USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 817 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 33 TYR OH : rot 180:sc= 0.678 USER MOD Set 1.2: A 112 TYR OH : rot -177:sc= 0.734 USER MOD Set 2.1: A 72 SER OG : rot -140:sc=-0.00849 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.0735 K(o=0.065,f=-1.5!) USER MOD Set 3.1: A 77 LYS NZ :NH3+ -135:sc= 1.36 (180deg=0.0292) USER MOD Set 3.2: A 81 TYR OH : rot 30:sc= 0.985 USER MOD Set 4.1: A 23 CYS SG : rot -174:sc= -2.31! USER MOD Set 4.2: A 35 MET CE :methyl 173:sc= -3.84! (180deg=-2.09!) USER MOD Set 4.3: A 97 CYS SG : rot 10:sc= -0.401 USER MOD Single : A 4 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.21) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.17) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 109:sc= 0.333 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 32 SER OG : rot -39:sc= 0.124 USER MOD Single : A 40 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0.594 (180deg=0.59) USER MOD Single : A 53 ASN : amide:sc= 0.342 K(o=0.34,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 42:sc= 0.016 USER MOD Single : A 60 TYR OH : rot 150:sc=-0.00286 USER MOD Single : A 61 TYR OH : rot 70:sc= -1.11 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.986 K(o=-0.99,f=-0.069) USER MOD Single : A 78 ASN : amide:sc= -0.788 K(o=-0.79,f=-1.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -120:sc= -2.28! (180deg=-3.11!) USER MOD Single : A 85 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.0006) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= 0.922 (180deg=0.249) USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.45 USER MOD Single : A 95 TYR OH : rot -24:sc= 1.03 USER MOD Single : A 96 ASN : amide:sc= 0.401 X(o=0.4,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.595 K(o=-0.59,f=-1.3) USER MOD Single : A 117 THR OG1 : rot 140:sc= 0.249 USER MOD Single : A 118 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.2!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.782 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 3.396 -3.141 -6.781 1.00 0.00 N ATOM 38 CA LEU A 3 3.999 -3.637 -8.017 1.00 0.00 C ATOM 39 C LEU A 3 3.649 -2.687 -9.172 1.00 0.00 C ATOM 40 O LEU A 3 2.479 -2.569 -9.562 1.00 0.00 O ATOM 41 CB LEU A 3 3.515 -5.077 -8.295 1.00 0.00 C ATOM 42 CG LEU A 3 3.990 -5.746 -9.612 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.520 -5.755 -9.722 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.412 -7.170 -9.729 1.00 0.00 C ATOM 0 HA LEU A 3 5.084 -3.666 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.833 -5.706 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.425 -5.073 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 3 3.614 -5.153 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.815 -6.231 -10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.892 -4.731 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.942 -6.309 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.754 -7.626 -10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.749 -7.770 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.323 -7.122 -9.728 1.00 0.00 H new ATOM 56 N GLN A 4 4.678 -1.989 -9.673 1.00 0.00 N ATOM 57 CA GLN A 4 4.578 -1.125 -10.854 1.00 0.00 C ATOM 58 C GLN A 4 4.765 -1.985 -12.116 1.00 0.00 C ATOM 59 O GLN A 4 5.880 -2.427 -12.413 1.00 0.00 O ATOM 60 CB GLN A 4 5.643 0.018 -10.777 1.00 0.00 C ATOM 61 CG GLN A 4 5.752 0.919 -12.036 1.00 0.00 C ATOM 62 CD GLN A 4 4.460 1.665 -12.394 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.668 2.033 -11.521 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.243 1.891 -13.681 1.00 0.00 N ATOM 0 H GLN A 4 5.612 -2.010 -9.264 1.00 0.00 H new ATOM 0 HA GLN A 4 3.596 -0.654 -10.893 