535 -25.546 1.00 35.34 H new ATOM 0 HD13 ILE A 81 11.942 -13.001 -24.855 1.00 35.34 H new ATOM 1234 N ASN A 82 12.836 -7.474 -24.679 1.00 22.22 N ATOM 1235 CA ASN A 82 13.502 -6.874 -23.528 1.00 53.55 C ATOM 1236 C ASN A 82 12.597 -6.901 -22.301 1.00 35.23 C ATOM 1237 O ASN A 82 11.662 -6.108 -22.187 1.00 10.11 O ATOM 1238 CB ASN A 82 13.909 -5.433 -23.843 1.00 51.34 C ATOM 1239 CG ASN A 82 13.416 -4.977 -25.203 1.00 53.41 C ATOM 1240 OD1 ASN A 82 14.200 -4.812 -26.137 1.00 64.43 O ATOM 1241 ND2 ASN A 82 12.109 -4.769 -25.319 1.00 62.54 N ATOM 0 H ASN A 82 12.007 -6.971 -24.996 1.00 22.22 H new ATOM 0 HA ASN A 82 14.396 -7.459 -23.311 1.00 53.55 H new ATOM 0 HB2 ASN A 82 13.512 -4.770 -23.075 1.00 51.34 H new ATOM 0 HB3 ASN A 82 14.995 -5.349 -23.806 1.00 51.34 H new ATOM 0 HD21 ASN A 82 11.719 -4.460 -26.209 1.00 62.54 H new ATOM 0 HD22 ASN A 82 11.496 -4.918 -24.518 1.00 62.54 H new ATOM 1248 N VAL A 83 12.881 -7.820 -21.383 1.00 51.10 N ATOM 1249 CA VAL A 83 12.094 -7.950 -20.162 1.00 62.44 C ATOM 1250 C VAL A 83 12.926 -7.603 -18.933 1.00 31.12 C ATOM 1251 O VAL A 83 13.950 -8.231 -18.667 1.00 44.14 O ATOM 1252 CB VAL A 83 11.536 -9.377 -20.005 1.00 34.14 C ATOM 1253 CG1 VAL A 83 10.245 -9.536 -20.794 1.00 43.22 C ATOM 1254 CG2 VAL A 83 12.568 -10.405 -20.443 1.00 2.44 C ATOM 0 H VAL A 83 13.650 -8.485 -21.462 1.00 51.10 H new ATOM 0 HA VAL A 83 11.263 -7.249 -20.244 1.00 62.44 H new ATOM 0 HB VAL A 83 11.313 -9.546 -18.952 1.00 34.14 H new ATOM 0 HG11 VAL A 83 9.866 -10.551 -20.671 1.00 43.22 H new ATOM 0 HG12 VAL A 83 9.505 -8.825 -20.427 1.00 43.22 H new ATOM 0 HG13 VAL A 83 10.438 -9.347 -21.850 1.00 43.22 H new ATOM 0 HG21 VAL A 83 12.156 -11.407 -20.325 1.00 2.44 H new ATOM 0 HG22 VAL A 83 12.825 -10.239 -21.489 1.00 2.44 H new ATOM 0 HG23 VAL A 83 13.463 -10.306 -19.829 1.00 2.44 H new ATOM 1264 N GLU A 84 12.477 -6.599 -18.186 1.00 21.33 N ATOM 1265 CA GLU A 84 13.181 -6.169 -16.984 1.00 1.45 C ATOM 1266 C GLU A 84 12.200 -5.893 -15.848 1.00 12.22 C ATOM 1267 O GLU A 84 11.309 -5.052 -15.972 1.00 70.34 O ATOM 1268 CB GLU A 84 14.009 -4.915 -17.272 1.00 44.13 C ATOM 1269 CG GLU A 84 13.212 -3.794 -17.917 1.00 51.30 C ATOM 1270 CD GLU A 84 13.556 -3.600 -19.381 1.00 3.10 C ATOM 1271 OE1 GLU A 84 14.742 -3.759 -19.738 1.00 42.41 O ATOM 1272 OE2 GLU A 84 12.639 -3.290 -20.170 1.00 12.24 O ATOM 0 H GLU A 84 11.630 -6.069 -18.392 1.00 21.33 H new ATOM 0 HA GLU A 84 13.848 -6.974 -16.678 1.00 1.45 H new ATOM 0 HB2 GLU A 84 14.440 -4.552 -16.339 1.00 44.13 H new ATOM 0 HB3 GLU A 84 14.840 -5.181 -17.925 1.00 44.13 H new ATOM 0 HG2 GLU A 84 12.148 -4.010 -17.823 1.00 51.30 H new ATOM 0 HG3 GLU A 84 13.397 -2.865 -17.378 1.00 51.30 H new ATOM 1279 N VAL A 85 12.370 -6.608 -14.740 1.00 51.40 N ATOM 1280 CA VAL A 85 11.501 -6.441 -13.581 1.00 53.54 C ATOM 1281 C VAL A 85 12.300 -6.485 -12.284 1.00 32.21 C ATOM 1282 O VAL A 85 13.309 -7.184 -12.187 1.00 63.42 O ATOM 1283 CB VAL A 85 10.409 -7.527 -13.537 1.00 45.31 C ATOM 1284 CG1 VAL A 85 11.034 -8.905 -13.385 1.00 30.24 C ATOM 1285 CG2 VAL A 85 9.428 -7.249 -12.409 1.00 33.22 C ATOM 0 H VAL A 85 13.102 -7.309 -14.621 1.00 51.40 H new ATOM 0 HA VAL A 85 11.027 -5.464 -13.679 1.00 53.54 H new ATOM 0 HB VAL A 85 9.860 -7.506 -14.478 1.00 45.31 H new ATOM 0 HG11 VAL A 85 10.248 -9.660 -13.356 1.00 30.24 H new ATOM 0 HG12 VAL A 85 11.694 -9.101 -14.230 1.00 30.24 H new ATOM 0 HG13 VAL A 85 11.609 -8.944 -12.460 1.00 30.24 H new ATOM 0 HG21 VAL A 85 8.663 -8.026 -12.392 1.00 33.22 H new ATOM 0 HG22 VAL A 85 9.960 -7.243 -11.458 1.00 33.22 H new ATOM 0 HG23 VAL A 85 8.957 -6.279 -12.568 1.00 33.22 H new ATOM 1295 N LEU A 86 11.842 -5.735 -11.288 1.00 31.34 N ATOM 1296 CA LEU A 86 12.514 -5.689 -9.993 1.00 73.05 C ATOM 1297 C LEU A 86 11.956 -6.752 -9.052 1.00 64.24 C ATOM 1298 O LEU A 86 10.884 -7.314 -9.277 1.00 22.35 O ATOM 1299 CB LEU A 86 12.358 -4.303 -9.365 1.00 71.11 C ATOM 1300 CG LEU A 86 12.003 -3.167 -10.325 1.00 3.10 C ATOM 1301 CD1 LEU A 86 11.789 -1.870 -9.561 1.00 4.43 C ATOM 1302 CD2 LEU A 86 13.092 -2.996 -11.375 1.00 34.42 C ATOM 0 H LEU A 86 11.009 -5.150 -11.352 1.00 31.34 H new ATOM 0 HA LEU A 86 13.573 -5.892 -10.153 1.00 73.05 H new ATOM 0 HB2 LEU A 86 11.585 -4.359 -8.598 1.00 71.11 H new ATOM 0 HB3 LEU A 86 13.290 -4.048 -8.861 1.00 71.11 H new ATOM 0 HG LEU A 86 11.073 -3.423 -10.833 1.00 3.10 H new ATOM 0 HD11 LEU A 86 11.537 -1.073 -10.261 1.00 4.43 H new ATOM 0 HD12 LEU A 86 10.974 -1.998 -8.848 1.00 4.43 H new ATOM 0 HD13 LEU A 86 12.702 -1.608 -9.026 1.00 4.43 H new ATOM 0 HD21 LEU A 86 12.823 -2.183 -12.050 1.00 34.42 H new ATOM 0 HD22 LEU A 86 14.037 -2.762 -10.884 1.00 34.42 H new ATOM 0 HD23 LEU A 86 13.197 -3.920 -11.944 1.00 34.42 H new ATOM 1314 N PRO A 87 12.699 -7.034 -7.972 1.00 21.33 N ATOM 1315 CA PRO A 87 12.298 -8.030 -6.973 1.00 53.41 C ATOM 1316 C PRO A 87 11.098 -7.574 -6.150 1.00 54.23 C ATOM 1317 O PRO A 87 10.924 -6.383 -5.895 1.00 1.13 O ATOM 1318 CB PRO A 87 13.537 -8.160 -6.084 1.00 41.12 C ATOM 1319 CG PRO A 87 14.248 -6.859 -6.232 1.00 71.12 C ATOM 1320 CD PRO A 87 13.988 -6.403 -7.641 1.00 72.03 C ATOM 0 HA PRO A 87 11.987 -8.967 -7.434 1.00 53.41 H new ATOM 0 HB2 PRO A 87 13.262 -8.345 -5.046 1.00 41.12 H new ATOM 0 HB3 PRO A 87 14.165 -8.993 -6.400 1.00 41.12 H new ATOM 