USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot -4:sc= 0.0443 USER MOD Set 1.2: A 118 THR OG1 : rot 22:sc= 0.77 USER MOD Set 2.1: A 84 ASN : amide:sc= -2.22! C(o=-1.4!,f=-2!) USER MOD Set 2.2: A 86 SER OG : rot 107:sc= 0.815 USER MOD Set 3.1: A 69 SER OG : rot 180:sc= 1.12 USER MOD Set 3.2: A 80 LYS NZ :NH3+ 134:sc= 1.17 (180deg=0) USER MOD Set 4.1: A 59 TYR OH : rot 30:sc= -0.161 USER MOD Set 4.2: A 99 LYS NZ :NH3+ 165:sc= -0.246 (180deg=-0.425) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.79) USER MOD Single : A 53 THR OG1 : rot 51:sc= 0.0297 USER MOD Single : A 54 SER OG : rot 167:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.873 (180deg=0.862) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.579 K(o=0.58,f=-0.54) USER MOD Single : A 78 SER OG : rot 65:sc= 1.05 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 9:sc= 1.11 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD Single : A 98 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.59) USER MOD Single : A 100 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.039) USER MOD Single : A 103 ASN : amide:sc= -0.229 K(o=-0.23,f=-5.1!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD Single : A 117 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.1!) USER MOD Single : A 119 LYS NZ :NH3+ 134:sc= 2.03 (180deg=-0.45) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -10.485 12.851 -13.285 1.00 0.00 N ATOM 2 CA ALA A 49 -10.329 13.124 -11.840 1.00 0.00 C ATOM 3 C ALA A 49 -11.581 12.701 -11.083 1.00 0.00 C ATOM 4 O ALA A 49 -12.633 12.498 -11.690 1.00 0.00 O ATOM 5 CB ALA A 49 -10.041 14.598 -11.609 1.00 0.00 C ATOM 0 HA ALA A 49 -9.486 12.544 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.929 14.784 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.121 14.874 -12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.867 15.195 -11.996 1.00 0.00 H new ATOM 13 N ASN A 50 -11.458 12.582 -9.761 1.00 0.00 N ATOM 14 CA ASN A 50 -12.561 12.139 -8.904 1.00 0.00 C ATOM 15 C ASN A 50 -13.061 10.773 -9.352 1.00 0.00 C ATOM 16 O ASN A 50 -14.162 10.643 -9.888 1.00 0.00 O ATOM 17 CB ASN A 50 -13.722 13.144 -8.897 1.00 0.00 C ATOM 18 CG ASN A 50 -13.381 14.446 -8.198 1.00 0.00 C ATOM 19 OD1 ASN A 50 -13.516 14.564 -6.981 1.00 0.00 O ATOM 20 ND2 ASN A 50 -12.953 15.438 -8.963 1.00 0.00 N ATOM 0 H ASN A 50 -10.597 12.788 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.175 12.070 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.016 13.357 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.583 12.691 -8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.722 16.340 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.854 15.300 -9.969 1.00 0.00 H new ATOM 27 N GLN A 51 -12.240 9.757 -9.140 1.00 0.00 N ATOM 28 CA GLN A 51 -12.576 8.407 -9.566 1.00 0.00 C ATOM 29 C GLN A 51 -12.675 7.467 -8.372 1.00 0.00 C ATOM 30 O GLN A 51 -11.662 7.152 -7.739 1.00 0.00 O ATOM 31 CB GLN A 51 -11.532 7.883 -10.555 1.00 0.00 C ATOM 32 CG GLN A 51 -11.853 6.498 -11.095 1.00 0.00 C ATOM 33 CD GLN A 51 -10.756 5.950 -11.986 1.00 0.00 C ATOM 34 OE1 GLN A 51 -9.837 5.275 -11.516 1.00 0.00 O ATOM 35 NE2 GLN A 51 -10.839 6.236 -13.275 1.00 0.00 N ATOM 0 H GLN A 51 -11.336 9.841 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.547 8.443 -10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.450 8.580 -11.389 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.559 7.857 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.013 5.815 -10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.786 6.539 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.616 6.798 -13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.126 5.895 -13.920 1.00 0.00 H new ATOM 44 N GLN A 52 -13.903 7.046 -8.070 1.00 0.00 N ATOM 45 CA GLN A 52 -14.176 6.059 -7.026 1.00 0.00 C ATOM 46 C GLN A 52 -13.916 6.633 -5.637 1.00 0.00 C ATOM 47 O GLN A 52 -12.776 6.706 -5.179 1.00 0.00 O ATOM 48 CB GLN A 52 -13.337 4.794 -7.244 1.00 0.00 C ATOM 49 CG GLN A 52 -13.746 3.628 -6.359 1.00 0.00 C ATOM 50 CD GLN A 52 -15.147 3.133 -6.666 1.00 0.00 C ATOM 51 OE1 GLN A 52 -15.613 3.215 -7.802 1.00 0.00 O ATOM 52 NE2 GLN A 52 -15.833 2.627 -5.654 1.00 0.00 N ATOM 0 H GLN A 52 -14.741 7.382 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.232 5.795 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.417 4.491 -8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.289 5.028 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.038 2.810 -6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.692 3.932 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.411 2.576 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.784 2.288 -5.801 1.00 0.00 H new ATOM 61 N THR A 53 -14.980 7.043 -4.969 1.00 0.00 N ATOM 62 CA THR A 53 -14.873 7.579 -3.625 1.00 0.00 C ATOM 63 C THR A 53 -14.698 6.460 -2.597 1.00 0.00 C ATOM 64 O THR A 53 -15.647 6.054 -1.924 1.00 0.00 O ATOM 65 CB THR A 53 -16.097 8.439 -3.273 1.00 0.00 C ATOM 66 OG1 THR A 53 -17.305 7.803 -3.720 1.00 0.00 O ATOM 67 CG2 THR A 53 -15.971 9.814 -3.906 1.00 0.00 C ATOM 0 H THR A 53 -15.931 7.014 -5.338 1.00 0.00 H new ATOM 0 HA THR A 53 -13.987 8.214 -3.595 1.00 0.00 H new ATOM 0 HB THR A 53 -16.141 8.549 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.326 6.878 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.844 10.414 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.072 10.305 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.907 9.711 -4.989 1.00 0.00 H new ATOM 75 N SER A 54 -13.480 5.944 -2.505 1.00 0.00 N ATOM 76 CA SER A 54 -13.156 4.890 -1.557 1.00 0.00 C ATOM 77 C SER A 54 -12.308 5.429 -0.406 1.00 0.00 C ATOM 78 O SER A 54 -11.518 4.699 0.196 1.00 0.00 O ATOM 79 CB SER A 54 -12.424 3.763 -2.289 1.00 0.00 C ATOM 80 OG SER A 54 -11.450 4.289 -3.179 1.00 0.00 O ATOM 0 H SER A 54 -12.694 6.243 -3.082 1.00 0.00 H new ATOM 0 HA SER A 54 -14.079 4.501 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.944 3.105 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.141 3.158 -2.844 1.00 0.00 H new ATOM 0 HG SER A 54 -10.855 3.569 -3.475 1.00 0.00 H new ATOM 86 N GLY A 55 -12.495 6.706 -0.087 1.00 0.00 N ATOM 87 CA GLY A 55 -11.698 7.334 0.949 1.00 0.00 C ATOM 88 C GLY A 55 -10.253 7.475 0.527 1.00 0.00 C ATOM 89 O GLY A 55 -9.352 6.942 1.177 1.00 0.00 O ATOM 0 H GLY A 55 -13.184 7.316 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.108 8.317 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.755 6.742 1.863 1.00 0.00 H new ATOM 93 N LYS A 56 -10.040 8.224 -0.548 1.00 0.00 N ATOM 94 CA LYS A 56 -8.738 8.318 -1.186 1.00 0.00 C ATOM 95 C LYS A 56 -7.700 8.961 -0.270 1.00 0.00 C ATOM 96 O LYS A 56 -7.972 9.945 0.423 1.00 0.00 O ATOM 97 CB LYS A 56 -8.853 9.116 -2.483 1.00 0.00 C ATOM 98 CG LYS A 56 -9.673 8.419 -3.557 1.00 0.00 C ATOM 99 CD LYS A 56 -8.870 7.371 -4.305 1.00 0.00 C ATOM 100 CE LYS A 56 -9.748 6.644 -5.304 1.00 0.00 C ATOM 101 NZ LYS A 56 -8.988 5.673 -6.133 1.00 0.00 N ATOM 0 H LYS A 56 -10.765 8.781 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.402 7.304 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.304 10.084 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.853 9.310 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.543 7.948 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.047 9.160 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.035 7.844 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.444 6.658 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.540 6.119 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.231 7.373 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.652 5.086 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.366 6.188 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.413 5.065 -5.516 1.00 0.00 H new ATOM 115 N VAL A 57 -6.518 8.379 -0.273 1.00 0.00 N ATOM 116 CA VAL A 57 -5.410 8.857 0.528 1.00 0.00 C ATOM 117 C VAL A 57 -4.466 9.687 -0.326 1.00 0.00 C ATOM 118 O VAL A 57 -3.966 9.216 -1.349 1.00 0.00 O ATOM 119 CB VAL A 57 -4.616 7.688 1.144 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.645 8.186 2.203 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.548 6.631 1.705 1.00 0.00 C ATOM 0 H VAL A 57 -6.298 7.556 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.827 9.465 1.331 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.031 7.225 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.098 7.341 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.942 8.886 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.198 8.688 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.961 5.818 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.175 7.073 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.179 6.241 0.906 1.00 0.00 H new ATOM 131 N LEU A 58 -4.237 10.918 0.087 1.00 0.00 N ATOM 132 CA LEU A 58 -3.330 11.800 -0.621 1.00 0.00 C ATOM 133 C LEU A 58 -1.925 11.679 -0.044 1.00 0.00 C ATOM 134 O LEU A 58 -1.679 12.053 1.104 1.00 0.00 O ATOM 135 CB LEU A 58 -3.820 13.247 -0.521 1.00 0.00 C ATOM 136 CG LEU A 58 -2.977 14.279 -1.267 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.298 14.235 -2.749 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.219 15.672 -0.705 1.00 0.00 C ATOM 0 H LEU A 58 -4.669 11.332 0.913 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.303 11.510 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.841 13.294 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.859 