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.411 0.649 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.618 -0.431 -10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.547 1.648 -11.879 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.049 0.303 -12.885 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.919 1.573 -14.376 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.400 2.383 -13.977 1.00 0.00 H new ATOM 73 N LEU A 5 3.651 -2.256 -12.814 1.00 0.00 N ATOM 74 CA LEU A 5 3.647 -2.993 -14.084 1.00 0.00 C ATOM 75 C LEU A 5 3.666 -1.992 -15.248 1.00 0.00 C ATOM 76 O LEU A 5 2.675 -1.289 -15.490 1.00 0.00 O ATOM 77 CB LEU A 5 2.404 -3.928 -14.171 1.00 0.00 C ATOM 78 CG LEU A 5 2.361 -5.113 -13.155 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.028 -5.886 -13.247 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.574 -6.057 -13.348 1.00 0.00 C ATOM 0 H LEU A 5 2.722 -1.967 -12.509 1.00 0.00 H new ATOM 0 HA LEU A 5 4.536 -3.622 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.509 -3.322 -14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.354 -4.339 -15.179 1.00 0.00 H new ATOM 0 HG LEU A 5 2.425 -4.691 -12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.031 -6.704 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.200 -5.212 -13.027 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.910 -6.289 -14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.518 -6.873 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.561 -6.464 -14.359 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.498 -5.499 -13.194 1.00 0.00 H new ATOM 92 N VAL A 6 4.812 -1.919 -15.940 1.00 0.00 N ATOM 93 CA VAL A 6 5.006 -1.056 -17.109 1.00 0.00 C ATOM 94 C VAL A 6 4.788 -1.928 -18.347 1.00 0.00 C ATOM 95 O VAL A 6 5.673 -2.687 -18.750 1.00 0.00 O ATOM 96 CB VAL A 6 6.456 -0.428 -17.131 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.668 0.484 -18.369 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.752 0.330 -15.812 1.00 0.00 C ATOM 0 H VAL A 6 5.639 -2.465 -15.699 1.00 0.00 H new ATOM 0 HA VAL A 6 4.303 -0.223 -17.081 1.00 0.00 H new ATOM 0 HB VAL A 6 7.169 -1.249 -17.212 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.677 0.897 -18.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.534 -0.101 -19.279 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.943 1.297 -18.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.756 0.753 -15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.026 1.132 -15.682 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.683 -0.361 -14.972 1.00 0.00 H new ATOM 108 N GLU A 7 3.596 -1.815 -18.937 1.00 0.00 N ATOM 109 CA GLU A 7 3.141 -2.736 -19.987 1.00 0.00 C ATOM 110 C GLU A 7 3.040 -1.961 -21.313 1.00 0.00 C ATOM 111 O GLU A 7 2.177 -1.084 -21.471 1.00 0.00 O ATOM 112 CB GLU A 7 1.781 -3.379 -19.562 1.00 0.00 C ATOM 113 CG GLU A 7 1.447 -4.745 -20.207 1.00 0.00 C ATOM 114 CD GLU A 7 1.221 -4.703 -21.727 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.186 -4.946 -22.500 1.00 0.00 O ATOM 116 OE2 GLU A 7 0.076 -4.431 -22.144 1.00 0.00 O ATOM 0 H GLU A 7 2.920 -1.087 -18.704 1.00 0.00 H new ATOM 0 HA GLU A 7 3.850 -3.551 -20.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.782 -3.501 -18.479 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.980 -2.680 -19.803 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.259 -5.440 -19.994 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.552 -5.146 -19.732 1.00 0.00 H new ATOM 123 N SER A 8 3.934 -2.309 -22.250 1.00 0.00 N ATOM 124 CA SER A 8 4.054 -1.679 -23.569 1.00 0.00 C ATOM 125 C SER A 8 4.720 -2.669 -24.547 1.00 0.00 C ATOM 126 O SER A 8 5.468 -3.557 -24.128 1.00 0.00 O ATOM 127 CB SER A 8 4.881 -0.367 -23.479 1.00 0.00 C ATOM 128 OG SER A 8 