0 HG2 PRO A 87 13.880 -6.129 -5.511 1.00 71.12 H new ATOM 0 HG3 PRO A 87 15.316 -6.975 -6.050 1.00 71.12 H new ATOM 0 HD2 PRO A 87 13.932 -5.316 -7.708 1.00 72.03 H new ATOM 0 HD3 PRO A 87 14.778 -6.724 -8.319 1.00 72.03 H new ATOM 1328 N GLY A 88 10.271 -8.530 -5.737 1.00 61.14 N ATOM 1329 CA GLY A 88 9.098 -8.206 -4.947 1.00 73.23 C ATOM 1330 C GLY A 88 7.851 -8.053 -5.796 1.00 62.32 C ATOM 1331 O GLY A 88 6.810 -7.615 -5.308 1.00 23.55 O ATOM 0 H GLY A 88 10.393 -9.523 -5.936 1.00 61.14 H new ATOM 0 HA2 GLY A 88 8.935 -8.989 -4.206 1.00 73.23 H new ATOM 0 HA3 GLY A 88 9.277 -7.281 -4.399 1.00 73.23 H new ATOM 1335 N GLU A 89 7.958 -8.414 -7.071 1.00 54.34 N ATOM 1336 CA GLU A 89 6.830 -8.311 -7.990 1.00 72.30 C ATOM 1337 C GLU A 89 6.863 -9.437 -9.020 1.00 11.02 C ATOM 1338 O GLU A 89 7.818 -10.211 -9.079 1.00 60.50 O ATOM 1339 CB GLU A 89 6.843 -6.956 -8.700 1.00 13.35 C ATOM 1340 CG GLU A 89 7.137 -5.787 -7.774 1.00 62.11 C ATOM 1341 CD GLU A 89 6.716 -4.455 -8.364 1.00 61.21 C ATOM 1342 OE1 GLU A 89 7.323 -4.033 -9.370 1.00 4.41 O ATOM 1343 OE2 GLU A 89 5.778 -3.836 -7.819 1.00 44.23 O ATOM 0 H GLU A 89 8.813 -8.780 -7.491 1.00 54.34 H new ATOM 0 HA GLU A 89 5.912 -8.399 -7.409 1.00 72.30 H new ATOM 0 HB2 GLU A 89 7.591 -6.978 -9.493 1.00 13.35 H new ATOM 0 HB3 GLU A 89 5.876 -6.796 -9.178 1.00 13.35 H new ATOM 0 HG2 GLU A 89 6.620 -5.940 -6.827 1.00 62.11 H new ATOM 0 HG3 GLU A 89 8.204 -5.762 -7.554 1.00 62.11 H new ATOM 1350 N VAL A 90 5.812 -9.521 -9.830 1.00 22.54 N ATOM 1351 CA VAL A 90 5.720 -10.551 -10.858 1.00 20.34 C ATOM 1352 C VAL A 90 5.381 -9.944 -12.215 1.00 24.55 C ATOM 1353 O VAL A 90 4.335 -9.319 -12.383 1.00 35.15 O ATOM 1354 CB VAL A 90 4.658 -11.608 -10.500 1.00 55.43 C ATOM 1355 CG1 VAL A 90 4.738 -12.790 -11.453 1.00 65.24 C ATOM 1356 CG2 VAL A 90 4.823 -12.062 -9.058 1.00 71.31 C ATOM 0 H VAL A 90 5.013 -8.888 -9.794 1.00 22.54 H new ATOM 0 HA VAL A 90 6.696 -11.032 -10.913 1.00 20.34 H new ATOM 0 HB VAL A 90 3.672 -11.156 -10.603 1.00 55.43 H new ATOM 0 HG11 VAL A 90 3.980 -13.526 -11.184 1.00 65.24 H new ATOM 0 HG12 VAL A 90 4.565 -12.447 -12.473 1.00 65.24 H new ATOM 0 HG13 VAL A 90 5.726 -13.245 -11.386 1.00 65.24 H new ATOM 0 HG21 VAL A 90 4.064 -12.809 -8.823 1.00 71.31 H new ATOM 0 HG22 VAL A 90 5.814 -12.497 -8.924 1.00 71.31 H new ATOM 0 HG23 VAL A 90 4.709 -11.207 -8.392 1.00 71.31 H new ATOM 1366 N SER A 91 6.274 -10.134 -13.181 1.00 2.12 N ATOM 1367 CA SER A 91 6.072 -9.602 -14.524 1.00 32.35 C ATOM 1368 C SER A 91 5.648 -10.707 -15.487 1.00 3.10 C ATOM 1369 O SER A 91 6.237 -11.788 -15.509 1.00 31.44 O ATOM 1370 CB SER A 91 7.352 -8.933 -15.028 1.00 54.21 C ATOM 1371 OG SER A 91 7.081 -7.645 -15.553 1.00 15.43 O ATOM 0 H SER A 91 7.144 -10.652 -13.059 1.00 2.12 H new ATOM 0 HA SER A 91 5.276 -8.858 -14.479 1.00 32.35 H new ATOM 0 HB2 SER A 91 8.070 -8.853 -14.212 1.00 54.21 H new ATOM 0 HB3 SER A 91 7.812 -9.553 -15.797 1.00 54.21 H new ATOM 0 HG SER A 91 7.915 -7.238 -15.867 1.00 15.43 H new ATOM 1377 N THR A 92 4.622 -10.427 -16.284 1.00 51.23 N ATOM 1378 CA THR A 92 4.117 -11.395 -17.249 1.00 64.25 C ATOM 1379 C THR A 92 4.578 -11.054 -18.662 1.00 71.52 C ATOM 1380 O THR A 92 4.468 -9.910 -19.103 1.00 34.31 O ATOM 1381 CB THR A 92 2.579 -11.463 -17.226 1.00 12.14 C ATOM 1382 OG1 THR A 92 2.129 -11.938 -15.952 1.00 20.21 O ATOM 1383 CG2 THR A 92 2.060 -12.377 -18.326 1.00 2.24 C ATOM 0 H THR A 92 4.124 -9.537 -16.280 1.00 51.23 H new ATOM 0 HA THR A 92 4.520 -12.366 -16.962 1.00 64.25 H new ATOM 0 HB THR A 92 2.191 -10.459 -17.397 1.00 12.14 H new ATOM 0 HG1 THR A 92 1.150 -11.977 -15.945 1.00 20.21 H new ATOM 0 HG21 THR A 92 0.971 -12.409 -18.289 1.00 2.24 H new ATOM 0 HG22 THR A 92 2.379 -11.996 -19.296 1.00 2.24 H new ATOM 0 HG23 THR A 92 2.457 -13.382 -18.182 1.00 2.24 H new ATOM 1391 N VAL A 93 5.094 -12.055 -19.369 1.00 21.01 N ATOM 1392 CA VAL A 93 5.570 -11.861 -20.733 1.00 72.45 C ATOM 1393 C VAL A 93 4.901 -12.840 -21.693 1.00 10.44 C ATOM 1394 O VAL A 93 4.904 -14.049 -21.464 1.00 33.23 O ATOM 1395 CB VAL A 93 7.098 -12.033 -20.825 1.00 33.41 C ATOM 1396 CG1 VAL A 93 7.602 -11.610 -22.196 1.00 72.22 C ATOM 1397 CG2 VAL A 93 7.789 -11.241 -19.726 1.00 23.33 C ATOM 0 H VAL A 93 5.193 -13.008 -19.019 1.00 21.01 H new ATOM 0 HA VAL A 93 5.309 -10.841 -21.017 1.00 72.45 H new ATOM 0 HB VAL A 93 7.337 -13.088 -20.687 1.00 33.41 H new ATOM 0 HG11 VAL A 93 8.683 -11.739 -22.242 1.00 72.22 H new ATOM 0 HG12 VAL A 93 7.131 -12.225 -22.963 1.00 72.22 H new ATOM 0 HG13 VAL A 93 7.354 -10.563 -22.368 1.00 72.22 H new ATOM 0 HG21 VAL A 93 8.868 -11.374 -19.805 1.00 23.33 H new ATOM 0 HG22 VAL A 93 7.545 -10.184 -19.831 1.00 23.33 H new ATOM 0 HG23 VAL A 93 7.450 -11.597 -18.753 1.00 23.33 H new ATOM 1407 N ARG A 94 4.329 -12.308 -22.768 1.00 12.32 N ATOM 1408 CA ARG A 94 3.655 -13.134 -23.762 1.00 50.13 C ATOM 1409 C ARG A 94 4.474 -13.214 -25.048 1.00 14.25 C ATOM 1410 O ARG A 94 4.347 -12.364 -25.930 1.00 23.41 O ATOM 1411 CB ARG A 94 2.264 -12.573 -24.065 1.00 3.12 C ATOM 1412 CG ARG A 94 1.410 -12.362 -22.826 1.00 32.13 C ATOM 1413 CD ARG A 94 0.205 -13.290 -22.815 1.00 52.35 C ATOM 1414 NE ARG A 94 -0.833 -12.850 -23.744 1.00 44.44 N ATOM 1415 CZ ARG A 94 -2.004 -13.461 -23.882 1.00 23.24 C ATOM 1416 NH1 ARG A 94 -2.285 -14.533 -23.154 1.00 10.15 N ATOM 1417 NH2 ARG A 94 -2.897 -13.001 -24.748 1.00 43.53 N ATOM 0 H ARG A 94 4.319 -11.309 -22.973 1.00 12.32 H new ATOM 0 HA ARG A 94 3.553 -14.139 -23.353 1.00 50.13 H new ATOM 0 HB2 ARG A 94 2.371 -11.623 -24.589 1.00 3.12 H new ATOM 0 HB3 ARG A 94 1.746 -13.253 -24.741 1.00 3.12 H new ATOM 0 HG2 ARG A 94 2.012 -12.535 -21.934 1.00 32.13 H new ATOM 0 HG3 ARG A 94 1.073 -11.326 -22.787 1.00 32.13 H new ATOM 0 HD2 ARG A 94 0.522 -14.299 -23.077 1.00 52.35 H new ATOM 0 HD3 ARG A 94 -0.207 -13.337 -21.807 1.00 52.35 H new ATOM 0 HE ARG A 94 -0.648 -12.028 -24.319 1.00 44.44 H new ATOM 0 HH11 ARG A 94 -1.601 -14.890 -22.487 1.00 10.15 H new ATOM 0 HH12 ARG A 94 -3.185 -15.001 -23.261 1.00 10.15 H new ATOM 0 HH21 ARG A 94 -2.685 -12.176 -25.310 1.00 43.53 H new ATOM 0 HH22 ARG A 94 -3.796 -13.472 -24.852 1.00 43.53 H new ATOM 1431 N TYR A 95 5.313 -14.239 -25.145 1.00 75.04 N ATOM 1432 CA TYR A 95 6.154 -14.428 -26.321 1.00 21.40 C ATOM 1433 C TYR A 95 6.247 -15.905 -26.692 1.00 61.32 C ATOM 1434 O TYR A 95 6.470 -16.761 -25.835 1.00 61.12 O ATOM 1435 CB TYR A 95 7.554 -13.865 -26.068 1.00 73.52 C ATOM 1436 CG TYR A 95 8.412 -13.795 -27.311 1.00 55.23 C ATOM 1437 CD1 TYR A 95 8.875 -14.952 -27.926 1.00 0.23 C ATOM 1438 CD2 TYR A 95 8.759 -12.572 -27.871 1.00 5.32 C ATOM 1439 CE1 TYR A 95 9.660 -14.892 -29.061 1.00 73.32 C ATOM 1440 CE2 TYR A 95 9.542 -12.503 -29.007 1.00 3.32 C ATOM 1441 CZ TYR A 95 9.990 -13.666 -29.598 1.00 41.52 C ATOM 1442 OH TYR A 95 10.771 -13.601 -30.729 1.00 44.01 O ATOM 0 H TYR A 95 5.429 -14.951 -24.424 1.00 75.04 H new ATOM 0 HA TYR A 95 5.698 -13.891 -27.153 1.00 21.40 H new ATOM 0 HB2 TYR A 95 7.463 -12.866 -25.643 1.00 73.52 H new ATOM 0 HB3 TYR A 95 8.056 -14.484 -25.324 1.00 73.52 H new ATOM 0 HD1 TYR A 95 8.617 -15.914 -27.509 1.00 0.23 H new ATOM 0 HD2 TYR A 95 8.411 -11.659 -27.410 1.00 5.32 H new ATOM 0 HE1 TYR A 95 10.013 -15.801 -29.525 1.00 73.32 H new ATOM 0 HE2 TYR A 95 9.802 -11.544 -29.430 1.00 3.32 H new ATOM 0 HH TYR A 95 10.618 -14.398 -31.279 1.00 44.01 H new ATOM 1452 N THR A 96 6.075 -16.198 -27.978 1.00 10.43 N ATOM 1453 CA THR A 96 6.139 -17.570 -28.465 1.00 15.24 C ATOM 1454 C THR A 96 7.193 -17.718 -29.555 1.00 4.00 C ATOM 1455 O THR A 96 7.343 -16.845 -30.410 1.00 65.23 O ATOM 1456 CB THR A 96 4.777 -18.034 -29.017 1.00 4.35 C ATOM 1457 OG1 THR A 96 4.793 -19.449 -29.232 1.00 71.23 O ATOM 1458 CG2 THR A 96 4.450 -17.321 -30.320 1.00 5.41 C ATOM 0 H THR A 96 5.890 -15.502 -28.701 1.00 10.43 H new ATOM 0 HA THR A 96 6.410 -18.195 -27.614 1.00 15.24 H new ATOM 0 HB THR A 96 4.009 -17.787 -28.284 1.00 4.35 H new ATOM 0 HG1 THR A 96 4.683 -19.911 -28.375 1.00 71.23 H new ATOM 0 HG21 THR A 96 3.484 -17.665 -30.690 1.00 5.41 H new ATOM 0 HG22 THR A 96 4.410 -16.246 -30.146 1.00 5.41 H new ATOM 0 HG23 THR A 96 5.221 -17.541 -31.058 1.00 5.41 H new ATOM 1466 N PHE A 97 7.922 -18.829 -29.520 1.00 3.43 N ATOM 1467 CA PHE A 97 8.964 -19.091 -30.506 1.00 2.04 C ATOM 1468 C PHE A 97 8.436 -19.973 -31.633 1.00 64.22 C ATOM 1469 O PHE A 97 7.248 -20.290 -31.685 1.00 32.31 O ATOM 1470 CB PHE A 97 10.169 -19.760 -29.840 1.00 74.33 C ATOM 1471 CG PHE A 97 10.883 -18.872 -28.862 1.00 21.41 C ATOM 1472 CD1 PHE A 97 11.632 -17.793 -29.304 1.00 34.52 C ATOM 1473 CD2 PHE A 97 10.807 -19.117 -27.500 1.00 74.22 C ATOM 1474 CE1 PHE A 97 12.290 -16.974 -28.406 1.00 60.21 C ATOM 1475 CE2 PHE A 97 11.462 -18.301 -26.598 1.00 24.31 C ATOM 1476 CZ PHE A 97 12.206 -17.229 -27.051 1.00 60.34 C ATOM 0 H PHE A 97 7.810 -19.562 -28.820 1.00 3.43 H new ATOM 0 HA PHE A 97 9.276 -18.137 -30.931 1.00 2.04 H new ATOM 0 HB2 PHE A 97 9.835 -20.661 -29.324 1.00 74.33 H new ATOM 0 HB3 PHE A 97 10.871 -20.076 -30.611 1.00 74.33 H new ATOM 0 HD1 PHE A 97 11.702 -17.590 -30.362 1.00 34.52 H new ATOM 0 HD2 PHE A 97 10.229 -19.955 -27.140 1.00 74.22 H new ATOM 0 HE1 PHE A 97 12.869 -16.135 -28.763 1.00 60.21 H new ATOM 0 HE2 PHE A 97 11.392 -18.501 -25.539 1.00 24.31 H new ATOM 0 HZ PHE A 97 12.721 -16.592 -26.347 1.00 60.34 H new ATOM 1486 N LYS A 98 9.329 -20.366 -32.536 1.00 33.43 N ATOM 1487 CA LYS A 98 8.956 -21.213 -33.663 1.00 53.40 C ATOM 1488 C LYS A 98 9.832 -22.459 -33.721 1.00 64.40 C ATOM 1489 O LYS A 98 9.403 -23.510 -34.198 1.00 32.03 O ATOM 1490 CB LYS A 98 9.073 -20.432 -34.974 1.00 44.10 C ATOM 1491 CG LYS A 98 8.953 -21.302 -36.213 1.00 72.20 C ATOM 1492 CD LYS A 98 8.837 -20.463 -37.475 1.00 34.34 C ATOM 1493 CE LYS A 98 7.531 -20.735 -38.207 1.00 24.24 C ATOM 1494 NZ LYS A 98 6.992 -19.507 -38.854 1.00 64.43 N ATOM 0 H LYS A 98 10.316 -20.111 -32.509 1.00 33.43 H new ATOM 0 HA LYS A 98 7.921 -21.525 -33.524 1.00 53.40 H new ATOM 0 HB2 LYS A 98 8.298 -19.666 -35.001 1.00 44.10 H new ATOM 0 HB3 LYS A 98 10.032 -19.915 -34.995 1.00 44.10 H new ATOM 0 HG2 LYS A 98 9.824 -21.953 -36.287 1.00 72.20 H new ATOM 0 HG3 LYS A 98 8.079 -21.947 -36.122 1.00 72.20 H new ATOM 0 HD2 LYS A 98 8.897 -19.406 -37.217 1.00 34.34 H new ATOM 0 HD3 LYS A 98 9.677 -20.679 -38.135 1.00 34.34 H new ATOM 0 HE2 LYS A 98 7.692 -21.503 -38.963 1.00 24.24 H new ATOM 0 HE3 LYS A 98 6.796 -21.128 -37.505 1.00 24.24 H new ATOM 0 HZ1 LYS A 98 6.102 -19.734 -39.342 1.00 64.43 H new ATOM 0 HZ2 LYS A 98 6.815 -18.782 -38.130 1.00 64.43 H new ATOM 0 HZ3 LYS A 98 7.682 -19.146 -39.543 1.00 64.43 H new ATOM 1508 N ARG A 99 11.062 -22.336 -33.232 1.00 11.02 N ATOM 1509 CA ARG A 99 11.998 -23.453 -33.228 1.00 64.31 C ATOM 1510 C ARG A 99 12.644 -23.617 -31.855 1.00 41.12 C ATOM 1511 O ARG A 99 12.734 -22.675 -31.068 1.00 41.40 O ATOM 1512 CB ARG A 99 13.079 -23.244 -34.290 1.00 64.01 C ATOM 1513 CG ARG A 99 13.501 -21.793 -34.453 1.00 14.33 C ATOM 1514 CD ARG A 99 14.107 -21.242 -33.171 1.00 52.34 C ATOM 1515 NE ARG A 99 14.919 -20.053 -33.417 1.00 71.11 N ATOM 1516 CZ ARG A 99 14.408 -18.851 -33.659 1.00 10.04 C ATOM 1517 NH1 ARG A 99 13.094 -18.679 -33.686 1.00 54.10 N ATOM 1518 NH2 ARG A 99 15.212 -17.818 -33.873 1.00 4.44 N ATOM 0 H ARG A 99 11.433 -21.474 -32.833 1.00 11.02 H new ATOM 0 HA ARG A 99 11.441 -24.361 -33.459 1.00 64.31 H new ATOM 0 HB2 ARG A 99 13.953 -23.840 -34.029 1.00 64.01 H new ATOM 0 HB3 ARG A 99 12.713 -23.617 -35.247 1.00 64.01 H new ATOM 0 HG2 ARG A 99 14.226 -21.712 -35.263 1.00 14.33 H new ATOM 0 HG3 ARG A 99 12.637 -21.191 -34.737 1.00 14.33 H new ATOM 0 HD2 ARG A 99 13.310 -20.998 -32.469 1.00 52.34 H new ATOM 0 HD3 ARG A 99 14.721 -22.010 -32.701 1.00 52.34 H new ATOM 0 HE ARG A 99 15.934 -20.151 -33.402 1.00 71.11 H new ATOM 0 HH11 ARG A 99 12.473 -19.471 -33.521 1.00 54.10 H new ATOM 0 HH12 ARG A 99 12.704 -17.755 -33.872 1.00 54.10 H new ATOM 0 HH21 ARG A 99 16.224 -17.946 -33.852 1.00 4.44 H new ATOM 0 HH22 ARG A 99 14.819 -16.895 -34.059 1.00 4.44 H new ATOM 1532 N PRO A 100 13.104 -24.842 -31.560 1.00 1.34 N ATOM 1533 CA PRO A 100 13.749 -25.158 -30.282 1.00 3.22 C ATOM 1534 C PRO A 100 15.120 -24.504 -30.147 1.00 10.51 C ATOM 1535 O PRO A 100 15.649 -23.946 -31.107 1.00 45.40 O ATOM 1536 CB PRO A 100 13.886 -26.682 -30.321 1.00 12.01 C ATOM 1537 CG PRO A 100 13.913 -27.023 -31.771 1.00 15.22 C ATOM 1538 CD PRO A 100 13.030 -26.012 -32.450 1.00 64.12 C ATOM 0 HA PRO A 100 13.173 -24.789 -29.433 1.00 3.22 H new ATOM 0 HB2 PRO A 100 14.797 -27.011 -29.820 1.00 12.01 H new ATOM 0 HB3 PRO A 100 13.051 -27.168 -29.816 1.00 12.01 H new ATOM 0 HG2 PRO A 100 14.929 -26.980 -32.163 1.00 15.22 H new ATOM 0 HG3 PRO A 100 13.549 -28.036 -31.941 1.00 15.22 H new ATOM 0 HD2 PRO A 100 13.386 -25.777 -33.453 1.00 64.12 H new ATOM 0 HD3 PRO A 100 12.007 -26.375 -32.552 1.00 64.12 H new ATOM 1546 N GLY A 101 15.690 -24.576 -28.948 1.00 23.31 N ATOM 1547 CA GLY A 101 16.995 -23.987 -28.710 1.00 70.00 C ATOM 1548 C GLY A 101 17.212 -23.628 -27.253 1.00 63.44 C ATOM 1549 O GLY A 101 16.344 -23.029 -26.619 1.00 64.25 O ATOM 0 H GLY A 101 15.271 -25.032 -28.137 1.00 23.31 H new ATOM 0 HA2 GLY A 101 17.769 -24.686 -29.028 1.00 70.00 H new ATOM 0 HA3 GLY A 101 17.103 -23.091 -29.322 1.00 70.00 H new ATOM 1553 N GLU A 102 18.373 -23.998 -26.721 1.00 44.54 N ATOM 1554 CA GLU A 102 18.700 -23.713 -25.329 1.00 51.31 C ATOM 1555 C GLU A 102 19.631 -22.508 -25.224 1.00 61.30 C ATOM 1556 O GLU A 102 20.693 -22.475 -25.846 1.00 2.00 O ATOM 1557 CB GLU A 102 19.351 -24.933 -24.675 1.00 32.12 C ATOM 1558 CG GLU A 102 20.513 -25.502 -25.470 1.00 65.51 C ATOM 1559 CD GLU A 102 21.683 -25.900 -24.591 1.00 0.35 C ATOM 1560 OE1 GLU A 102 21.647 -27.010 -24.020 1.00 62.04 O ATOM 1561 OE2 GLU A 102 22.635 -25.099 -24.473 1.00 34.42 O ATOM 0 H GLU A 102 19.102 -24.495 -27.233 1.00 44.54 H new ATOM 0 HA GLU A 102 17.773 -23.480 -24.805 1.00 51.31 H new ATOM 0 HB2 GLU A 102 19.702 -24.657 -23.681 1.00 32.12 H new ATOM 0 HB3 GLU A 102 18.597 -25.709 -24.543 1.00 32.12 H new ATOM 0 HG2 GLU A 102 20.173 -26.372 -26.031 1.00 65.51 H new ATOM 0 HG3 GLU A 102 20.846 -24.763 -26.199 1.00 65.51 H new ATOM 1568 N TYR A 103 19.225 -21.521 -24.434 1.00 33.25 N ATOM 1569 CA TYR A 103 20.020 -20.313 -24.249 1.00 21.33 C ATOM 1570 C TYR A 103 19.913 -19.804 -22.814 1.00 73.45 C ATOM 1571 O TYR A 103 18.871 -19.938 -22.173 1.00 34.31 O ATOM 1572 CB TYR A 103 19.567 -19.225 -25.223 1.00 52.22 C ATOM 1573 CG TYR A 103 18.094 -19.290 -25.561 1.00 45.32 C ATOM 1574 CD1 TYR A 103 17.634 -20.094 -26.597 1.00 3.40 C ATOM 1575 CD2 TYR A 103 17.164 -18.547 -24.846 1.00 12.43 C ATOM 1576 CE1 TYR A 103 16.290 -20.156 -26.910 1.00 2.50 C ATOM 1577 CE2 TYR A 103 15.818 -18.604 -25.151 1.00 13.43 C ATOM 1578 CZ TYR A 103 15.386 -19.409 -26.184 1.00 32.23 C ATOM 1579 OH TYR A 103 14.046 -19.468 -26.491 1.00 51.55 O ATOM 0 H TYR A 103 18.349 -21.534 -23.911 1.00 33.25 H new ATOM 0 HA TYR A 103 21.062 -20.561 -24.450 1.00 21.33 H new ATOM 0 HB2 TYR A 103 19.790 -18.248 -24.793 1.00 52.22 H new ATOM 0 HB3 TYR A 103 20.146 -19.308 -26.143 1.00 52.22 H new ATOM 0 HD1 TYR A 103 18.339 -20.680 -27.167 1.00 3.40 H new ATOM 0 HD2 TYR A 103 17.499 -17.914 -24.038 1.00 12.43 H new ATOM 0 HE1 TYR A 103 15.949 -20.786 -27.718 1.00 2.50 H new ATOM 0 HE2 TYR A 103 15.108 -18.021 -24.583 1.00 13.43 H new ATOM 0 HH TYR A 103 13.616 -18.623 -26.242 1.00 51.55 H new ATOM 1589 N ARG A 104 20.998 -19.219 -22.318 1.00 70.34 N ATOM 1590 CA ARG A 104 21.027 -18.690 -20.960 1.00 65.22 C ATOM 1591 C ARG A 104 22.088 -17.601 -20.824 1.00 34.21 C ATOM 1592 O ARG A 104 23.270 -17.892 -20.641 1.00 1.01 O ATOM 1593 CB ARG A 104 21.303 -19.813 -19.958 1.00 72.15 C ATOM 1594 CG ARG A 104 22.414 -20.756 -20.390 1.00 43.45 C ATOM 1595 CD ARG A 104 23.168 -21.314 -19.193 1.00 51.04 C ATOM 1596 NE ARG A 104 