13.527 0.532 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.923 14.038 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.693 14.974 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.078 13.242 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.354 14.458 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.610 16.394 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.272 15.930 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.948 15.691 0.351 1.00 0.00 H new ATOM 150 N TYR A 59 -1.015 11.136 -0.835 1.00 0.00 N ATOM 151 CA TYR A 59 0.373 11.005 -0.424 1.00 0.00 C ATOM 152 C TYR A 59 1.259 11.785 -1.400 1.00 0.00 C ATOM 153 O TYR A 59 1.189 11.580 -2.616 1.00 0.00 O ATOM 154 CB TYR A 59 0.783 9.515 -0.355 1.00 0.00 C ATOM 155 CG TYR A 59 1.398 8.974 -1.631 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.623 8.705 -2.753 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.771 8.775 -1.718 1.00 0.00 C ATOM 158 CE1 TYR A 59 1.201 8.256 -3.927 1.00 0.00 C ATOM 159 CE2 TYR A 59 3.352 8.317 -2.882 1.00 0.00 C ATOM 160 CZ TYR A 59 2.567 8.064 -3.983 1.00 0.00 C ATOM 161 OH TYR A 59 3.153 7.620 -5.146 1.00 0.00 O ATOM 0 H TYR A 59 -1.213 10.777 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 59 0.500 11.420 0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.494 9.384 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.097 8.920 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.446 8.849 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.393 8.982 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.588 8.057 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.419 8.158 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 59 2.630 7.930 -5.915 1.00 0.00 H new ATOM 171 N GLU A 60 2.025 12.737 -0.873 1.00 0.00 N ATOM 172 CA GLU A 60 2.998 13.501 -1.664 1.00 0.00 C ATOM 173 C GLU A 60 2.346 14.285 -2.809 1.00 0.00 C ATOM 174 O GLU A 60 3.035 14.875 -3.642 1.00 0.00 O ATOM 175 CB GLU A 60 4.069 12.563 -2.211 1.00 0.00 C ATOM 176 CG GLU A 60 4.847 11.859 -1.119 1.00 0.00 C ATOM 177 CD GLU A 60 5.771 12.798 -0.371 1.00 0.00 C ATOM 178 OE1 GLU A 60 5.313 13.453 0.589 1.00 0.00 O ATOM 179 OE2 GLU A 60 6.960 12.889 -0.739 1.00 0.00 O ATOM 0 H GLU A 60 1.992 13.003 0.111 1.00 0.00 H new ATOM 0 HA GLU A 60 3.451 14.235 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.599 11.818 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.760 13.132 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.150 11.403 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.432 11.050 -1.557 1.00 0.00 H new ATOM 186 N GLY A 61 1.024 14.308 -2.836 1.00 0.00 N ATOM 187 CA GLY A 61 0.314 15.025 -3.878 1.00 0.00 C ATOM 188 C GLY A 61 -0.383 14.108 -4.870 1.00 0.00 C ATOM 189 O GLY A 61 -0.881 14.568 -5.896 1.00 0.00 O ATOM 0 H GLY A 61 0.426 13.842 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.425 15.681 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.017 15.662 -4.415 1.00 0.00 H new ATOM 193 N LYS A 62 -0.404 12.809 -4.590 1.00 0.00 N ATOM 194 CA LYS A 62 -1.151 11.870 -5.417 1.00 0.00 C ATOM 195 C LYS A 62 -2.232 11.201 -4.585 1.00 0.00 C ATOM 196 O LYS A 62 -2.048 10.976 -3.389 1.00 0.00 O ATOM 197 CB LYS A 62 -0.241 10.797 -6.007 1.00 0.00 C ATOM 198 CG LYS A 62 -0.864 10.081 -7.192 1.00 0.00 C ATOM 199 CD LYS A 62 0.077 9.061 -7.806 1.00 0.00 C ATOM 200 CE LYS A 62 1.371 9.700 -8.279 1.00 0.00 C ATOM 201 NZ LYS A 62 2.220 8.741 -9.035 1.00 0.00 N ATOM 0 H LYS A 62 0.085 12.385 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.598 12.432 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.698 11.255 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.001 10.067 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.779 9.582 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.147 10.813 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.301 8.286 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.415 8.572 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.142 10.558 -8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.926 10.076 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.093 9.216 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.460 7.934 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.701 8.401 -9.870 1.00 0.00 H new ATOM 215 N GLU A 63 -3.349 10.880 -5.214 1.00 0.00 N ATOM 216 CA GLU A 63 -4.458 10.250 -4.513 1.00 0.00 C ATOM 217 C GLU A 63 -4.580 8.782 -4.879 1.00 0.00 C ATOM 218 O GLU A 63 -4.645 8.416 -6.055 1.00 0.00 O ATOM 219 CB GLU A 63 -5.776 10.966 -4.809 1.00 0.00 C ATOM 220 CG GLU A 63 -5.915 12.305 -4.112 1.00 0.00 C ATOM 221 CD GLU A 63 -7.280 12.922 -4.314 1.00 0.00 C ATOM 222 OE1 GLU A 63 -7.585 13.349 -5.448 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.056 12.993 -3.337 1.00 0.00 O ATOM 0 H GLU A 63 -3.514 11.044 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.248 10.327 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.863 11.116 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.603 10.323 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.732 12.177 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.152 12.987 -4.487 1.00 0.00 H new ATOM 230 N PHE A 64 -4.613 7.950 -3.859 1.00 0.00 N ATOM 231 CA PHE A 64 -4.783 6.518 -4.034 1.00 0.00 C ATOM 232 C PHE A 64 -5.895 6.008 -3.132 1.00 0.00 C ATOM 233 O PHE A 64 -6.307 6.709 -2.224 1.00 0.00 O ATOM 234 CB PHE A 64 -3.474 5.791 -3.735 1.00 0.00 C ATOM 235 CG PHE A 64 -2.728 5.386 -4.978 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.123 4.279 -5.709 1.00 0.00 C ATOM 237 CD2 PHE A 64 -1.636 6.117 -5.418 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.447 3.908 -6.854 1.00 0.00 C ATOM 239 CE2 PHE A 64 -0.952 5.749 -6.563 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.361 4.644 -7.282 1.00 0.00 C ATOM 0 H PHE A 64 -4.523 8.244 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.059 6.320 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.837 6.436 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.686 4.903 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.971 3.698 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.315 6.984 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.768 3.042 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.100 6.325 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.832 4.356 -8.178 1.00 0.00 H new ATOM 250 N ASP A 65 -6.383 4.801 -3.388 1.00 0.00 N ATOM 251 CA ASP A 65 -7.484 4.238 -2.601 1.00 0.00 C ATOM 252 C ASP A 65 -7.092 4.152 -1.139 1.00 0.00 C ATOM 253 O ASP A 65 -7.624 4.869 -0.292 1.00 0.00 O ATOM 254 CB ASP A 65 -7.857 2.840 -3.108 1.00 0.00 C ATOM 255 CG ASP A 65 -8.678 2.865 -4.376 1.00 0.00 C ATOM 256 OD1 ASP A 65 -8.158 3.319 -5.414 1.00 0.00 O ATOM 257 OD2 ASP A 65 -9.848 2.434 -4.335 1.00 0.00 O ATOM 0 H ASP A 65 -6.039 4.192 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.346 4.896 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.945 2.270 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.415 2.316 -2.332 1.00 0.00 H new ATOM 262 N TYR A 66 -6.144 3.281 -0.857 1.00 0.00 N ATOM 263 CA TYR A 66 -5.639 3.103 0.488 1.00 0.00 C ATOM 264 C TYR A 66 -4.123 3.057 0.466 1.00 0.00 C ATOM 265 O TYR A 66 -3.546 2.169 -0.152 1.00 0.00 O ATOM 266 CB TYR A 66 -6.175 1.800 1.090 1.00 0.00 C ATOM 267 CG TYR A 66 -7.654 1.820 1.416 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.116 2.382 2.600 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.587 1.269 0.545 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.464 2.396 2.906 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.937 1.280 0.842 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.371 1.844 2.024 1.00 0.00 C ATOM 273 OH TYR A 66 -11.715 1.855 2.329 1.00 0.00 O ATOM 0 H TYR A 66 -5.703 2.678 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.972 3.943 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.981 0.985 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.618 1.579 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.410 2.815 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.251 0.824 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.806 2.837 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.648 0.849 0.153 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.218 1.429 1.604 1.00 0.00 H new ATOM 283 N VAL A 67 -3.469 4.013 1.103 1.00 0.00 N ATOM 284 CA VAL A 67 -2.031 3.928 1.238 1.00 0.00 C ATOM 285 C VAL A 67 -1.674 3.560 2.674 1.00 0.00 C ATOM 286 O VAL A 67 -2.288 4.037 3.631 1.00 0.00 O ATOM 287 CB VAL A 67 -1.275 5.209 0.785 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.006 5.903 -0.357 1.00 0.00 C ATOM 289 CG2 VAL A 67 -1.016 6.167 1.935 1.00 0.00 C ATOM 0 H VAL A 67 -3.900 4.836 1.