4.245 0.609 -22.658 1.00 0.00 O ATOM 0 H SER A 8 4.612 -3.058 -22.105 1.00 0.00 H new ATOM 0 HA SER A 8 3.059 -1.423 -23.934 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.870 -0.589 -23.079 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.026 0.040 -24.480 1.00 0.00 H new ATOM 0 HG SER A 8 4.796 1.418 -22.625 1.00 0.00 H new ATOM 134 N GLY A 9 4.443 -2.502 -25.852 1.00 0.00 N ATOM 135 CA GLY A 9 5.021 -3.359 -26.899 1.00 0.00 C ATOM 136 C GLY A 9 4.083 -3.546 -28.082 1.00 0.00 C ATOM 137 O GLY A 9 4.478 -4.116 -29.107 1.00 0.00 O ATOM 0 H GLY A 9 3.819 -1.777 -26.207 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.957 -2.921 -27.247 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.263 -4.333 -26.474 1.00 0.00 H new ATOM 141 N GLY A 10 2.836 -3.065 -27.930 1.00 0.00 N ATOM 142 CA GLY A 10 1.809 -3.179 -28.963 1.00 0.00 C ATOM 143 C GLY A 10 1.968 -2.137 -30.064 1.00 0.00 C ATOM 144 O GLY A 10 2.371 -0.997 -29.796 1.00 0.00 O ATOM 0 H GLY A 10 2.519 -2.588 -27.086 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.850 -4.176 -29.402 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.825 -3.072 -28.506 1.00 0.00 H new ATOM 148 N GLY A 11 1.634 -2.538 -31.294 1.00 0.00 N ATOM 149 CA GLY A 11 1.754 -1.692 -32.479 1.00 0.00 C ATOM 150 C GLY A 11 1.185 -2.393 -33.701 1.00 0.00 C ATOM 151 O GLY A 11 0.462 -3.394 -33.560 1.00 0.00 O ATOM 0 H GLY A 11 1.269 -3.469 -31.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.227 -0.752 -32.315 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.802 -1.445 -32.651 1.00 0.00 H new ATOM 155 N LEU A 12 1.510 -1.885 -34.901 1.00 0.00 N ATOM 156 CA LEU A 12 1.026 -2.468 -36.167 1.00 0.00 C ATOM 157 C LEU A 12 1.850 -3.723 -36.550 1.00 0.00 C ATOM 158 O LEU A 12 3.079 -3.758 -36.393 1.00 0.00 O ATOM 159 CB LEU A 12 0.979 -1.382 -37.296 1.00 0.00 C ATOM 160 CG LEU A 12 2.277 -0.526 -37.559 1.00 0.00 C ATOM 161 CD1 LEU A 12 3.328 -1.260 -38.424 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.924 0.850 -38.171 1.00 0.00 C ATOM 0 H LEU A 12 2.109 -1.068 -35.023 1.00 0.00 H new ATOM 0 HA LEU A 12 0.000 -2.812 -36.032 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.715 -1.882 -38.228 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.167 -0.693 -37.062 1.00 0.00 H new ATOM 0 HG LEU A 12 2.737 -0.368 -36.584 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.196 -0.616 -38.567 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.636 -2.177 -37.922 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.894 -1.505 -39.394 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.839 1.418 -38.341 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.405 0.704 -39.119 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.279 1.399 -37.485 1.00 0.00 H new ATOM 174 N VAL A 13 1.128 -4.757 -36.997 1.00 0.00 N ATOM 175 CA VAL A 13 1.678 -6.053 -37.431 1.00 0.00 C ATOM 176 C VAL A 13 0.719 -6.649 -38.476 1.00 0.00 C ATOM 177 O VAL A 13 -0.477 -6.422 -38.397 1.00 0.00 O ATOM 178 CB VAL A 13 1.884 -7.036 -36.201 1.00 0.00 C ATOM 179 CG1 VAL A 13 0.583 -7.218 -35.380 1.00 0.00 C ATOM 180 CG2 VAL A 13 2.470 -8.403 -36.644 1.00 0.00 C ATOM 0 H VAL A 13 0.111 -4.717 -37.070 1.00 0.00 H new ATOM 0 HA VAL A 13 2.663 -5.909 -37.874 1.00 0.00 H new ATOM 0 HB VAL A 13 2.617 -6.566 -35.545 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.769 -7.898 -34.549 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.259 -6.252 -34.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.196 -7.632 -36.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.595 -9.045 -35.772 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.790 -8.879 -37.