23.402 -22.750 -19.316 1.00 22.34 N ATOM 1597 CZ ARG A 104 24.335 -23.279 -20.100 1.00 2.42 C ATOM 1598 NH1 ARG A 104 25.117 -22.493 -20.827 1.00 43.02 N ATOM 1599 NH2 ARG A 104 24.488 -24.596 -20.157 1.00 54.52 N ATOM 0 H ARG A 104 21.868 -19.099 -22.836 1.00 70.34 H new ATOM 0 HA ARG A 104 20.052 -18.253 -20.746 1.00 65.22 H new ATOM 0 HB2 ARG A 104 21.565 -19.373 -18.996 1.00 72.15 H new ATOM 0 HB3 ARG A 104 20.389 -20.387 -19.808 1.00 72.15 H new ATOM 0 HG2 ARG A 104 21.991 -21.576 -20.970 1.00 43.45 H new ATOM 0 HG3 ARG A 104 23.107 -20.228 -21.044 1.00 43.45 H new ATOM 0 HD2 ARG A 104 24.123 -20.798 -19.093 1.00 51.04 H new ATOM 0 HD3 ARG A 104 22.602 -21.115 -18.283 1.00 51.04 H new ATOM 0 HE ARG A 104 22.817 -23.382 -18.770 1.00 22.34 H new ATOM 0 HH11 ARG A 104 25.003 -21.480 -20.785 1.00 43.02 H new ATOM 0 HH12 ARG A 104 25.833 -22.901 -21.428 1.00 43.02 H new ATOM 0 HH21 ARG A 104 23.889 -25.204 -19.598 1.00 54.52 H new ATOM 0 HH22 ARG A 104 25.205 -25.001 -20.759 1.00 54.52 H new ATOM 1613 N ILE A 105 21.656 -16.348 -20.915 1.00 11.11 N ATOM 1614 CA ILE A 105 22.568 -15.216 -20.801 1.00 74.31 C ATOM 1615 C ILE A 105 21.809 -13.894 -20.830 1.00 12.14 C ATOM 1616 O ILE A 105 20.734 -13.796 -21.422 1.00 34.40 O ATOM 1617 CB ILE A 105 23.613 -15.220 -21.932 1.00 41.31 C ATOM 1618 CG1 ILE A 105 24.702 -14.181 -21.653 1.00 74.31 C ATOM 1619 CG2 ILE A 105 22.945 -14.948 -23.272 1.00 21.03 C ATOM 1620 CD1 ILE A 105 25.871 -14.260 -22.609 1.00 51.25 C ATOM 0 H ILE A 105 20.681 -16.091 -21.067 1.00 11.11 H new ATOM 0 HA ILE A 105 23.080 -15.317 -19.844 1.00 74.31 H new ATOM 0 HB ILE A 105 24.078 -16.205 -21.973 1.00 41.31 H new ATOM 0 HG12 ILE A 105 24.265 -13.184 -21.708 1.00 74.31 H new ATOM 0 HG13 ILE A 105 25.067 -14.313 -20.634 1.00 74.31 H new ATOM 0 HG21 ILE A 105 23.697 -14.954 -24.061 1.00 21.03 H new ATOM 0 HG22 ILE A 105 22.203 -15.721 -23.472 1.00 21.03 H new ATOM 0 HG23 ILE A 105 22.456 -13.974 -23.244 1.00 21.03 H new ATOM 0 HD11 ILE A 105 26.604 -13.495 -22.352 1.00 51.25 H new ATOM 0 HD12 ILE A 105 26.334 -15.244 -22.537 1.00 51.25 H new ATOM 0 HD13 ILE A 105 25.519 -14.098 -23.628 1.00 51.25 H new ATOM 1632 N ILE A 106 22.376 -12.879 -20.187 1.00 42.44 N ATOM 1633 CA ILE A 106 21.755 -11.561 -20.142 1.00 14.02 C ATOM 1634 C ILE A 106 22.598 -10.529 -20.883 1.00 21.13 C ATOM 1635 O ILE A 106 23.828 -10.553 -20.814 1.00 54.22 O ATOM 1636 CB ILE A 106 21.543 -11.088 -18.691 1.00 73.34 C ATOM 1637 CG1 ILE A 106 20.710 -9.805 -18.667 1.00 0.14 C ATOM 1638 CG2 ILE A 106 22.882 -10.870 -18.004 1.00 65.33 C ATOM 1639 CD1 ILE A 106 21.544 -8.543 -18.675 1.00 63.22 C ATOM 0 H ILE A 106 23.264 -12.944 -19.690 1.00 42.44 H new ATOM 0 HA ILE A 106 20.785 -11.653 -20.632 1.00 14.02 H new ATOM 0 HB ILE A 106 21.000 -11.861 -18.148 1.00 73.34 H new ATOM 0 HG12 ILE A 106 20.045 -9.797 -19.531 1.00 0.14 H new ATOM 0 HG13 ILE A 106 20.079 -9.808 -17.779 1.00 0.14 H new ATOM 0 HG21 ILE A 106 22.715 -10.536 -16.980 1.00 65.33 H new ATOM 0 HG22 ILE A 106 23.442 -11.805 -17.994 1.00 65.33 H new ATOM 0 HG23 ILE A 106 23.449 -10.113 -18.545 1.00 65.33 H new ATOM 0 HD11 ILE A 106 20.888 -7.673 -18.657 1.00 63.22 H new ATOM 0 HD12 ILE A 106 22.190 -8.528 -17.797 1.00 63.22 H new ATOM 0 HD13 ILE A 106 22.156 -8.517 -19.577 1.00 63.22 H new ATOM 1651 N CYS A 107 21.930 -9.624 -21.589 1.00 10.13 N ATOM 1652 CA CYS A 107 22.618 -8.582 -22.342 1.00 41.42 C ATOM 1653 C CYS A 107 21.619 -7.666 -23.041 1.00 55.11 C ATOM 1654 O CYS A 107 21.402 -6.531 -22.620 1.00 0.43 O ATOM 1655 CB CYS A 107 23.562 -9.206 -23.371 1.00 0.11 C ATOM 1656 SG CYS A 107 24.299 -8.015 -24.515 1.00 74.31 S ATOM 0 H CYS A 107 20.913 -9.591 -21.656 1.00 10.13 H new ATOM 0 HA CYS A 107 23.200 -7.986 -21.640 1.00 41.42 H new ATOM 0 HB2 CYS A 107 24.360 -9.730 -22.845 1.00 0.11 H new ATOM 0 HB3 CYS A 107 23.014 -9.953 -23.945 1.00 0.11 H new ATOM 0 HG CYS A 107 25.083 -8.638 -25.344 1.00 74.31 H new ATOM 1662 N ASN A 108 21.013 -8.168 -24.113 1.00 2.43 N ATOM 1663 CA ASN A 108 20.038 -7.394 -24.872 1.00 52.30 C ATOM 1664 C ASN A 108 18.828 -7.047 -24.009 1.00 60.05 C ATOM 1665 O ASN A 108 17.892 -7.837 -23.891 1.00 21.25 O ATOM 1666 CB ASN A 108 19.589 -8.173 -26.110 1.00 22.33 C ATOM 1667 CG ASN A 108 20.527 -7.980 -27.286 1.00 33.11 C ATOM 1668 OD1 ASN A 108 20.956 -6.863 -27.575 1.00 21.11 O ATOM 1669 ND2 ASN A 108 20.849 -9.071 -27.971 1.00 74.21 N ATOM 0 H ASN A 108 21.180 -9.107 -24.475 1.00 2.43 H new ATOM 0 HA ASN A 108 20.515 -6.466 -25.188 1.00 52.30 H new ATOM 0 HB2 ASN A 108 19.529 -9.234 -25.867 1.00 22.33 H new ATOM 0 HB3 ASN A 108 18.586 -7.854 -26.393 1.00 22.33 H new ATOM 0 HD21 ASN A 108 21.476 -9.003 -28.773 1.00 74.21 H new ATOM 0 HD22 ASN A 108 20.470 -9.977 -27.695 1.00 74.21 H new ATOM 1676 N GLN A 109 18.855 -5.861 -23.411 1.00 4.41 N ATOM 1677 CA GLN A 109 17.761 -5.410 -22.559 1.00 51.25 C ATOM 1678 C GLN A 109 17.925 -3.938 -22.196 1.00 54.45 C ATOM 1679 O GLN A 109 18.817 -3.258 -22.705 1.00 15.10 O ATOM 1680 CB GLN A 109 17.694 -6.257 -21.287 1.00 43.44 C ATOM 1681 CG GLN A 109 16.382 -7.007 -21.124 1.00 1.52 C ATOM 1682 CD GLN A 109 16.498 -8.473 -21.490 1.00 44.02 C ATOM 1683 OE1 GLN A 109 15.970 -8.913 -22.511 1.00 74.52 O ATOM 1684 NE2 GLN A 109 17.193 -9.238 -20.657 1.00 25.32 N ATOM 0 