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.697 3.145 0.558 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.300 4.887 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.455 6.795 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.081 5.224 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.006 6.187 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.486 7.045 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.965 6.475 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.411 5.670 2.693 1.00 0.00 H new ATOM 299 N PHE A 68 -0.703 2.682 2.802 1.00 0.00 N ATOM 300 CA PHE A 68 -0.299 2.147 4.091 1.00 0.00 C ATOM 301 C PHE A 68 0.867 2.956 4.640 1.00 0.00 C ATOM 302 O PHE A 68 1.580 3.606 3.885 1.00 0.00 O ATOM 303 CB PHE A 68 0.092 0.674 3.919 1.00 0.00 C ATOM 304 CG PHE A 68 0.531 -0.016 5.179 1.00 0.00 C ATOM 305 CD1 PHE A 68 -0.269 -0.020 6.310 1.00 0.00 C ATOM 306 CD2 PHE A 68 1.754 -0.662 5.224 1.00 0.00 C ATOM 307 CE1 PHE A 68 0.146 -0.656 7.463 1.00 0.00 C ATOM 308 CE2 PHE A 68 2.175 -1.298 6.374 1.00 0.00 C ATOM 309 CZ PHE A 68 1.370 -1.295 7.496 1.00 0.00 C ATOM 0 H PHE A 68 -0.168 2.316 2.015 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.124 2.214 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.759 0.134 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.898 0.610 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.226 0.479 6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.387 -0.668 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.486 -0.654 8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.132 -1.797 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.697 -1.791 8.398 1.00 0.00 H new ATOM 319 N SER A 69 1.048 2.937 5.944 1.00 0.00 N ATOM 320 CA SER A 69 2.160 3.637 6.555 1.00 0.00 C ATOM 321 C SER A 69 3.287 2.648 6.834 1.00 0.00 C ATOM 322 O SER A 69 3.115 1.694 7.591 1.00 0.00 O ATOM 323 CB SER A 69 1.702 4.310 7.843 1.00 0.00 C ATOM 324 OG SER A 69 0.501 5.031 7.639 1.00 0.00 O ATOM 0 H SER A 69 0.441 2.446 6.601 1.00 0.00 H new ATOM 0 HA SER A 69 2.528 4.408 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.552 3.558 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.479 4.985 8.201 1.00 0.00 H new ATOM 0 HG SER A 69 0.226 5.453 8.480 1.00 0.00 H new ATOM 330 N ILE A 70 4.431 2.883 6.220 1.00 0.00 N ATOM 331 CA ILE A 70 5.544 1.952 6.287 1.00 0.00 C ATOM 332 C ILE A 70 6.754 2.605 6.935 1.00 0.00 C ATOM 333 O ILE A 70 7.312 3.557 6.404 1.00 0.00 O ATOM 334 CB ILE A 70 5.923 1.478 4.869 1.00 0.00 C ATOM 335 CG1 ILE A 70 4.733 0.775 4.215 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.155 0.585 4.895 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.037 0.189 2.856 1.00 0.00 C ATOM 0 H ILE A 70 4.616 3.718 5.664 1.00 0.00 H new ATOM 0 HA ILE A 70 5.236 1.098 6.890 1.00 0.00 H new ATOM 0 HB ILE A 70 6.176 2.351 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.388 -0.022 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.913 1.486 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.396 0.268 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.997 1.138 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.956 -0.292 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.143 -0.292 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.353 0.983 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.835 -0.548 2.948 1.00 0.00 H new ATOM 349 N ASP A 71 7.153 2.104 8.085 1.00 0.00 N ATOM 350 CA ASP A 71 8.345 2.612 8.741 1.00 0.00 C ATOM 351 C ASP A 71 9.507 1.650 8.568 1.00 0.00 C ATOM 352 O ASP A 71 9.354 0.439 8.714 1.00 0.00 O ATOM 353 CB ASP A 71 8.102 2.890 10.235 1.00 0.00 C ATOM 354 CG ASP A 71 7.835 1.643 11.057 1.00 0.00 C ATOM 355 OD1 ASP A 71 8.797 1.027 11.559 1.00 0.00 O ATOM 356 OD2 ASP A 71 6.650 1.284 11.229 1.00 0.00 O ATOM 0 H ASP A 71 6.676 1.352 8.583 1.00 0.00 H new ATOM 0 HA ASP A 71 8.597 3.559 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.971 3.404 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.254 3.568 10.335 1.00 0.00 H new ATOM 361 N VAL A 72 10.654 2.191 8.194 1.00 0.00 N ATOM 362 CA VAL A 72 11.916 1.473 8.323 1.00 0.00 C ATOM 363 C VAL A 72 12.657 2.060 9.514 1.00 0.00 C ATOM 364 O VAL A 72 13.693 1.560 9.952 1.00 0.00 O ATOM 365 CB VAL A 72 12.786 1.576 7.048 1.00 0.00 C ATOM 366 CG1 VAL A 72 12.096 0.897 5.873 1.00 0.00 C ATOM 367 CG2 VAL A 72 13.097 3.028 6.720 1.00 0.00 C ATOM 0 H VAL A 72 10.740 3.127 7.797 1.00 0.00 H new ATOM 0 HA VAL A 72 11.710 0.413 8.468 1.00 0.00 H new ATOM 0 HB VAL A 72 13.728 1.062 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.723 0.980 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.933 -0.155 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.137 1.380 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.710 3.074 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.166 3.571 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.638 3.481 7.551 1.00 0.00 H new ATOM 377 N ASN A 73 12.067 3.138 10.016 1.00 0.00 N ATOM 378 CA ASN A 73 12.541 3.875 11.173 1.00 0.00 C ATOM 379 C ASN A 73 11.536 4.982 11.454 1.00 0.00 C ATOM 380 O ASN A 73 11.089 5.654 10.525 1.00 0.00 O ATOM 381 CB ASN A 73 13.920 4.487 10.919 1.00 0.00 C ATOM 382 CG ASN A 73 14.402 5.298 12.104 1.00 0.00 C ATOM 383 OD1 ASN A 73 14.124 4.961 13.256 1.00 0.00 O ATOM 384 ND2 ASN A 73 15.102 6.384 11.833 1.00 0.00 N ATOM 0 H ASN A 73 11.218 3.533 9.613 1.00 0.00 H new ATOM 0 HA ASN A 73 12.635 3.199 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.636 3.693 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.878 5.124 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.434 6.979 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.311 6.628 10.865 1.00 0.00 H new ATOM 391 N GLU A 74 11.150 5.146 12.712 1.00 0.00 N ATOM 392 CA GLU A 74 10.173 6.162 13.071 1.00 0.00 C ATOM 393 C GLU A 74 10.715 7.558 12.794 1.00 0.00 C ATOM 394 O GLU A 74 11.797 7.926 13.259 1.00 0.00 O ATOM 395 CB GLU A 74 9.763 6.034 14.538 1.00 0.00 C ATOM 396 CG GLU A 74 9.086 4.716 14.868 1.00 0.00 C ATOM 397 CD GLU A 74 8.413 4.736 16.223 1.00 0.00 C ATOM 398 OE1 GLU A 74 7.234 5.137 16.296 1.00 0.00 O ATOM 399 OE2 GLU A 74 9.056 4.356 17.221 1.00 0.00 O ATOM 0 H GLU A 74 11.496 4.592 13.495 1.00 0.00 H new ATOM 0 HA GLU A 74 9.289 6.006 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.648 6.145 15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.089 6.852 14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.345 4.489 14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.825 3.915 14.844 1.00 0.00 H new ATOM 406 N GLY A 75 9.968 8.321 12.011 1.00 0.00 N ATOM 407 CA GLY A 75 10.370 9.669 11.679 1.00 0.00 C ATOM 408 C GLY A 75 11.074 9.737 10.341 1.00 0.00 C ATOM 409 O GLY A 75 10.441 9.969 9.311 1.00 0.00 O ATOM 0 H GLY A 75 9.084 8.026 11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.492 10.315 11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.031 10.052 12.456 1.00 0.00 H new ATOM 413 N GLY A 76 12.375 9.500 10.349 1.00 0.00 N ATOM 414 CA GLY A 76 13.145 9.603 9.129 1.00 0.00 C ATOM 415 C GLY A 76 13.765 8.285 8.711 1.00 0.00 C ATOM 416 O GLY A 76 14.659 7.774 9.387 1.00 0.00 O ATOM 0 H GLY A 76 12.911 9.239 11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.501 9.966 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.934 10.343 9.264 1.00 0.00 H new ATOM 420 N PRO A 77 13.309 7.705 7.595 1.00 0.00 N ATOM 421 CA PRO A 77 12.189 8.210 6.824 1.00 0.00 C ATOM 422 C PRO A 77 10.896 7.422 7.057 1.00 0.00 C ATOM 423 O PRO A 77 10.921 6.219 7.324 1.00 0.00 O ATOM 424 CB PRO A 77 12.689 7.990 5.402 1.00 0.00 C ATOM 425 CG PRO A 77 13.507 6.734 5.479 1.00 0.00 C ATOM 426 CD PRO A 77 13.897 6.540 6.933 1.00 0.00 C ATOM 0 HA PRO A 77 11.927 9.237 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.860 7.881 4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.288 8.833 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.935 5.880 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.394 6.813 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.502 5.607 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.979 6.509 7.059 1.00 0.00 H new ATOM 434 N SER A 78 9.769 8.101 6.952 1.00 0.00 N ATOM 435 CA SER A 78 8.481 7.436 7.013 1.00 0.00 C ATOM 436 C SER A 78 7.947 7.245 5.595 1.00 0.00 C ATOM 437 O SER A 78 7.855 8.202 4.825 1.00 0.00 O ATOM 438 CB SER A 78 7.505 8.251 7.864 1.00 0.00 C ATOM 439 OG SER A 78 8.067 8.527 9.138 1.00 0.00 O ATOM 0 H SER A 78 9.719 9.112 6.824 1.00 0.00 H new ATOM 0 HA SER A 78 8.594 6.458 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.263 9.185 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.571 7.702 7.983 1.00 0.00 H new ATOM 0 HG SER A 78 8.851 9.105 9.031 1.00 0.00 H new ATOM 445 N TYR A 79 7.617 6.010 5.254 1.00 0.00 N ATOM 446 CA TYR A 79 7.201 5.663 3.906 1.00 0.00 C ATOM 447 C TYR A 79 5.704 5.417 3.863 1.00 0.00 C ATOM 448 O TYR A 79 5.083 5.185 4.897 1.00 0.00 O ATOM 449 CB TYR A 79 7.941 4.405 3.443 1.00 0.00 C ATOM 450 CG TYR A 79 9.417 4.620 3.207 1.00 0.00 C ATOM 451 CD1 TYR A 79 9.868 5.719 2.490 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.359 3.727 3.703 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.214 5.924 2.274 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.709 3.925 3.488 1.00 0.00 C ATOM 455 CZ TYR A 79 12.130 5.025 2.772 1.00 0.00 C ATOM 456 OH TYR A 79 13.473 5.222 2.546 1.00 0.00 O ATOM 0 H TYR A 79 7.630 5.222 5.902 1.00 0.00 H new ATOM 0 HA TYR A 79 7.442 6.492 3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.812 3.623 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.484 4.044 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.153 6.425 2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.031 2.865 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.549 6.786 1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.430 3.222 3.878 1.00 0.00 H new ATOM 0 HH TYR A 79 13.985 4.499 2.965 1.00 0.00 H new ATOM 466 N LYS A 80 5.127 5.467 2.672 1.00 0.00 N ATOM 467 CA LYS A 80 3.706 5.192 2.500 1.00 0.00 C ATOM 468 C LYS A 80 3.505 4.291 