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.437 -8.247 -37.121 1.00 0.00 H new ATOM 190 N GLN A 14 1.246 -7.367 -39.481 1.00 0.00 N ATOM 191 CA GLN A 14 0.414 -7.977 -40.546 1.00 0.00 C ATOM 192 C GLN A 14 -0.210 -9.301 -40.056 1.00 0.00 C ATOM 193 O GLN A 14 0.276 -9.910 -39.089 1.00 0.00 O ATOM 194 CB GLN A 14 1.240 -8.206 -41.851 1.00 0.00 C ATOM 195 CG GLN A 14 1.652 -6.921 -42.616 1.00 0.00 C ATOM 196 CD GLN A 14 2.719 -6.066 -41.917 1.00 0.00 C ATOM 197 OE1 GLN A 14 3.917 -6.275 -42.105 1.00 0.00 O ATOM 198 NE2 GLN A 14 2.298 -5.124 -41.082 1.00 0.00 N ATOM 0 H GLN A 14 2.245 -7.543 -39.584 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.391 -7.281 -40.781 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.143 -8.761 -41.596 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.657 -8.837 -42.523 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.023 -7.205 -43.601 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.764 -6.309 -42.774 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.299 -4.973 -40.946 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.974 -4.551 -40.577 1.00 0.00 H new ATOM 207 N ALA A 15 -1.305 -9.726 -40.724 1.00 0.00 N ATOM 208 CA ALA A 15 -1.973 -11.014 -40.447 1.00 0.00 C ATOM 209 C ALA A 15 -1.047 -12.188 -40.832 1.00 0.00 C ATOM 210 O ALA A 15 -0.549 -12.245 -41.964 1.00 0.00 O ATOM 211 CB ALA A 15 -3.311 -11.100 -41.202 1.00 0.00 C ATOM 0 H ALA A 15 -1.748 -9.187 -41.468 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.183 -11.078 -39.379 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.790 -12.055 -40.987 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.963 -10.287 -40.881 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.130 -11.019 -42.274 1.00 0.00 H new ATOM 217 N GLY A 16 -0.817 -13.095 -39.869 1.00 0.00 N ATOM 218 CA GLY A 16 0.147 -14.189 -40.016 1.00 0.00 C ATOM 219 C GLY A 16 1.521 -13.826 -39.453 1.00 0.00 C ATOM 220 O GLY A 16 2.456 -14.631 -39.528 1.00 0.00 O ATOM 0 H GLY A 16 -1.296 -13.088 -38.968 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.231 -15.075 -39.506 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.245 -14.446 -41.071 1.00 0.00 H new ATOM 224 N GLY A 17 1.631 -12.608 -38.880 1.00 0.00 N ATOM 225 CA GLY A 17 2.888 -12.112 -38.314 1.00 0.00 C ATOM 226 C GLY A 17 2.998 -12.326 -36.807 1.00 0.00 C ATOM 227 O GLY A 17 2.122 -12.949 -36.185 1.00 0.00 O ATOM 0 H GLY A 17 0.854 -11.952 -38.801 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.722 -12.611 -38.807 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.981 -11.048 -38.531 1.00 0.00 H new ATOM 231 N SER A 18 4.083 -11.795 -36.223 1.00 0.00 N ATOM 232 CA SER A 18 4.392 -11.904 -34.787 1.00 0.00 C ATOM 233 C SER A 18 4.569 -10.507 -34.160 1.00 0.00 C ATOM 234 O SER A 18 5.057 -9.581 -34.819 1.00 0.00 O ATOM 235 CB SER A 18 5.679 -12.743 -34.596 1.00 0.00 C ATOM 236 OG SER A 18 6.760 -12.224 -35.358 1.00 0.00 O ATOM 0 H SER A 18 4.784 -11.268 -36.744 1.00 0.00 H new ATOM 0 HA SER A 18 3.561 -12.399 -34.285 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.951 -12.758 -33.541 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.488 -13.775 -34.890 1.00 0.00 H new ATOM 0 HG SER A 18 7.557 -12.776 -35.213 1.00 0.00 H new ATOM 242 N LEU A 19 4.186 -10.386 -32.882 1.00 0.00 N ATOM 243 CA LEU A 19 4.322 -9.146 -32.099 1.00 0.00 C ATOM 244 C LEU A 19 4.454 -9.512 -30.613 1.00 0.00 C ATOM 245 O LEU A 19 3.686 -10.319 -30.102 1.00 0.00 O ATOM 246 CB LEU A 19 3.105 -8.207 -32.340 1.00 0.00 C ATOM 247 CG LEU A 19 3.106 -6.849 -31.564 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.337 -5.989 -31.923 1.00 0.00 C ATOM 249 CD2 LEU A 19 1.790 -6.073 -31.799 1.00 0.00 C ATOM 0 H LEU A 19 3.768 -11.153 -32.355 1.00 0.00 H new ATOM 0 HA LEU A 19 5.214 -8.607 -32.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.048 -7.990 -33.