H GLN A 109 19.622 -5.195 -23.501 1.00 4.41 H new ATOM 0 HA GLN A 109 16.830 -5.527 -23.114 1.00 51.25 H new ATOM 0 HB2 GLN A 109 18.515 -6.974 -21.295 1.00 43.44 H new ATOM 0 HB3 GLN A 109 17.843 -5.611 -20.422 1.00 43.44 H new ATOM 0 HG2 GLN A 109 16.044 -6.920 -20.091 1.00 1.52 H new ATOM 0 HG3 GLN A 109 15.621 -6.540 -21.749 1.00 1.52 H new ATOM 0 HE21 GLN A 109 17.614 -8.831 -19.822 1.00 25.32 H new ATOM 0 HE22 GLN A 109 17.306 -10.233 -20.852 1.00 25.32 H new ATOM 1693 N TYR A 110 17.058 -3.451 -21.315 1.00 23.12 N ATOM 1694 CA TYR A 110 17.105 -2.058 -20.886 1.00 21.32 C ATOM 1695 C TYR A 110 17.335 -1.959 -19.381 1.00 23.31 C ATOM 1696 O TYR A 110 16.447 -1.551 -18.631 1.00 45.44 O ATOM 1697 CB TYR A 110 15.807 -1.343 -21.263 1.00 13.14 C ATOM 1698 CG TYR A 110 15.912 0.165 -21.220 1.00 32.12 C ATOM 1699 CD1 TYR A 110 17.012 0.820 -21.760 1.00 72.32 C ATOM 1700 CD2 TYR A 110 14.912 0.935 -20.638 1.00 70.42 C ATOM 1701 CE1 TYR A 110 17.113 2.197 -21.723 1.00 14.02 C ATOM 1702 CE2 TYR A 110 15.004 2.312 -20.598 1.00 14.33 C ATOM 1703 CZ TYR A 110 16.106 2.939 -21.141 1.00 32.20 C ATOM 1704 OH TYR A 110 16.201 4.311 -21.101 1.00 45.02 O ATOM 0 H TYR A 110 16.314 -4.000 -20.884 1.00 23.12 H new ATOM 0 HA TYR A 110 17.939 -1.575 -21.395 1.00 21.32 H new ATOM 0 HB2 TYR A 110 15.511 -1.650 -22.266 1.00 13.14 H new ATOM 0 HB3 TYR A 110 15.016 -1.663 -20.585 1.00 13.14 H new ATOM 0 HD1 TYR A 110 17.802 0.242 -22.217 1.00 72.32 H new ATOM 0 HD2 TYR A 110 14.048 0.448 -20.210 1.00 70.42 H new ATOM 0 HE1 TYR A 110 17.975 2.690 -22.147 1.00 14.02 H new ATOM 0 HE2 TYR A 110 14.217 2.895 -20.144 1.00 14.33 H new ATOM 0 HH TYR A 110 15.409 4.681 -20.658 1.00 45.02 H new ATOM 1714 N CYS A 111 18.533 -2.335 -18.946 1.00 72.54 N ATOM 1715 CA CYS A 111 18.882 -2.290 -17.531 1.00 13.22 C ATOM 1716 C CYS A 111 20.382 -2.089 -17.347 1.00 24.21 C ATOM 1717 O CYS A 111 20.815 -1.227 -16.583 1.00 52.25 O ATOM 1718 CB CYS A 111 18.437 -3.576 -16.833 1.00 65.10 C ATOM 1719 SG CYS A 111 17.550 -3.305 -15.281 1.00 61.40 S ATOM 0 H CYS A 111 19.279 -2.674 -19.553 1.00 72.54 H new ATOM 0 HA CYS A 111 18.363 -1.444 -17.081 1.00 13.22 H new ATOM 0 HB2 CYS A 111 17.797 -4.142 -17.510 1.00 65.10 H new ATOM 0 HB3 CYS A 111 19.315 -4.191 -16.635 1.00 65.10 H new ATOM 0 HG CYS A 111 17.214 -4.451 -14.768 1.00 61.40 H new ATOM 1725 N GLY A 112 21.173 -2.894 -18.052 1.00 13.45 N ATOM 1726 CA GLY A 112 22.617 -2.790 -17.951 1.00 14.35 C ATOM 1727 C GLY A 112 23.273 -4.120 -17.640 1.00 63.11 C ATOM 1728 O GLY A 112 23.230 -4.592 -16.503 1.00 71.33 O ATOM 0 H GLY A 112 20.839 -3.616 -18.691 1.00 13.45 H new ATOM 0 HA2 GLY A 112 23.017 -2.401 -18.888 1.00 14.35 H new ATOM 0 HA3 GLY A 112 22.873 -2.071 -17.173 1.00 14.35 H new ATOM 1732 N LEU A 113 23.882 -4.728 -18.652 1.00 41.14 N ATOM 1733 CA LEU A 113 24.550 -6.014 -18.483 1.00 11.22 C ATOM 1734 C LEU A 113 25.519 -5.973 -17.305 1.00 74.23 C ATOM 1735 O LEU A 113 26.093 -4.930 -16.997 1.00 22.24 O ATOM 1736 CB LEU A 113 25.299 -6.394 -19.761 1.00 72.32 C ATOM 1737 CG LEU A 113 26.335 -7.510 -19.625 1.00 70.50 C ATOM 1738 CD1 LEU A 113 25.658 -8.828 -19.280 1.00 41.03 C ATOM 1739 CD2 LEU A 113 27.146 -7.644 -20.906 1.00 31.53 C ATOM 0 H LEU A 113 23.927 -4.351 -19.599 1.00 41.14 H new ATOM 0 HA LEU A 113 23.789 -6.767 -18.278 1.00 11.22 H new ATOM 0 HB2 LEU A 113 24.568 -6.694 -20.511 1.00 72.32 H new ATOM 0 HB3 LEU A 113 25.800 -5.505 -20.142 1.00 72.32 H new ATOM 0 HG LEU A 113 27.015 -7.251 -18.813 1.00 70.50 H new ATOM 0 HD11 LEU A 113 26.411 -9.611 -19.187 1.00 41.03 H new ATOM 0 HD12 LEU A 113 25.123 -8.726 -18.336 1.00 41.03 H new ATOM 0 HD13 LEU A 113 24.955 -9.093 -20.069 1.00 41.03 H new ATOM 0 HD21 LEU A 113 27.878 -8.443 -20.791 1.00 31.53 H new ATOM 0 HD22 LEU A 113 26.479 -7.879 -21.736 1.00 31.53 H new ATOM 0 HD23 LEU A 113 27.662 -6.706 -21.110 1.00 31.53 H new ATOM 1751 N GLY A 114 25.696 -7.118 -16.652 1.00 4.40 N ATOM 1752 CA GLY A 114 26.598 -7.192 -15.517 1.00 51.41 C ATOM 1753 C GLY A 114 25.900 -6.906 -14.202 1.00 73.14 C ATOM 1754 O GLY A 114 24.681 -7.048 -14.094 1.00 62.14 O ATOM 0 H GLY A 114 25.231 -7.995 -16.888 1.00 4.40 H new ATOM 0 HA2 GLY A 114 27.047 -8.184 -15.478 1.00 51.41 H new ATOM 0 HA3 GLY A 114 27.411 -6.479 -15.656 1.00 51.41 H new ATOM 1758 N HIS A 115 26.673 -6.504 -13.199 1.00 13.34 N ATOM 1759 CA HIS A 115 26.121 -6.199 -11.883 1.00 52.54 C ATOM 1760 C HIS A 115 25.395 -7.409 -11.305 1.00 32.23 C ATOM 1761 O HIS A 115 25.547 -8.528 -11.795 1.00 2.25 O ATOM 1762 CB HIS A 115 25.164 -5.010 -11.972 1.00 53.41 C ATOM 1763 CG HIS A 115 25.343 -4.013 -10.868 1.00 75.13 C ATOM 1764 ND1 HIS A 115 24.363 -3.737 -9.938 1.00 23.04 N ATOM 1765 CD2 HIS A 115 26.396 -3.226 -10.548 1.00 63.22 C ATOM 1766 CE1 HIS A 115 24.806 -2.822 -9.094 1.00 23.22 C ATOM 1767 NE2 HIS A 115 26.038 -2.496 -9.442 1.00 52.30 N ATOM 0 H HIS A 115 27.683 -6.382 -13.271 1.00 13.34 H new ATOM 0 HA HIS A 115 26.947 -5.942 -11.220 1.00 52.54 H new ATOM 0 HB2 HIS A 115 25.308 -4.509 -12.929 1.00 53.41 H new ATOM 0 HB3 HIS A 115 24.138 -5.378 -11.956 1.00 53.41 H new ATOM 0 HD2 HIS A 115 27.342 -3.181 -11.066 1.00 63.22 H new ATOM 0 HE1 HIS A 115 24.255 -2.411 -8.261 1.00 23.22 H new ATOM 0 HE2 HIS A 115 26.627 -1.813 -8.966 1.00 52.30 H new ATOM 1775 