1.282 1.00 0.00 C ATOM 469 O LYS A 80 4.187 4.455 0.275 1.00 0.00 O ATOM 470 CB LYS A 80 2.906 6.490 2.321 1.00 0.00 C ATOM 471 CG LYS A 80 3.085 7.491 3.452 1.00 0.00 C ATOM 472 CD LYS A 80 2.613 6.933 4.784 1.00 0.00 C ATOM 473 CE LYS A 80 1.105 6.832 4.844 1.00 0.00 C ATOM 474 NZ LYS A 80 0.563 7.230 6.171 1.00 0.00 N ATOM 0 H LYS A 80 5.620 5.695 1.809 1.00 0.00 H new ATOM 0 HA LYS A 80 3.343 4.691 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.202 6.960 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.848 6.243 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.136 7.769 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.530 8.401 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.051 5.947 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.968 7.572 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.670 7.466 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.803 5.808 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.249 7.866 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.257 6.382 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.301 7.721 6.715 1.00 0.00 H new ATOM 488 N LEU A 81 2.563 3.363 1.367 1.00 0.00 N ATOM 489 CA LEU A 81 2.348 2.384 0.302 1.00 0.00 C ATOM 490 C LEU A 81 0.999 2.622 -0.362 1.00 0.00 C ATOM 491 O LEU A 81 -0.023 2.156 0.136 1.00 0.00 O ATOM 492 CB LEU A 81 2.376 0.961 0.869 1.00 0.00 C ATOM 493 CG LEU A 81 2.908 -0.134 -0.061 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.184 -1.432 0.204 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.767 0.248 -1.523 1.00 0.00 C ATOM 0 H LEU A 81 1.932 3.264 2.163 1.00 0.00 H new ATOM 0 HA LEU A 81 3.146 2.498 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.984 0.966 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.363 0.693 1.168 1.00 0.00 H new ATOM 0 HG LEU A 81 3.971 -0.257 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.568 -2.205 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.343 -1.732 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.117 -1.297 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.156 -0.556 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.715 0.412 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.329 1.162 -1.716 1.00 0.00 H new ATOM 507 N PRO A 82 0.973 3.359 -1.475 1.00 0.00 N ATOM 508 CA PRO A 82 -0.260 3.634 -2.221 1.00 0.00 C ATOM 509 C PRO A 82 -0.817 2.396 -2.901 1.00 0.00 C ATOM 510 O PRO A 82 -0.107 1.720 -3.646 1.00 0.00 O ATOM 511 CB PRO A 82 0.179 4.646 -3.275 1.00 0.00 C ATOM 512 CG PRO A 82 1.481 5.164 -2.794 1.00 0.00 C ATOM 513 CD PRO A 82 2.128 4.007 -2.101 1.00 0.00 C ATOM 0 HA PRO A 82 -1.054 3.988 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.279 4.177 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.551 5.449 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.094 5.521 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.344 6.005 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.641 3.345 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.866 4.329 -1.366 1.00 0.00 H new ATOM 521 N TYR A 83 -2.090 2.119 -2.660 1.00 0.00 N ATOM 522 CA TYR A 83 -2.741 0.950 -3.216 1.00 0.00 C ATOM 523 C TYR A 83 -4.130 1.295 -3.743 1.00 0.00 C ATOM 524 O TYR A 83 -4.948 1.882 -3.035 1.00 0.00 O ATOM 525 CB TYR A 83 -2.845 -0.151 -2.152 1.00 0.00 C ATOM 526 CG TYR A 83 -3.698 -1.326 -2.575 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.426 -2.014 -3.749 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.773 -1.742 -1.802 1.00 0.00 C ATOM 529 CE1 TYR A 83 -4.205 -3.083 -4.145 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.553 -2.813 -2.190 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.267 -3.478 -3.363 1.00 0.00 C ATOM 532 OH TYR A 83 -6.050 -4.539 -3.752 1.00 0.00 O ATOM 0 H TYR A 83 -2.695 2.697 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.138 0.590 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.843 -0.508 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.258 0.277 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.592 -1.708 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.002 -1.221 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.982 -3.606 -5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.384 -3.129 -1.577 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.758 -4.856 -4.632 1.00 0.00 H new ATOM 542 N ASN A 84 -4.376 0.952 -4.997 1.00 0.00 N ATOM 543 CA ASN A 84 -5.718 1.002 -5.558 1.00 0.00 C ATOM 544 C ASN A 84 -6.284 -0.410 -5.568 1.00 0.00 C ATOM 545 O ASN A 84 -5.632 -1.337 -6.038 1.00 0.00 O ATOM 546 CB ASN A 84 -5.705 1.612 -6.970 1.00 0.00 C ATOM 547 CG ASN A 84 -4.804 0.868 -7.942 1.00 0.00 C ATOM 548 OD1 ASN A 84 -3.591 1.066 -7.948 1.00 0.00 O ATOM 549 ND2 ASN A 84 -5.391 0.043 -8.796 1.00 0.00 N ATOM 0 H ASN A 84 -3.660 0.634 -5.650 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.352 1.644 -4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.722 1.621 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.379 2.650 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.833 -0.454 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.401 -0.095 -8.759 1.00 0.00 H new ATOM 556 N THR A 85 -7.492 -0.571 -5.049 1.00 0.00 N ATOM 557 CA THR A 85 -8.044 -1.894 -4.756 1.00 0.00 C ATOM 558 C THR A 85 -8.252 -2.746 -6.012 1.00 0.00 C ATOM 559 O THR A 85 -8.548 -3.940 -5.925 1.00 0.00 O ATOM 560 CB THR A 85 -9.366 -1.769 -3.979 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.313 -1.005 -4.740 1.00 0.00 O ATOM 562 CG2 THR A 85 -9.122 -1.084 -2.648 1.00 0.00 C ATOM 0 H THR A 85 -8.116 0.202 -4.819 1.00 0.00 H new ATOM 0 HA THR A 85 -7.305 -2.407 -4.140 1.00 0.00 H new ATOM 0 HB THR A 85 -9.765 -2.768 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.152 -0.932 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.063 -1.000 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.415 -1.671 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.712 -0.089 -2.821 1.00 0.00 H new ATOM 570 N SER A 86 -8.123 -2.124 -7.169 1.00 0.00 N ATOM 571 CA SER A 86 -8.241 -2.819 -8.441 1.00 0.00 C ATOM 572 C SER A 86 -6.908 -3.439 -8.887 1.00 0.00 C ATOM 573 O SER A 86 -6.841 -4.099 -9.924 1.00 0.00 O ATOM 574 CB SER A 86 -8.764 -1.850 -9.499 1.00 0.00 C ATOM 575 OG SER A 86 -8.060 -0.615 -9.459 1.00 0.00 O ATOM 0 H SER A 86 -7.934 -1.125 -7.256 1.00 0.00 H new ATOM 0 HA SER A 86 -8.945 -3.642 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.662 -2.298 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.827 -1.671 -9.338 1.00 0.00 H new ATOM 0 HG SER A 86 -7.461 -0.555 -10.232 1.00 0.00 H new ATOM 581 N ASP A 87 -5.846 -3.212 -8.121 1.00 0.00 N ATOM 582 CA ASP A 87 -4.514 -3.679 -8.509 1.00 0.00 C ATOM 583 C ASP A 87 -4.087 -4.882 -7.667 1.00 0.00 C ATOM 584 O ASP A 87 -4.670 -5.155 -6.616 1.00 0.00 O ATOM 585 CB ASP A 87 -3.498 -2.545 -8.360 1.00 0.00 C ATOM 586 CG ASP A 87 -2.242 -2.778 -9.176 1.00 0.00 C ATOM 587 OD1 ASP A 87 -2.276 -2.532 -10.402 1.00 0.00 O ATOM 588 OD2 ASP A 87 -1.217 -3.193 -8.599 1.00 0.00 O ATOM 0 H ASP A 87 -5.878 -2.711 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.552 -3.992 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.959 -1.606 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.230 -2.438 -7.309 1.00 0.00 H new ATOM 593 N ASP A 88 -3.060 -5.589 -8.134 1.00 0.00 N ATOM 594 CA ASP A 88 -2.590 -6.803 -7.471 1.00 0.00 C ATOM 595 C ASP A 88 -1.549 -6.484 -6.409 1.00 0.00 C ATOM 596 O ASP A 88 -0.800 -5.517 -6.542 1.00 0.00 O ATOM 597 CB ASP A 88 -1.982 -7.790 -8.472 1.00 0.00 C ATOM 598 CG ASP A 88 -3.015 -8.445 -9.369 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.840 -9.230 -8.856 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.980 -8.217 -10.598 1.00 0.00 O ATOM 0 H ASP A 88 -2.536 -5.340 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.462 -7.258 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.253 -7.267 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.441 -8.563 -7.927 1.00 0.00 H new ATOM 605 N PRO A 89 -1.475 -7.303 -5.352 1.00 0.00 N ATOM 606 CA PRO A 89 -0.550 -7.095 -4.236 1.00 0.00 C ATOM 607 C PRO A 89 0.880 -6.893 -4.689 1.00 0.00 C ATOM 608 O PRO A 89 1.456 -5.819 -4.501 1.00 0.00 O ATOM 609 CB PRO A 89 -0.651 -8.390 -3.419 1.00 0.00 C ATOM 610 CG PRO A 89 -1.418 -9.344 -4.277 1.00 0.00 C ATOM 611 CD PRO A 89 -2.291 -8.506 -5.156 1.00 0.00 C ATOM 0 HA PRO A 89 -0.811 -6.196 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.338 -8.783 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.161 -8.217 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.744 -9.961 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.016 -10.022 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.515 -9.004 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.245 -8.277 -4.682 1.00 0.00 H new ATOM 619 N TRP A 90 1.439 -7.928 -5.297 1.00 0.00 N ATOM 620 CA TRP A 90 2.823 -7.909 -5.728 1.00 0.00 C ATOM 621 C TRP A 90 3.097 -6.755 -6.679 1.00 0.00 C ATOM 622 O TRP A 90 4.172 -6.179 -6.649 1.00 0.00 O ATOM 623 CB TRP A 90 3.204 -9.249 -6.367 1.00 0.00 C ATOM 624 CG TRP A 90 2.113 -9.860 -7.201 1.00 0.00 C ATOM 625 CD1 TRP A 90 1.801 -9.566 -8.497 1.00 0.00 C ATOM 626 CD2 TRP A 90 1.200 -10.881 -6.789 1.00 0.00 C ATOM 627 NE1 TRP A 90 0.739 -10.334 -8.910 1.00 0.00 N ATOM 628 CE2 TRP A 90 0.355 -11.151 -7.880 1.00 0.00 C ATOM 629 CE3 TRP A 90 1.012 -11.592 -5.600 1.00 0.00 C ATOM 630 CZ2 TRP A 90 -0.661 -12.100 -7.818 1.00 0.00 C ATOM 631 CZ3 TRP A 90 0.003 -12.533 -5.540 1.00 0.00 C ATOM 632 CH2 TRP A 90 -0.820 -12.781 -6.644 1.00 0.00 C ATOM 0 H TRP A 90 0.948 -8.798 -5.503 1.00 0.00 H new ATOM 0 HA TRP A 90 3.445 -7.757 -4.846 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.086 -9.105 -6.990 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.481 -9.950 -5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 90 2.313 -8.837 -9.108 1.00 0.00 H new ATOM 0 HE1 TRP A 90 0.307 -10.301 -9.833 1.00 0.00 H new ATOM 0 HE3 TRP A 90 1.644 -11.409 -4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -1.301 -12.291 -8.