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.198 -8.750 -32.076 1.00 0.00 H new ATOM 0 HG LEU A 19 3.172 -7.079 -30.501 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.303 -5.054 -31.364 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.247 -6.532 -31.667 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.331 -5.774 -32.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.818 -5.133 -31.248 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.675 -5.866 -32.863 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.948 -6.672 -31.452 1.00 0.00 H new ATOM 261 N ARG A 20 5.439 -8.922 -29.932 1.00 0.00 N ATOM 262 CA ARG A 20 5.744 -9.225 -28.525 1.00 0.00 C ATOM 263 C ARG A 20 5.412 -8.022 -27.632 1.00 0.00 C ATOM 264 O ARG A 20 5.845 -6.898 -27.905 1.00 0.00 O ATOM 265 CB ARG A 20 7.238 -9.619 -28.372 1.00 0.00 C ATOM 266 CG ARG A 20 7.687 -9.933 -26.924 1.00 0.00 C ATOM 267 CD ARG A 20 9.191 -10.232 -26.821 1.00 0.00 C ATOM 268 NE ARG A 20 9.582 -11.449 -27.558 1.00 0.00 N ATOM 269 CZ ARG A 20 10.844 -11.890 -27.699 1.00 0.00 C ATOM 270 NH1 ARG A 20 11.873 -11.181 -27.237 1.00 0.00 N ATOM 271 NH2 ARG A 20 11.071 -13.037 -28.319 1.00 0.00 N ATOM 0 H ARG A 20 6.053 -8.217 -30.340 1.00 0.00 H new ATOM 0 HA ARG A 20 5.128 -10.067 -28.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.433 -10.492 -28.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.854 -8.807 -28.759 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.444 -9.087 -26.281 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.124 -10.789 -26.551 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.753 -9.382 -27.207 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.464 -10.344 -25.772 1.00 0.00 H new ATOM 0 HE ARG A 20 8.839 -11.996 -27.993 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.709 -10.290 -26.768 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.825 -11.529 -27.352 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.291 -13.581 -28.687 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.026 -13.377 -28.429 1.00 0.00 H new ATOM 285 N LEU A 21 4.619 -8.269 -26.581 1.00 0.00 N ATOM 286 CA LEU A 21 4.343 -7.291 -25.516 1.00 0.00 C ATOM 287 C LEU A 21 5.350 -7.505 -24.374 1.00 0.00 C ATOM 288 O LEU A 21 5.907 -8.604 -24.240 1.00 0.00 O ATOM 289 CB LEU A 21 2.880 -7.428 -24.994 1.00 0.00 C ATOM 290 CG LEU A 21 1.730 -7.386 -26.062 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.001 -6.348 -27.158 1.00 0.00 C ATOM 292 CD2 LEU A 21 1.453 -8.774 -26.667 1.00 0.00 C ATOM 0 H LEU A 21 4.145 -9.162 -26.443 1.00 0.00 H new ATOM 0 HA LEU A 21 4.451 -6.283 -25.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.802 -8.370 -24.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.702 -6.629 -24.274 1.00 0.00 H new ATOM 0 HG LEU A 21 0.829 -7.075 -25.534 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.180 -6.353 -27.875 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.084 -5.358 -26.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.931 -6.594 -27.670 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.650 -8.698 -27.401 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.355 -9.146 -27.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.157 -9.463 -25.876 1.00 0.00 H new ATOM 304 N SER A 22 5.595 -6.472 -23.562 1.00 0.00 N ATOM 305 CA SER A 22 6.572 -6.548 -22.469 1.00 0.00 C ATOM 306 C SER A 22 6.056 -5.790 -21.241 1.00 0.00 C ATOM 307 O SER A 22 5.710 -4.609 -21.332 1.00 0.00 O ATOM 308 CB SER A 22 7.939 -5.983 -22.928 1.00 0.00 C ATOM 309 OG SER A 22 8.928 -6.130 -21.913 1.00 0.00 O ATOM 0 H SER A 22 5.128 -5.569 -23.641 1.00 0.00 H new ATOM 0 HA SER A 22 6.709 -7.594 -22.194 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.263 -6.499 -23.832 