N GLN A 116 24.607 -7.177 -10.260 1.00 55.21 N ATOM 1776 CA GLN A 116 23.859 -8.249 -9.615 1.00 33.35 C ATOM 1777 C GLN A 116 23.060 -9.049 -10.639 1.00 21.04 C ATOM 1778 O GLN A 116 22.773 -10.228 -10.433 1.00 44.51 O ATOM 1779 CB GLN A 116 22.919 -7.676 -8.552 1.00 61.50 C ATOM 1780 CG GLN A 116 23.639 -7.165 -7.315 1.00 23.22 C ATOM 1781 CD GLN A 116 22.901 -6.027 -6.639 1.00 4.53 C ATOM 1782 OE1 GLN A 116 22.224 -5.234 -7.294 1.00 63.14 O ATOM 1783 NE2 GLN A 116 23.028 -5.939 -5.320 1.00 3.12 N ATOM 0 H GLN A 116 24.470 -6.257 -9.842 1.00 55.21 H new ATOM 0 HA GLN A 116 24.573 -8.918 -9.136 1.00 33.35 H new ATOM 0 HB2 GLN A 116 22.343 -6.861 -8.990 1.00 61.50 H new ATOM 0 HB3 GLN A 116 22.207 -8.446 -8.256 1.00 61.50 H new ATOM 0 HG2 GLN A 116 23.763 -7.984 -6.607 1.00 23.22 H new ATOM 0 HG3 GLN A 116 24.638 -6.830 -7.593 1.00 23.22 H new ATOM 0 HE21 GLN A 116 23.599 -6.618 -4.816 1.00 3.12 H new ATOM 0 HE22 GLN A 116 22.554 -5.193 -4.811 1.00 3.12 H new ATOM 1792 N ASN A 117 22.704 -8.399 -11.742 1.00 32.40 N ATOM 1793 CA ASN A 117 21.937 -9.050 -12.798 1.00 60.32 C ATOM 1794 C ASN A 117 22.620 -10.337 -13.252 1.00 33.01 C ATOM 1795 O ASN A 117 23.587 -10.304 -14.012 1.00 1.42 O ATOM 1796 CB ASN A 117 21.764 -8.104 -13.988 1.00 61.43 C ATOM 1797 CG ASN A 117 20.641 -8.536 -14.912 1.00 23.43 C ATOM 1798 OD1 ASN A 117 20.534 -9.709 -15.271 1.00 23.25 O ATOM 1799 ND2 ASN A 117 19.798 -7.588 -15.301 1.00 53.32 N ATOM 0 H ASN A 117 22.934 -7.423 -11.928 1.00 32.40 H new ATOM 0 HA ASN A 117 20.955 -9.303 -12.397 1.00 60.32 H new ATOM 0 HB2 ASN A 117 21.563 -7.097 -13.622 1.00 61.43 H new ATOM 0 HB3 ASN A 117 22.696 -8.058 -14.551 1.00 61.43 H new ATOM 0 HD21 ASN A 117 19.023 -7.819 -15.923 1.00 53.32 H new ATOM 0 HD22 ASN A 117 19.925 -6.629 -14.978 1.00 53.32 H new ATOM 1806 N MET A 118 22.108 -11.470 -12.781 1.00 2.42 N ATOM 1807 CA MET A 118 22.667 -12.768 -13.140 1.00 5.33 C ATOM 1808 C MET A 118 22.257 -13.164 -14.554 1.00 44.05 C ATOM 1809 O MET A 118 21.502 -12.451 -15.215 1.00 43.43 O ATOM 1810 CB MET A 118 22.210 -13.837 -12.145 1.00 50.43 C ATOM 1811 CG MET A 118 20.752 -14.234 -12.308 1.00 52.31 C ATOM 1812 SD MET A 118 19.824 -14.116 -10.767 1.00 34.13 S ATOM 1813 CE MET A 118 20.803 -15.171 -9.701 1.00 13.04 C ATOM 0 H MET A 118 21.308 -11.515 -12.150 1.00 2.42 H new ATOM 0 HA MET A 118 23.754 -12.690 -13.105 1.00 5.33 H new ATOM 0 HB2 MET A 118 22.835 -14.722 -12.263 1.00 50.43 H new ATOM 0 HB3 MET A 118 22.367 -13.469 -11.131 1.00 50.43 H new ATOM 0 HG2 MET A 118 20.287 -13.594 -13.058 1.00 52.31 H new ATOM 0 HG3 MET A 118 20.697 -15.256 -12.683 1.00 52.31 H new ATOM 0 HE1 MET A 118 20.164 -15.602 -8.930 1.00 13.04 H new ATOM 0 HE2 MET A 118 21.250 -15.971 -10.292 1.00 13.04 H new ATOM 0 HE3 MET A 118 21.592 -14.583 -9.232 1.00 13.04 H new ATOM 1823 N PHE A 119 22.760 -14.305 -15.014 1.00 30.23 N ATOM 1824 CA PHE A 119 22.447 -14.795 -16.351 1.00 34.41 C ATOM 1825 C PHE A 119 21.202 -15.678 -16.329 1.00 12.40 C ATOM 1826 O PHE A 119 21.166 -16.702 -15.649 1.00 34.21 O ATOM 1827 CB PHE A 119 23.631 -15.579 -16.920 1.00 70.14 C ATOM 1828 CG PHE A 119 24.941 -14.855 -16.802 1.00 44.35 C ATOM 1829 CD1 PHE A 119 25.218 -13.761 -17.606 1.00 41.42 C ATOM 1830 CD2 PHE A 119 25.897 -15.268 -15.888 1.00 71.42 C ATOM 1831 CE1 PHE A 119 26.423 -13.091 -17.500 1.00 71.40 C ATOM 1832 CE2 PHE A 119 27.103 -14.603 -15.777 1.00 62.03 C ATOM 1833 CZ PHE A 119 27.367 -13.514 -16.585 1.00 21.00 C ATOM 0 H PHE A 119 23.386 -14.908 -14.480 1.00 30.23 H new ATOM 0 HA PHE A 119 22.250 -13.934 -16.989 1.00 34.41 H new ATOM 0 HB2 PHE A 119 23.706 -16.535 -16.402 1.00 70.14 H new ATOM 0 HB3 PHE A 119 23.440 -15.799 -17.970 1.00 70.14 H new ATOM 0 HD1 PHE A 119 24.484 -13.427 -18.324 1.00 41.42 H new ATOM 0 HD2 PHE A 119 25.697 -16.120 -15.255 1.00 71.42 H new ATOM 0 HE1 PHE A 119 26.626 -12.239 -18.132 1.00 71.40 H new ATOM 0 HE2 PHE A 119 27.839 -14.934 -15.059 1.00 62.03 H new ATOM 0 HZ PHE A 119 28.310 -12.994 -16.501 1.00 21.00 H new ATOM 1843 N GLY A 120 20.182 -15.271 -17.079 1.00 12.43 N ATOM 1844 CA GLY A 120 18.949 -16.034 -17.131 1.00 53.10 C ATOM 1845 C GLY A 120 19.099 -17.325 -17.911 1.00 33.01 C ATOM 1846 O GLY A 120 20.195 -17.669 -18.354 1.00 4.34 O ATOM 0 H GLY A 120 20.188 -14.427 -17.651 1.00 12.43 H new ATOM 0 HA2 GLY A 120 18.623 -16.262 -16.116 1.00 53.10 H new ATOM 0 HA3 GLY A 120 18.168 -15.426 -17.587 1.00 53.10 H new ATOM 1850 N THR A 121 17.994 -18.045 -18.079 1.00 53.14 N ATOM 1851 CA THR A 121 18.007 -19.307 -18.808 1.00 43.23 C ATOM 1852 C THR A 121 16.634 -19.620 -19.391 1.00 50.11 C ATOM 1853 O THR A 121 15.607 -19.280 -18.802 1.00 44.22 O ATOM 1854 CB THR A 121 18.447 -20.473 -17.904 1.00 33.54 C ATOM 1855 OG1 THR A 121 18.348 -21.711 -18.617 1.00 53.13 O ATOM 1856 CG2 THR A 121 17.591 -20.537 -16.648 1.00 15.42 C ATOM 0 H THR A 121 17.078 -17.775 -17.720 1.00 53.14 H new ATOM 0 HA THR A 121 18.726 -19.195 -19.620 1.00 43.23 H new ATOM 0 HB THR A 121 19.483 -20.304 -17.611 1.00 33.54 H new ATOM 0 HG1 THR A 121 18.631 -22.447 -18.035 1.00 53.13 H new ATOM 0 HG21 THR A 121 17.921 -21.369 -16.025 1.00 15.42 H new ATOM 0 HG22 THR A 121 17.691 -19.605 -16.092 1.00 15.42 H new ATOM 0 HG23 THR A 121 16.547 -20.683 -16.926 1.00 15.42 H new ATOM 1864 N ILE A 122 