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -0.153 -13.087 -4.626 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -1.598 -13.527 -6.567 1.00 0.00 H new ATOM 643 N LEU A 91 2.119 -6.397 -7.497 1.00 0.00 N ATOM 644 CA LEU A 91 2.306 -5.320 -8.457 1.00 0.00 C ATOM 645 C LEU A 91 2.341 -3.966 -7.757 1.00 0.00 C ATOM 646 O LEU A 91 3.248 -3.171 -7.981 1.00 0.00 O ATOM 647 CB LEU A 91 1.186 -5.337 -9.492 1.00 0.00 C ATOM 648 CG LEU A 91 1.064 -6.623 -10.304 1.00 0.00 C ATOM 649 CD1 LEU A 91 -0.038 -6.488 -11.340 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.387 -6.947 -10.969 1.00 0.00 C ATOM 0 H LEU A 91 1.196 -6.831 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 91 3.262 -5.475 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.240 -5.159 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.338 -4.506 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 91 0.805 -7.442 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.114 -7.412 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.986 -6.292 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.194 -5.663 -12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.289 -7.867 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.670 -6.130 -11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.155 -7.077 -10.207 1.00 0.00 H new ATOM 662 N THR A 92 1.379 -3.730 -6.873 1.00 0.00 N ATOM 663 CA THR A 92 1.321 -2.485 -6.114 1.00 0.00 C ATOM 664 C THR A 92 2.548 -2.340 -5.228 1.00 0.00 C ATOM 665 O THR A 92 3.158 -1.267 -5.141 1.00 0.00 O ATOM 666 CB THR A 92 0.047 -2.433 -5.248 1.00 0.00 C ATOM 667 OG1 THR A 92 -1.115 -2.394 -6.084 1.00 0.00 O ATOM 668 CG2 THR A 92 0.052 -1.224 -4.327 1.00 0.00 C ATOM 0 H THR A 92 0.626 -4.386 -6.663 1.00 0.00 H new ATOM 0 HA THR A 92 1.298 -1.660 -6.826 1.00 0.00 H new ATOM 0 HB THR A 92 0.026 -3.333 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.852 -2.544 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.860 -1.217 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.917 -1.274 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.102 -0.313 -4.923 1.00 0.00 H new ATOM 676 N ALA A 93 2.912 -3.434 -4.585 1.00 0.00 N ATOM 677 CA ALA A 93 4.063 -3.469 -3.714 1.00 0.00 C ATOM 678 C ALA A 93 5.350 -3.271 -4.505 1.00 0.00 C ATOM 679 O ALA A 93 6.237 -2.532 -4.085 1.00 0.00 O ATOM 680 CB ALA A 93 4.086 -4.792 -2.986 1.00 0.00 C ATOM 0 H ALA A 93 2.415 -4.322 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 93 3.992 -2.655 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.952 -4.829 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.175 -4.899 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.147 -5.605 -3.710 1.00 0.00 H new ATOM 686 N TYR A 94 5.434 -3.925 -5.659 1.00 0.00 N ATOM 687 CA TYR A 94 6.604 -3.829 -6.515 1.00 0.00 C ATOM 688 C TYR A 94 6.743 -2.406 -7.035 1.00 0.00 C ATOM 689 O TYR A 94 7.846 -1.873 -7.129 1.00 0.00 O ATOM 690 CB TYR A 94 6.477 -4.805 -7.684 1.00 0.00 C ATOM 691 CG TYR A 94 7.793 -5.163 -8.332 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.421 -4.285 -9.197 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.402 -6.383 -8.080 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.625 -4.608 -9.798 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.606 -6.717 -8.671 1.00 0.00 C ATOM 696 CZ TYR A 94 10.214 -5.827 -9.531 1.00 0.00 C ATOM 697 OH TYR A 94 11.415 -6.159 -10.124 1.00 0.00 O ATOM 0 H TYR A 94 4.698 -4.531 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 94 7.492 -4.086 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.998 -5.718 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.820 -4.370 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.963 -3.330 -9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.927 -7.085 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.101 -3.911 -10.472 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.068 -7.670 -8.460 1.00 0.00 H new ATOM 0 HH TYR A 94 11.691 -7.051 -9.827 1.00 0.00 H new ATOM 707 N ASN A 95 5.605 -1.797 -7.359 1.00 0.00 N ATOM 708 CA ASN A 95 5.580 -0.422 -7.850 1.00 0.00 C ATOM 709 C ASN A 95 6.130 0.546 -6.813 1.00 0.00 C ATOM 710 O ASN A 95 6.961 1.385 -7.136 1.00 0.00 O ATOM 711 CB ASN A 95 4.162 -0.006 -8.260 1.00 0.00 C ATOM 712 CG ASN A 95 3.732 -0.641 -9.569 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.564 -0.934 -10.430 1.00 0.00 O ATOM 714 ND2 ASN A 95 2.435 -0.846 -9.738 1.00 0.00 N ATOM 0 H ASN A 95 4.687 -2.235 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 95 6.221 -0.382 -8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.461 -0.288 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.117 1.079 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.093 -1.260 -10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.778 -0.590 -9.001 1.00 0.00 H new ATOM 721 N PHE A 96 5.688 0.421 -5.565 1.00 0.00 N ATOM 722 CA PHE A 96 6.219 1.263 -4.497 1.00 0.00 C ATOM 723 C PHE A 96 7.681 0.924 -4.230 1.00 0.00 C ATOM 724 O PHE A 96 8.505 1.817 -4.018 1.00 0.00 O ATOM 725 CB PHE A 96 5.396 1.117 -3.215 1.00 0.00 C ATOM 726 CG PHE A 96 6.033 1.766 -2.017 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.240 3.136 -1.987 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.434 1.008 -0.926 1.00 0.00 C ATOM 729 CE1 PHE A 96 6.829 3.739 -0.893 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.024 1.608 0.171 1.00 0.00 C ATOM 731 CZ PHE A 96 7.220 2.975 0.187 1.00 0.00 C ATOM 0 H PHE A 96 4.974 -0.245 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 96 6.152 2.301 -4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.410 1.554 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.246 0.058 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.937 3.740 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.284 -0.061 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.983 4.808 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.331 1.008 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.679 3.445 1.044 1.00 0.00 H new ATOM 741 N LEU A 97 7.998 -0.365 -4.259 1.00 0.00 N ATOM 742 CA LEU A 97 9.360 -0.823 -4.033 1.00 0.00 C ATOM 743 C LEU A 97 10.315 -0.223 -5.060 1.00 0.00 C ATOM 744 O LEU A 97 11.373 0.278 -4.705 1.00 0.00 O ATOM 745 CB LEU A 97 9.416 -2.348 -4.079 1.00 0.00 C ATOM 746 CG LEU A 97 10.091 -3.002 -2.880 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.287 -2.727 -1.622 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.236 -4.495 -3.099 1.00 0.00 C ATOM 0 H LEU A 97 7.327 -1.112 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 97 9.675 -0.488 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.399 -2.732 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.943 -2.650 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 97 11.088 -2.576 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.775 -3.197 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.225 -1.651 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.283 -3.135 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.720 -4.945 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.250 -4.940 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.842 -4.675 -3.987 1.00 0.00 H new ATOM 760 N GLN A 98 9.930 -0.260 -6.329 1.00 0.00 N ATOM 761 CA GLN A 98 10.725 0.354 -7.390 1.00 0.00 C ATOM 762 C GLN A 98 10.700 1.870 -7.279 1.00 0.00 C ATOM 763 O GLN A 98 11.707 2.537 -7.509 1.00 0.00 O ATOM 764 CB GLN A 98 10.211 -0.061 -8.766 1.00 0.00 C ATOM 765 CG GLN A 98 10.689 -1.430 -9.206 1.00 0.00 C ATOM 766 CD GLN A 98 12.191 -1.482 -9.404 1.00 0.00 C ATOM 767 OE1 GLN A 98 12.944 -1.807 -8.486 1.00 0.00 O ATOM 768 NE2 GLN A 98 12.635 -1.138 -10.602 1.00 0.00 N ATOM 0 H GLN A 98 9.072 -0.708 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 98 11.751 0.005 -7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.121 -0.052 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.528 0.679 -9.501 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.398 -2.170 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 98 10.193 -1.703 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 98 11.975 -0.875 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.637 -1.135 -10.793 1.00 0.00 H new ATOM 777 N LYS A 99 9.541 2.400 -6.915 1.00 0.00 N ATOM 778 CA LYS A 99 9.332 3.839 -6.828 1.00 0.00 C ATOM 779 C LYS A 99 10.275 4.473 -5.807 1.00 0.00 C ATOM 780 O LYS A 99 10.891 5.506 -6.073 1.00 0.00 O ATOM 781 CB LYS A 99 7.866 4.114 -6.454 1.00 0.00 C ATOM 782 CG LYS A 99 7.489 5.585 -6.367 1.00 0.00 C ATOM 783 CD LYS A 99 7.862 6.177 -5.018 1.00 0.00 C ATOM 784 CE LYS A 99 7.414 7.622 -4.893 1.00 0.00 C ATOM 785 NZ LYS A 99 5.971 7.801 -5.205 1.00 0.00 N ATOM 0 H LYS A 99 8.720 1.846 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 