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.832 -4.929 -23.184 1.00 0.00 H new ATOM 0 HG SER A 22 9.569 -6.823 -22.178 1.00 0.00 H new ATOM 315 N CYS A 23 6.015 -6.483 -20.089 1.00 0.00 N ATOM 316 CA CYS A 23 5.572 -5.905 -18.817 1.00 0.00 C ATOM 317 C CYS A 23 6.733 -5.920 -17.804 1.00 0.00 C ATOM 318 O CYS A 23 7.080 -6.972 -17.262 1.00 0.00 O ATOM 319 CB CYS A 23 4.358 -6.682 -18.268 1.00 0.00 C ATOM 320 SG CYS A 23 3.635 -5.959 -16.781 1.00 0.00 S ATOM 0 H CYS A 23 6.290 -7.463 -20.019 1.00 0.00 H new ATOM 0 HA CYS A 23 5.266 -4.872 -18.983 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.593 -6.735 -19.043 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.663 -7.706 -18.051 1.00 0.00 H new ATOM 0 HG CYS A 23 2.700 -6.741 -16.329 1.00 0.00 H new ATOM 326 N ALA A 24 7.339 -4.743 -17.569 1.00 0.00 N ATOM 327 CA ALA A 24 8.436 -4.576 -16.603 1.00 0.00 C ATOM 328 C ALA A 24 7.845 -4.380 -15.196 1.00 0.00 C ATOM 329 O ALA A 24 7.095 -3.439 -14.962 1.00 0.00 O ATOM 330 CB ALA A 24 9.321 -3.378 -17.003 1.00 0.00 C ATOM 0 H ALA A 24 7.080 -3.879 -18.046 1.00 0.00 H new ATOM 0 HA ALA A 24 9.063 -5.468 -16.601 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.129 -3.265 -16.280 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.742 -3.551 -17.993 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.719 -2.470 -17.018 1.00 0.00 H new ATOM 336 N ALA A 25 8.214 -5.265 -14.267 1.00 0.00 N ATOM 337 CA ALA A 25 7.621 -5.339 -12.925 1.00 0.00 C ATOM 338 C ALA A 25 8.607 -4.764 -11.896 1.00 0.00 C ATOM 339 O ALA A 25 9.744 -5.226 -11.794 1.00 0.00 O ATOM 340 CB ALA A 25 7.286 -6.808 -12.620 1.00 0.00 C ATOM 0 H ALA A 25 8.943 -5.961 -14.426 1.00 0.00 H new ATOM 0 HA ALA A 25 6.705 -4.751 -12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.844 -6.882 -11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.578 -7.181 -13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.198 -7.404 -12.657 1.00 0.00 H new ATOM 346 N SER A 26 8.153 -3.760 -11.128 1.00 0.00 N ATOM 347 CA SER A 26 9.011 -2.969 -10.219 1.00 0.00 C ATOM 348 C SER A 26 8.379 -2.862 -8.815 1.00 0.00 C ATOM 349 O SER A 26 7.183 -3.117 -8.636 1.00 0.00 O ATOM 350 CB SER A 26 9.228 -1.559 -10.832 1.00 0.00 C ATOM 351 OG SER A 26 10.151 -0.787 -10.080 1.00 0.00 O ATOM 0 H SER A 26 7.175 -3.470 -11.117 1.00 0.00 H new ATOM 0 HA SER A 26 9.973 -3.470 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.590 -1.661 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.274 -1.035 -10.882 1.00 0.00 H new ATOM 0 HG SER A 26 10.261 0.092 -10.500 1.00 0.00 H new ATOM 357 N GLY A 27 9.206 -2.468 -7.828 1.00 0.00 N ATOM 358 CA GLY A 27 8.767 -2.288 -6.442 1.00 0.00 C ATOM 359 C GLY A 27 8.583 -3.614 -5.703 1.00 0.00 C ATOM 360 O GLY A 27 9.566 -4.251 -5.305 1.00 0.00 O ATOM 0 H GLY A 27 10.195 -2.267 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.498 -1.679 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.826 -1.738 -6.432 1.00 0.00 H new ATOM 364 N ARG A 28 7.315 -4.032 -5.544 1.00 0.00 N ATOM 365 CA ARG A 28 6.943 -5.279 -4.841 1.00 0.00 C ATOM 366 C ARG A 28 6.999 -6.425 -5.865 1.00 0.00 C ATOM 367 O ARG A 28 6.141 -6.504 -6.742 1.00 0.00 O ATOM 368 CB ARG A 28 5.519 -5.122 -4.216 1.00 0.00 C ATOM 369 CG ARG A 28 5.174 -6.009 -2.982 1.00 0.00 C ATOM 370 CD ARG A 28 5.041 -7.521 -3.276 1.00 0.00 C ATOM 371 NE ARG A 28 6.235 -8.292 -2.868 1.00 0.00 N ATOM 372 CZ ARG A 28 6.217 -9.475 -2.228 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.066 -10.085 -1.946 1.00 0.00 N ATOM 374 NH2 ARG A 28 7.354 -10.043 -1.861 1.00 0.00 N ATOM 0 H ARG A 28 6.512 -3.513 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 28 7.630 -5.498 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.392 -4.079 