16.622 -20.270 -20.550 1.00 23.02 N ATOM 1865 CA ILE A 122 15.374 -20.630 -21.210 1.00 60.45 C ATOM 1866 C ILE A 122 15.558 -21.851 -22.105 1.00 62.33 C ATOM 1867 O ILE A 122 16.553 -21.965 -22.821 1.00 60.34 O ATOM 1868 CB ILE A 122 14.828 -19.465 -22.057 1.00 23.21 C ATOM 1869 CG1 ILE A 122 14.188 -18.408 -21.156 1.00 14.33 C ATOM 1870 CG2 ILE A 122 13.824 -19.977 -23.078 1.00 71.53 C ATOM 1871 CD1 ILE A 122 15.114 -17.261 -20.817 1.00 21.04 C ATOM 0 H ILE A 122 17.463 -20.558 -21.051 1.00 23.02 H new ATOM 0 HA ILE A 122 14.657 -20.863 -20.423 1.00 60.45 H new ATOM 0 HB ILE A 122 15.658 -19.005 -22.593 1.00 23.21 H new ATOM 0 HG12 ILE A 122 13.299 -18.013 -21.648 1.00 14.33 H new ATOM 0 HG13 ILE A 122 13.857 -18.882 -20.232 1.00 14.33 H new ATOM 0 HG21 ILE A 122 13.447 -19.142 -23.669 1.00 71.53 H new ATOM 0 HG22 ILE A 122 14.310 -20.697 -23.736 1.00 71.53 H new ATOM 0 HG23 ILE A 122 12.994 -20.460 -22.562 1.00 71.53 H new ATOM 0 HD11 ILE A 122 14.593 -16.550 -20.175 1.00 21.04 H new ATOM 0 HD12 ILE A 122 15.992 -17.644 -20.297 1.00 21.04 H new ATOM 0 HD13 ILE A 122 15.425 -16.761 -21.734 1.00 21.04 H new ATOM 1883 N VAL A 123 14.591 -22.762 -22.061 1.00 21.34 N ATOM 1884 CA VAL A 123 14.644 -23.974 -22.869 1.00 64.24 C ATOM 1885 C VAL A 123 13.379 -24.134 -23.704 1.00 35.33 C ATOM 1886 O VAL A 123 12.270 -24.175 -23.169 1.00 25.52 O ATOM 1887 CB VAL A 123 14.830 -25.227 -21.992 1.00 52.43 C ATOM 1888 CG1 VAL A 123 14.508 -26.485 -22.783 1.00 74.23 C ATOM 1889 CG2 VAL A 123 16.245 -25.283 -21.438 1.00 22.44 C ATOM 0 H VAL A 123 13.761 -22.683 -21.474 1.00 21.34 H new ATOM 0 HA VAL A 123 15.503 -23.874 -23.532 1.00 64.24 H new ATOM 0 HB VAL A 123 14.137 -25.168 -21.152 1.00 52.43 H new ATOM 0 HG11 VAL A 123 14.645 -27.360 -22.147 1.00 74.23 H new ATOM 0 HG12 VAL A 123 13.474 -26.444 -23.126 1.00 74.23 H new ATOM 0 HG13 VAL A 123 15.174 -26.554 -23.643 1.00 74.23 H new ATOM 0 HG21 VAL A 123 16.359 -26.174 -20.821 1.00 22.44 H new ATOM 0 HG22 VAL A 123 16.957 -25.319 -22.262 1.00 22.44 H new ATOM 0 HG23 VAL A 123 16.434 -24.396 -20.833 1.00 22.44 H new ATOM 1899 N VAL A 124 13.550 -24.225 -25.019 1.00 5.43 N ATOM 1900 CA VAL A 124 12.422 -24.382 -25.928 1.00 71.03 C ATOM 1901 C VAL A 124 12.280 -25.830 -26.382 1.00 71.43 C ATOM 1902 O VAL A 124 13.124 -26.350 -27.112 1.00 43.25 O ATOM 1903 CB VAL A 124 12.570 -23.479 -27.167 1.00 75.24 C ATOM 1904 CG1 VAL A 124 11.339 -23.586 -28.055 1.00 41.54 C ATOM 1905 CG2 VAL A 124 12.812 -22.037 -26.749 1.00 44.13 C ATOM 0 H VAL A 124 14.460 -24.193 -25.478 1.00 5.43 H new ATOM 0 HA VAL A 124 11.528 -24.088 -25.378 1.00 71.03 H new ATOM 0 HB VAL A 124 13.433 -23.816 -27.741 1.00 75.24 H new ATOM 0 HG11 VAL A 124 11.461 -22.941 -28.925 1.00 41.54 H new ATOM 0 HG12 VAL A 124 11.215 -24.618 -28.382 1.00 41.54 H new ATOM 0 HG13 VAL A 124 10.458 -23.275 -27.494 1.00 41.54 H new ATOM 0 HG21 VAL A 124 12.914 -21.413 -27.637 1.00 44.13 H new ATOM 0 HG22 VAL A 124 11.970 -21.685 -26.153 1.00 44.13 H new ATOM 0 HG23 VAL A 124 13.725 -21.978 -26.157 1.00 44.13 H new ATOM 1915 N LYS A 125 11.205 -26.479 -25.946 1.00 5.14 N ATOM 1916 CA LYS A 125 10.950 -27.868 -26.308 1.00 11.13 C ATOM 1917 C LYS A 125 10.248 -27.958 -27.659 1.00 13.41 C ATOM 1918 O LYS A 125 9.305 -27.214 -27.929 1.00 5.32 O ATOM 1919 CB LYS A 125 10.099 -28.548 -25.233 1.00 22.51 C ATOM 1920 CG LYS A 125 10.563 -28.258 -23.816 1.00 13.30 C ATOM 1921 CD LYS A 125 12.021 -28.636 -23.618 1.00 10.14 C ATOM 1922 CE LYS A 125 12.255 -30.114 -23.889 1.00 44.02 C ATOM 1923 NZ LYS A 125 13.415 -30.643 -23.118 1.00 54.53 N ATOM 0 H LYS A 125 10.496 -26.064 -25.341 1.00 5.14 H new ATOM 0 HA LYS A 125 11.909 -28.380 -26.382 1.00 11.13 H new ATOM 0 HB2 LYS A 125 9.064 -28.223 -25.341 1.00 22.51 H new ATOM 0 HB3 LYS A 125 10.113 -29.625 -25.398 1.00 22.51 H new ATOM 0 HG2 LYS A 125 10.428 -27.199 -23.598 1.00 13.30 H new ATOM 0 HG3 LYS A 125 9.944 -28.810 -23.109 1.00 13.30 H new ATOM 0 HD2 LYS A 125 12.646 -28.040 -24.283 1.00 10.14 H new ATOM 0 HD3 LYS A 125 12.324 -28.400 -22.598 1.00 10.14 H new ATOM 0 HE2 LYS A 125 11.359 -30.677 -23.629 1.00 44.02 H new ATOM 0 HE3 LYS A 125 12.428 -30.265 -24.955 1.00 44.02 H new ATOM 0 HZ1 LYS A 125 13.541 -31.653 -23.330 1.00 54.53 H new ATOM 0 HZ2 LYS A 125 14.275 -30.123 -23.385 1.00 54.53 H new ATOM 0 HZ3 LYS A 125 13.239 -30.523 -22.100 1.00 54.53 H new ATOM 1937 N GLU A 126 10.713 -28.874 -28.503 1.00 15.32 N ATOM 1938 CA GLU A 126 10.127 -29.060 -29.825 1.00 44.34 C ATOM 1939 C GLU A 126 9.023 -30.112 -29.789 1.00 13.25 C ATOM 1940 O GLU A 126 7.884 -29.843 -30.169 1.00 71.43 O ATOM 1941 CB GLU A 126 11.205 -29.471 -30.831 1.00 10.11 C ATOM 1942 CG GLU A 126 12.024 -30.671 -30.388 1.00 64.41 C ATOM 1943 CD GLU A 126 11.887 -31.851 -31.331 1.00 22.11 C ATOM 1944 OE1 GLU A 126 10.740 -32.239 -31.633 1.00 74.43 O ATOM 1945 OE2 GLU A 126 12.928 -32.386 -31.766 1.00 45.14 O ATOM 0 H GLU A 126 11.493 -29.498 -28.295 1.00 15.32 H new ATOM 0 HA GLU A 126 9.690 -28.111 -30.137 1.00 44.34 H new ATOM 0 HB2 GLU A 126 10.731 -29.698 -31.786 1.00 10.11 H new ATOM 0 HB3 GLU A 126 11.874 -28.627 -30.999 1.00 10.11 H new ATOM 0 HG2 GLU A 126 13.074 -30.385 -30.320 1.00 64.41 H new ATOM 0 HG3 GLU A 126 11.710 -30.971 -29.388 1.00 64.41 H new TER 1952 GLU A 126