99 9.551 4.287 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.223 3.633 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.658 3.644 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.992 6.138 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.417 5.697 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.407 5.586 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.942 6.118 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.609 7.973 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.007 8.242 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.656 8.733 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.828 7.739 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.419 7.056 -4.733 1.00 0.00 H new ATOM 799 N ASN A 100 10.399 3.850 -4.645 1.00 0.00 N ATOM 800 CA ASN A 100 11.229 4.407 -3.589 1.00 0.00 C ATOM 801 C ASN A 100 12.602 3.750 -3.590 1.00 0.00 C ATOM 802 O ASN A 100 13.504 4.150 -2.855 1.00 0.00 O ATOM 803 CB ASN A 100 10.582 4.225 -2.219 1.00 0.00 C ATOM 804 CG ASN A 100 10.974 5.333 -1.259 1.00 0.00 C ATOM 805 OD1 ASN A 100 10.277 6.342 -1.137 1.00 0.00 O ATOM 806 ND2 ASN A 100 12.104 5.169 -0.591 1.00 0.00 N ATOM 0 H ASN A 100 9.941 2.969 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 100 11.335 5.474 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.498 4.206 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.877 3.262 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.426 5.892 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.653 4.319 -0.719 1.00 0.00 H new ATOM 813 N ASP A 101 12.729 2.728 -4.431 1.00 0.00 N ATOM 814 CA ASP A 101 13.929 1.893 -4.514 1.00 0.00 C ATOM 815 C ASP A 101 14.172 1.170 -3.193 1.00 0.00 C ATOM 816 O ASP A 101 15.217 1.315 -2.564 1.00 0.00 O ATOM 817 CB ASP A 101 15.162 2.705 -4.919 1.00 0.00 C ATOM 818 CG ASP A 101 16.327 1.811 -5.304 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.316 1.273 -6.428 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.259 1.639 -4.487 1.00 0.00 O ATOM 0 H ASP A 101 11.995 2.451 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 101 13.757 1.151 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.910 3.354 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.458 3.352 -4.093 1.00 0.00 H new ATOM 825 N LEU A 102 13.177 0.412 -2.759 1.00 0.00 N ATOM 826 CA LEU A 102 13.312 -0.410 -1.571 1.00 0.00 C ATOM 827 C LEU A 102 13.907 -1.757 -1.946 1.00 0.00 C ATOM 828 O LEU A 102 14.207 -2.016 -3.110 1.00 0.00 O ATOM 829 CB LEU A 102 11.959 -0.626 -0.882 1.00 0.00 C ATOM 830 CG LEU A 102 11.264 0.621 -0.335 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.241 1.760 -0.130 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.135 1.031 -1.251 1.00 0.00 C ATOM 0 H LEU A 102 12.266 0.350 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 102 13.971 0.110 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.287 -1.106 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.104 -1.325 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 102 10.849 0.376 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.710 2.629 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.010 1.456 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.706 2.016 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.647 1.920 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.532 1.249 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.410 0.220 -1.321 1.00 0.00 H new ATOM 844 N ASN A 103 14.056 -2.614 -0.958 1.00 0.00 N ATOM 845 CA ASN A 103 14.631 -3.930 -1.173 1.00 0.00 C ATOM 846 C ASN A 103 13.531 -4.934 -1.483 1.00 0.00 C ATOM 847 O ASN A 103 12.464 -4.895 -0.873 1.00 0.00 O ATOM 848 CB ASN A 103 15.390 -4.368 0.076 1.00 0.00 C ATOM 849 CG ASN A 103 16.364 -5.494 -0.202 1.00 0.00 C ATOM 850 OD1 ASN A 103 16.016 -6.670 -0.099 1.00 0.00 O ATOM 851 ND2 ASN A 103 17.585 -5.141 -0.567 1.00 0.00 N ATOM 0 H ASN A 103 13.786 -2.424 0.007 1.00 0.00 H new ATOM 0 HA ASN A 103 15.319 -3.885 -2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.932 -3.516 0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.678 -4.688 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.282 -5.856 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.830 -4.154 -0.639 1.00 0.00 H new ATOM 858 N PRO A 104 13.779 -5.849 -2.438 1.00 0.00 N ATOM 859 CA PRO A 104 12.807 -6.877 -2.848 1.00 0.00 C ATOM 860 C PRO A 104 12.390 -7.785 -1.692 1.00 0.00 C ATOM 861 O PRO A 104 11.449 -8.563 -1.812 1.00 0.00 O ATOM 862 CB PRO A 104 13.557 -7.676 -3.921 1.00 0.00 C ATOM 863 CG PRO A 104 14.619 -6.755 -4.406 1.00 0.00 C ATOM 864 CD PRO A 104 15.028 -5.949 -3.210 1.00 0.00 C ATOM 0 HA PRO A 104 11.877 -6.434 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 104 13.984 -8.590 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.891 -7.973 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.464 -7.310 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.247 -6.112 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.816 -6.442 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.407 -4.967 -3.495 1.00 0.00 H new ATOM 872 N MET A 105 13.101 -7.671 -0.574 1.00 0.00 N ATOM 873 CA MET A 105 12.747 -8.369 0.659 1.00 0.00 C ATOM 874 C MET A 105 11.445 -7.811 1.240 1.00 0.00 C ATOM 875 O MET A 105 10.757 -8.476 2.013 1.00 0.00 O ATOM 876 CB MET A 105 13.884 -8.223 1.679 1.00 0.00 C ATOM 877 CG MET A 105 13.565 -8.772 3.062 1.00 0.00 C ATOM 878 SD MET A 105 13.291 -10.554 3.069 1.00 0.00 S ATOM 879 CE MET A 105 12.893 -10.811 4.797 1.00 0.00 C ATOM 0 H MET A 105 13.938 -7.093 -0.497 1.00 0.00 H new ATOM 0 HA MET A 105 12.597 -9.425 0.434 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.768 -8.732 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.139 -7.167 1.771 1.00 0.00 H new ATOM 0 HG2 MET A 105 14.385 -8.534 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.677 -8.272 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 105 12.695 -11.869 4.971 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.732 -10.492 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 105 12.009 -10.229 5.057 1.00 0.00 H new ATOM 889 N PHE A 106 11.091 -6.595 0.840 1.00 0.00 N ATOM 890 CA PHE A 106 9.927 -5.930 1.400 1.00 0.00 C ATOM 891 C PHE A 106 8.685 -6.253 0.589 1.00 0.00 C ATOM 892 O PHE A 106 7.574 -6.181 1.104 1.00 0.00 O ATOM 893 CB PHE A 106 10.141 -4.416 1.445 1.00 0.00 C ATOM 894 CG PHE A 106 11.236 -3.980 2.379 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.121 -4.201 3.742 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.377 -3.349 1.900 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.120 -3.804 4.610 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.379 -2.949 2.765 1.00 0.00 C ATOM 899 CZ PHE A 106 13.249 -3.177 4.123 1.00 0.00 C ATOM 0 H PHE A 106 11.592 -6.055 0.134 1.00 0.00 H new ATOM 0 HA PHE A 106 9.786 -6.295 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.372 -4.062 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.209 -3.937 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.240 -4.690 4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.483 -3.169 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.017 -3.984 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.262 -2.459 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.030 -2.865 4.801 1.00 0.00 H new ATOM 909 N LEU A 107 8.892 -6.640 -0.666 1.00 0.00 N ATOM 910 CA LEU A 107 7.802 -6.884 -1.610 1.00 0.00 C ATOM 911 C LEU A 107 6.770 -7.856 -1.040 1.00 0.00 C ATOM 912 O LEU A 107 5.568 -7.629 -1.159 1.00 0.00 O ATOM 913 CB LEU A 107 8.381 -7.413 -2.930 1.00 0.00 C ATOM 914 CG LEU A 107 7.373 -7.909 -3.967 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.361 -6.832 -4.284 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.090 -8.319 -5.237 1.00 0.00 C ATOM 0 H LEU A 107 9.820 -6.794 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 107 7.285 -5.942 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.975 -6.620 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.064 -8.231 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 107 6.852 -8.771 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.653 -7.205 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.826 -6.557 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.874 -5.956 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.362 -8.671 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.628 -7.463 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.796 -9.119 -5.014 1.00 0.00 H new ATOM 928 N ASP A 108 7.246 -8.911 -0.402 1.00 0.00 N ATOM 929 CA ASP A 108 6.357 -9.918 0.165 1.00 0.00 C ATOM 930 C ASP A 108 5.512 -9.343 1.296 1.00 0.00 C ATOM 931 O ASP A 108 4.304 -9.571 1.355 1.00 0.00 O ATOM 932 CB ASP A 108 7.162 -11.117 0.681 1.00 0.00 C ATOM 933 CG ASP A 108 7.811 -11.913 -0.430 1.00 0.00 C ATOM 934 OD1 ASP A 108 8.866 -11.482 -0.944 1.00 0.00 O ATOM 935 OD2 ASP A 108 7.283 -12.990 -0.781 1.00 0.00 O ATOM 0 H ASP A 108 8.239 -9.095 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 108 5.688 -10.248 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.933 -10.763 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.504 -11.771 1.253 1.00 0.00 H new ATOM 940 N GLN A 109 6.142 -8.576 2.180 1.00 0.00 N ATOM 941 CA GLN A 109 5.462 -8.069 3.366 1.00 0.00 C ATOM 942 C GLN A 109 4.379 -7.057 2.982 1.00 0.00 C ATOM 943 O GLN A 109 3.264 -7.099 3.506 1.00 0.00 