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.785 -5.329 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.947 -5.869 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.238 -5.655 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.167 -7.912 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.868 -7.665 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 28 7.147 -7.894 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.181 -9.655 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.070 -10.982 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.242 -9.584 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.343 -10.940 -1.376 1.00 0.00 H new ATOM 388 N THR A 29 8.007 -7.296 -5.729 1.00 0.00 N ATOM 389 CA THR A 29 8.381 -8.290 -6.754 1.00 0.00 C ATOM 390 C THR A 29 7.207 -9.232 -7.162 1.00 0.00 C ATOM 391 O THR A 29 6.509 -9.777 -6.301 1.00 0.00 O ATOM 392 CB THR A 29 9.593 -9.135 -6.247 1.00 0.00 C ATOM 393 OG1 THR A 29 10.603 -8.261 -5.702 1.00 0.00 O ATOM 394 CG2 THR A 29 10.220 -9.979 -7.369 1.00 0.00 C ATOM 0 H THR A 29 8.595 -7.334 -4.896 1.00 0.00 H new ATOM 0 HA THR A 29 8.653 -7.732 -7.650 1.00 0.00 H new ATOM 0 HB THR A 29 9.217 -9.813 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.361 -8.795 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.059 -10.549 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.473 -10.664 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.573 -9.322 -8.164 1.00 0.00 H new ATOM 402 N PHE A 30 7.029 -9.412 -8.495 1.00 0.00 N ATOM 403 CA PHE A 30 5.924 -10.206 -9.086 1.00 0.00 C ATOM 404 C PHE A 30 6.085 -11.721 -8.814 1.00 0.00 C ATOM 405 O PHE A 30 5.121 -12.478 -8.920 1.00 0.00 O ATOM 406 CB PHE A 30 5.838 -9.941 -10.626 1.00 0.00 C ATOM 407 CG PHE A 30 6.860 -10.714 -11.479 1.00 0.00 C ATOM 408 CD1 PHE A 30 8.227 -10.422 -11.420 1.00 0.00 C ATOM 409 CD2 PHE A 30 6.449 -11.744 -12.335 1.00 0.00 C ATOM 410 CE1 PHE A 30 9.139 -11.143 -12.171 1.00 0.00 C ATOM 411 CE2 PHE A 30 7.365 -12.457 -13.088 1.00 0.00 C ATOM 412 CZ PHE A 30 8.707 -12.154 -13.009 1.00 0.00 C ATOM 0 H PHE A 30 7.652 -9.007 -9.194 1.00 0.00 H new ATOM 0 HA PHE A 30 4.998 -9.886 -8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.835 -10.197 -10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.973 -8.874 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.575 -9.624 -10.781 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.399 -11.986 -12.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.192 -10.915 -12.102 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.028 -13.251 -13.738 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.421 -12.706 -13.602 1.00 0.00 H new ATOM 422 N SER A 31 7.323 -12.145 -8.479 1.00 0.00 N ATOM 423 CA SER A 31 7.677 -13.569 -8.320 1.00 0.00 C ATOM 424 C SER A 31 7.081 -14.194 -7.039 1.00 0.00 C ATOM 425 O SER A 31 7.204 -15.397 -6.814 1.00 0.00 O ATOM 426 CB SER A 31 9.209 -13.744 -8.354 1.00 0.00 C ATOM 427 OG SER A 31 9.844 -13.072 -7.283 1.00 0.00 O ATOM 0 H SER A 31 8.103 -11.509 -8.312 1.00 0.00 H new ATOM 0 HA SER A 31 7.235 -14.106 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.453 -14.805 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.596 -13.365 -9.300 1.00 0.00 H new ATOM 0 HG SER A 31 10.813 -13.209 -7.339 1.00 0.00 H new ATOM 433 N SER A 32 6.441 -13.372 -6.203 1.00 0.00 N ATOM 434 CA SER A 32 5.696 -13.842 -5.023 1.00 0.00 C ATOM 435 C SER A 32 4.233 -14.176 -5.405 1.00 0.00 C ATOM 436 O SER A 32 3.450 -14.636 -4.566 1.00 0.00 O ATOM 437 CB SER A 32 5.761 -12.749 -3.926 1.00 0.00 C ATOM 438 OG SER A 32 5.232 -13.196 -2.686 1.00 0.00 O ATOM 0 H SER A 32 6.422 -12.359 -6.322 1.00 0.00 H new ATOM 0 HA SER A 32 6.145 -14.757 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.797 -12.439 