O ATOM 944 CB GLN A 109 6.467 -7.449 4.354 1.00 0.00 C ATOM 945 CG GLN A 109 6.818 -6.000 4.068 1.00 0.00 C ATOM 946 CD GLN A 109 7.734 -5.397 5.112 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.547 -6.091 5.721 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.609 -4.097 5.328 1.00 0.00 N ATOM 0 H GLN A 109 7.118 -8.293 2.098 1.00 0.00 H new ATOM 0 HA GLN A 109 4.978 -8.910 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.057 -7.518 5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.382 -8.041 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 109 7.296 -5.934 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.901 -5.413 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.922 -3.556 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.199 -3.636 6.020 1.00 0.00 H new ATOM 957 N VAL A 110 4.701 -6.167 2.046 1.00 0.00 N ATOM 958 CA VAL A 110 3.758 -5.150 1.622 1.00 0.00 C ATOM 959 C VAL A 110 2.603 -5.764 0.846 1.00 0.00 C ATOM 960 O VAL A 110 1.445 -5.443 1.102 1.00 0.00 O ATOM 961 CB VAL A 110 4.426 -4.038 0.787 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.053 -3.009 1.699 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.488 -4.597 -0.130 1.00 0.00 C ATOM 0 H VAL A 110 5.604 -6.134 1.573 1.00 0.00 H new ATOM 0 HA VAL A 110 3.370 -4.690 2.531 1.00 0.00 H new ATOM 0 HB VAL A 110 3.650 -3.574 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.522 -2.229 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.284 -2.567 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.807 -3.488 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.938 -3.786 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.257 -5.092 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.037 -5.317 -0.813 1.00 0.00 H new ATOM 973 N ALA A 111 2.917 -6.678 -0.069 1.00 0.00 N ATOM 974 CA ALA A 111 1.898 -7.300 -0.906 1.00 0.00 C ATOM 975 C ALA A 111 0.910 -8.108 -0.072 1.00 0.00 C ATOM 976 O ALA A 111 -0.285 -8.110 -0.354 1.00 0.00 O ATOM 977 CB ALA A 111 2.544 -8.180 -1.961 1.00 0.00 C ATOM 0 H ALA A 111 3.867 -7.003 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 111 1.343 -6.504 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.770 -8.637 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.198 -7.575 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.129 -8.961 -1.475 1.00 0.00 H new ATOM 983 N LYS A 112 1.405 -8.783 0.959 1.00 0.00 N ATOM 984 CA LYS A 112 0.539 -9.574 1.826 1.00 0.00 C ATOM 985 C LYS A 112 -0.427 -8.684 2.595 1.00 0.00 C ATOM 986 O LYS A 112 -1.588 -9.048 2.788 1.00 0.00 O ATOM 987 CB LYS A 112 1.364 -10.435 2.783 1.00 0.00 C ATOM 988 CG LYS A 112 2.022 -11.622 2.097 1.00 0.00 C ATOM 989 CD LYS A 112 0.988 -12.566 1.502 1.00 0.00 C ATOM 990 CE LYS A 112 0.141 -13.228 2.577 1.00 0.00 C ATOM 991 NZ LYS A 112 0.939 -14.156 3.419 1.00 0.00 N ATOM 0 H LYS A 112 2.393 -8.799 1.214 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.049 -10.239 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.134 -9.818 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.720 -10.797 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.687 -11.266 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.639 -12.162 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.342 -12.014 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.492 -13.333 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.309 -12.461 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.677 -13.775 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.300 -14.723 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.496 -14.787 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.581 -13.608 4.027 1.00 0.00 H new ATOM 1005 N PHE A 113 0.040 -7.513 3.023 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.845 -6.555 3.675 1.00 0.00 C ATOM 1007 C PHE A 113 -1.876 -6.044 2.666 1.00 0.00 C ATOM 1008 O PHE A 113 -3.058 -5.905 2.983 1.00 0.00 O ATOM 1009 CB PHE A 113 -0.050 -5.386 4.266 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.805 -4.636 5.329 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.793 -3.726 4.994 1.00 0.00 C ATOM 1012 CD2 PHE A 113 -0.529 -4.853 6.670 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -2.496 -3.048 5.973 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -1.227 -4.177 7.655 1.00 0.00 C ATOM 1015 CZ PHE A 113 -2.211 -3.274 7.307 1.00 0.00 C ATOM 0 H PHE A 113 1.010 -7.209 2.932 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.360 -7.056 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.881 -5.764 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.220 -4.697 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.018 -3.543 3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.240 -5.558 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.266 -2.343 5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.002 -4.356 8.696 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.757 -2.745 8.074 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.408 -5.789 1.448 1.00 0.00 N ATOM 1026 CA ILE A 114 -2.267 -5.375 0.341 1.00 0.00 C ATOM 1027 C ILE A 114 -3.361 -6.410 0.074 1.00 0.00 C ATOM 1028 O ILE A 114 -4.512 -6.074 -0.210 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.432 -5.190 -0.933 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.439 -4.047 -0.779 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.320 -4.948 -2.132 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.688 -4.124 -1.779 1.00 0.00 C ATOM 0 H ILE A 114 -0.422 -5.863 1.199 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.736 -4.431 0.619 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.873 -6.112 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.961 -3.098 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.027 -4.061 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.703 -4.820 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.985 -5.801 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.913 -4.048 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.368 -3.286 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.230 -5.060 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.281 -4.082 -2.789 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.993 -7.675 0.143 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.961 -8.738 -0.014 1.00 0.00 C ATOM 1046 C ILE A 115 -4.972 -8.705 1.112 1.00 0.00 C ATOM 1047 O ILE A 115 -6.169 -8.685 0.872 1.00 0.00 O ATOM 1048 CB ILE A 115 -3.297 -10.124 -0.047 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.536 -10.303 -1.353 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -4.355 -11.207 0.114 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.438 -11.334 -1.286 1.00 0.00 C ATOM 0 H ILE A 115 -2.036 -7.988 0.306 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.459 -8.572 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.589 -10.206 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.240 -10.587 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -2.104 -9.346 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.879 -12.187 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.868 -11.076 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.077 -11.134 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.944 -11.403 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.711 -11.043 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.864 -12.303 -1.027 1.00 0.00 H new ATOM 1063 N ASP A 116 -4.480 -8.664 2.338 1.00 0.00 N ATOM 1064 CA ASP A 116 -5.340 -8.805 3.503 1.00 0.00 C ATOM 1065 C ASP A 116 -6.343 -7.670 3.638 1.00 0.00 C ATOM 1066 O ASP A 116 -7.465 -7.900 4.077 1.00 0.00 O ATOM 1067 CB ASP A 116 -4.536 -8.957 4.786 1.00 0.00 C ATOM 1068 CG ASP A 116 -4.699 -10.343 5.374 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -5.825 -10.898 5.300 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -3.708 -10.895 5.901 1.00 0.00 O ATOM 0 H ASP A 116 -3.492 -8.535 2.554 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.907 -9.722 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.482 -8.767 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.860 -8.211 5.512 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.967 -6.446 3.264 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.919 -5.336 3.347 1.00 0.00 C ATOM 1077 C ASN A 117 -8.113 -5.577 2.422 1.00 0.00 C ATOM 1078 O ASN A 117 -9.179 -4.996 2.615 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.279 -3.962 3.062 1.00 0.00 C ATOM 1080 CG ASN A 117 -5.931 -3.711 1.611 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -4.797 -3.894 1.200 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -6.906 -3.268 0.830 1.00 0.00 N ATOM 0 H ASN A 117 -5.042 -6.201 2.912 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.266 -5.306 4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -6.963 -3.182 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.372 -3.869 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -6.721 -3.067 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.841 -3.128 1.212 1.00 0.00 H new ATOM 1089 N THR A 118 -7.937 -6.426 1.415 1.00 0.00 N ATOM 1090 CA THR A 118 -9.036 -6.812 0.548 1.00 0.00 C ATOM 1091 C THR A 118 -9.464 -8.265 0.806 1.00 0.00 C ATOM 1092 O THR A 118 -10.504 -8.716 0.319 1.00 0.00 O ATOM 1093 CB THR A 118 -8.665 -6.622 -0.937 1.00 0.00 C ATOM 1094 OG1 THR A 118 -7.341 -7.118 -1.185 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.754 -5.154 -1.343 1.00 0.00 C ATOM 0 H THR A 118 -7.043 -6.858 1.182 1.00 0.00 H new ATOM 0 HA THR A 118 -9.878 -6.160 0.780 1.00 0.00 H new ATOM 0 HB THR A 118 -9.379 -7.187 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 118 -7.099 -7.767 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.487 -5.051 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.772 -4.795 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.067 -4.566 -0.735 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.664 -8.981 1.597 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.940 -10.371 1.944 1.00 0.00 C ATOM 1105 C LYS A 119 -9.560 -10.455 3.341 1.00 0.00 C ATOM 1106 O LYS A 119 -10.783 -10.511 3.479 1.00 0.00 O ATOM 1107 CB LYS A 119 -7.654 -11.216 1.876 1.00 0.00 C ATOM 1108 CG LYS A 119 -7.849 -12.644 2.355 1.00 0.00 C ATOM 1109 CD LYS A 119 -6.670 -13.539 1.999 1.00 0.00 C ATOM 1110 CE LYS A 119 -5.406 -13.162 2.754 1.00 0.00 C ATOM 1111 NZ LYS A 119 -5.546 -13.352 4.219 1.00 0.00 N ATOM 0 H LYS A 119 -7.809 -8.612 2.013 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.650 -10.772 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.291 -11.231 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.882 -10.740 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.991 -12.646 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.758 -13.052 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.925 -14.576 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.481 -13.477 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.575 -13.765 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.159 -12.121 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.705 -13.840 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.640 -12.425 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.392 -13.924 4.416 1.00 0.00 H new ATOM 1125 N GLY A 120 -8.717 -10.466 4.369 1.00 0.00 N ATOM 1126 CA GLY A 120 -9.203 -10.425 5.736 1.00 0.00 C ATOM 1127 C GLY A 120 -9.323 -9.010 6.254 1.00 0.00 C ATOM 1128 O GLY A 120 -10.156 -8.228 5.793 1.00 0.00 O ATOM 0 H GLY A 120 -7.702 -10.503 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.176 -10.914 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.527 -10.990 6.378 1.00 0.00 H new ATOM 1132 N GLN A 121 -8.469 -8.689 7.204 1.00 0.00 N ATOM 1133 CA GLN A 121 -8.423 -7.372 7.815 1.00 0.00 C ATOM 1134 C GLN A 121 -6.967 -6.966 7.953 1.00 0.00 C ATOM 1135 O GLN A 121 -6.125 -7.452 7.201 1.00 0.00 O ATOM 1136 CB GLN A 121 -9.103 -7.402 9.188 1.00 0.00 C ATOM 1137 CG GLN A 121 -10.575 -7.779 9.134 1.00 0.00 C ATOM 1138 CD GLN A 121 -11.168 -8.006 10.505 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -11.156 -9.124 11.023 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -11.682 -6.951 11.109 1.00 0.00 N ATOM 0 H GLN A 121 -7.779 -9.340 7.579 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.953 -6.650 7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -8.579 -8.112 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.005 -6.421 9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -11.130 -6.989 8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -10.693 -8.683 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.672 -6.043 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.089 -7.044 12.040 1.00 0.00 H new ATOM 1149 N MET A 122 -6.650 -6.102 8.906 1.00 0.00 N ATOM 1150 CA MET A 122 -5.254 -5.762 9.153 1.00 0.00 C ATOM 1151 C MET A 122 -4.517 -6.972 9.727 1.00 0.00 C ATOM 1152 O MET A 122 -3.287 -7.027 9.720 1.00 0.00 O ATOM 1153 CB MET A 122 -5.118 -4.558 10.093 1.00 0.00 C ATOM 1154 CG MET A 122 -5.392 -4.874 11.554 1.00 0.00 C ATOM 1155 SD MET A 122 -5.096 -3.456 12.628 1.00 0.00 S ATOM 1156 CE MET A 122 -5.242 -4.217 14.245 1.00 0.00 C ATOM 0 H MET A 122 -7.323 -5.631 9.510 1.00 0.00 H new ATOM 0 HA MET A 122 -4.804 -5.483 8.200 1.00 0.00 H new ATOM 0 HB2 MET A 122 -4.110 -4.153 10.003 1.00 0.00 H new ATOM 0 HB3 MET A 122 -5.805 -3.777 9.767 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.426 -5.201 11.665 1.00 0.00 H new ATOM 0 HG3 MET A 122 -4.759 -5.704 11.869 1.00 0.00 H new ATOM 0 HE1 MET A 122 -5.084 -3.464 15.017 1.00 0.00 H new ATOM 0 HE2 MET A 122 -6.237 -4.647 14.356 1.00 0.00 H new ATOM 0 HE3 MET A 122 -4.494 -5.003 14.346 1.00 0.00 H new ATOM 1166 N LEU A 123 -5.283 -7.929 10.246 1.00 0.00 N ATOM 1167 CA LEU A 123 -4.714 -9.136 10.829 1.00 0.00 C ATOM 1168 C LEU A 123 -4.642 -10.276 9.810 1.00 0.00 C ATOM 1169 O LEU A 123 -3.573 -10.849 9.587 1.00 0.00 O ATOM 1170 CB LEU A 123 -5.522 -9.574 12.054 1.00 0.00 C ATOM 1171 CG LEU A 123 -4.988 -10.812 12.781 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -3.604 -10.547 13.350 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -5.948 -11.234 13.880 1.00 0.00 C ATOM 0 H LEU A 123 -6.302 -7.889 10.273 1.00 0.00 H new ATOM 0 HA LEU A 123 -3.696 -8.900 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -5.558 -8.745 12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -6.547 -9.771 11.741 1.00 0.00 H new ATOM 0 HG LEU A 123 -4.907 -11.626 12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -3.244 -11.439 13.862 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -2.920 -10.293 12.540 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -3.654 -9.719 14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.555 -12.115 14.388 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.060 -10.421 14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.919 -11.469 13.444 1.00 0.00 H new ATOM 1185 N GLY A 124 -5.777 -10.613 9.195 1.00 0.00 N ATOM 1186 CA GLY A 124 -5.791 -11.695 8.239 1.00 0.00 C ATOM 1187 C GLY A 124 -6.960 -12.638 8.439 1.00 0.00 C ATOM 1188 O GLY A 124 -7.205 -13.111 9.548 1.00 0.00 O ATOM 0 H GLY A 124 -6.677 -10.156 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.831 -11.283 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.860 -12.256 8.318 1.00 0.00 H new ATOM 1192 N LEU A 125 -7.690 -12.891 7.361 1.00 0.00 N ATOM 1193 CA LEU A 125 -8.780 -13.863 7.354 1.00 0.00 C ATOM 1194 C LEU A 125 -8.781 -14.594 6.025 1.00 0.00 C ATOM 1195 O LEU A 125 -8.093 -14.179 5.093 1.00 0.00 O ATOM 1196 CB LEU A 125 -10.143 -13.189 7.561 1.00 0.00 C ATOM 1197 CG LEU A 125 -10.414 -12.635 8.958 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -11.785 -11.987 8.998 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -10.321 -13.736 10.001 1.00 0.00 C ATOM 0 H LEU A 125 -7.544 -12.428 6.464 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.621 -14.559 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -10.234 -12.373 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -10.923 -13.912 7.321 1.00 0.00 H new ATOM 0 HG LEU A 125 -9.658 -11.884 9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -11.973 -11.594 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -11.824 -11.173 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -12.545 -12.728 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -10.518 -13.319 10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -11.057 -14.509 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -9.322 -14.171 9.983 1.00 0.00 H new ATOM 1211 N GLY A 126 -9.552 -15.666 5.936 1.00 0.00 N ATOM 1212 CA GLY A 126 -9.616 -16.426 4.705 1.00 0.00 C ATOM 1213 C GLY A 126 -10.735 -17.445 4.710 1.00 0.00 C ATOM 1214 O GLY A 126 -11.549 -17.486 3.787 1.00 0.00 O ATOM 0 H GLY A 126 -10.134 -16.024 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -9.755 -15.743 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.666 -16.936 4.547 1.00 0.00 H new ATOM 1218 N ASN A 127 -10.791 -18.257 5.755 1.00 0.00 N ATOM 1219 CA ASN A 127 -11.791 -19.314 5.841 1.00 0.00 C ATOM 1220 C ASN A 127 -12.995 -18.854 6.657 1.00 0.00 C ATOM 1221 O ASN A 127 -12.862 -18.457 7.811 1.00 0.00 O ATOM 1222 CB ASN A 127 -11.188 -20.604 6.433 1.00 0.00 C ATOM 1223 CG ASN A 127 -10.566 -20.412 7.808 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -9.389 -20.069 7.927 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -11.340 -20.661 8.855 1.00 0.00 N ATOM 0 H ASN A 127 -10.159 -18.206 6.554 1.00 0.00 H new ATOM 0 HA ASN A 127 -12.130 -19.538 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -11.968 -21.362 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -10.429 -20.986 5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.965 -20.571 9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -12.310 -20.943 8.716 1.00 0.00 H new ATOM 1232 N PRO A 128 -14.187 -18.860 6.039 1.00 0.00 N ATOM 1233 CA PRO A 128 -15.438 -18.508 6.717 1.00 0.00 C ATOM 1234 C PRO A 128 -15.800 -19.513 7.805 1.00 0.00 C ATOM 1235 O PRO A 128 -16.246 -20.632 7.464 1.00 0.00 O ATOM 1236 CB PRO A 128 -16.484 -18.528 5.592 1.00 0.00 C ATOM 1237 CG PRO A 128 -15.703 -18.502 4.321 1.00 0.00 C ATOM 1238 CD PRO A 128 -14.405 -19.188 4.625 1.00 0.00 C ATOM 1239 OXT PRO A 128 -15.619 -19.192 8.997 1.00 0.00 O ATOM 0 HA PRO A 128 -15.370 -17.546 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -17.107 -19.420 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -17.151 -17.668 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -16.239 -19.015 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -15.535 -17.478 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -14.469 -20.264 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -13.596 -18.820 3.995 1.00 0.00 H new TER 1247 PRO A 128