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.208 -11.871 -4.259 1.00 0.00 H new ATOM 0 HG SER A 32 4.444 -13.755 -2.849 1.00 0.00 H new ATOM 444 N TYR A 33 3.881 -13.954 -6.690 1.00 0.00 N ATOM 445 CA TYR A 33 2.494 -14.039 -7.189 1.00 0.00 C ATOM 446 C TYR A 33 2.441 -14.777 -8.537 1.00 0.00 C ATOM 447 O TYR A 33 3.475 -15.120 -9.116 1.00 0.00 O ATOM 448 CB TYR A 33 1.917 -12.605 -7.374 1.00 0.00 C ATOM 449 CG TYR A 33 1.985 -11.736 -6.116 1.00 0.00 C ATOM 450 CD1 TYR A 33 3.020 -10.815 -5.937 1.00 0.00 C ATOM 451 CD2 TYR A 33 1.042 -11.863 -5.090 1.00 0.00 C ATOM 452 CE1 TYR A 33 3.110 -10.061 -4.790 1.00 0.00 C ATOM 453 CE2 TYR A 33 1.128 -11.099 -3.942 1.00 0.00 C ATOM 454 CZ TYR A 33 2.163 -10.203 -3.795 1.00 0.00 C ATOM 455 OH TYR A 33 2.258 -9.437 -2.648 1.00 0.00 O ATOM 0 H TYR A 33 4.557 -13.709 -7.414 1.00 0.00 H new ATOM 0 HA TYR A 33 1.902 -14.592 -6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.461 -12.107 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.878 -12.682 -7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.762 -10.693 -6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.233 -12.570 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.921 -9.358 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.387 -11.204 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 33 1.515 -9.655 -2.047 1.00 0.00 H new ATOM 465 N ALA A 34 1.214 -15.019 -9.011 1.00 0.00 N ATOM 466 CA ALA A 34 0.937 -15.419 -10.399 1.00 0.00 C ATOM 467 C ALA A 34 0.527 -14.164 -11.190 1.00 0.00 C ATOM 468 O ALA A 34 0.199 -13.130 -10.597 1.00 0.00 O ATOM 469 CB ALA A 34 -0.163 -16.495 -10.444 1.00 0.00 C ATOM 0 H ALA A 34 0.374 -14.942 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 34 1.828 -15.856 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.353 -16.778 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.162 -17.371 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.077 -16.099 -10.002 1.00 0.00 H new ATOM 475 N MET A 35 0.575 -14.234 -12.521 1.00 0.00 N ATOM 476 CA MET A 35 0.181 -13.103 -13.383 1.00 0.00 C ATOM 477 C MET A 35 -0.549 -13.610 -14.630 1.00 0.00 C ATOM 478 O MET A 35 -0.363 -14.755 -15.034 1.00 0.00 O ATOM 479 CB MET A 35 1.416 -12.260 -13.785 1.00 0.00 C ATOM 480 CG MET A 35 2.485 -13.016 -14.591 1.00 0.00 C ATOM 481 SD MET A 35 3.519 -11.913 -15.561 1.00 0.00 S ATOM 482 CE MET A 35 2.294 -11.151 -16.634 1.00 0.00 C ATOM 0 H MET A 35 0.883 -15.061 -13.033 1.00 0.00 H new ATOM 0 HA MET A 35 -0.498 -12.464 -12.818 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.078 -11.405 -14.371 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.877 -11.864 -12.880 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.112 -13.591 -13.909 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.998 -13.730 -15.255 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.761 -10.352 -17.210 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.890 -11.900 -17.315 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.487 -10.738 -16.029 1.00 0.00 H new ATOM 492 N GLY A 36 -1.352 -12.734 -15.257 1.00 0.00 N ATOM 493 CA GLY A 36 -2.131 -13.099 -16.436 1.00 0.00 C ATOM 494 C GLY A 36 -2.456 -11.915 -17.329 1.00 0.00 C ATOM 495 O GLY A 36 -2.647 -10.793 -16.850 1.00 0.00 O ATOM 0 H GLY A 36 -1.474 -11.766 -14.960 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.578 -13.840 -17.013 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.060 -13.571 -16.117 1.00 0.00 H new ATOM 499 N TRP A 37 -2.509 -12.190 -18.635 1.00 0.00 N ATOM 500 CA TRP A 37 -2.810 -11.218 -19.688 1.00 0.00 C ATOM 501 C TRP A 37 -4.293 -11.333 -20.103 1.00 0.00 C ATOM 502 O TRP A 37 -4.846 -12.444 -20.193 1.00 0.00 O ATOM 503 CB TRP A 37 -1.877 -11.469 -20.907 1.00 0.00 C ATOM 504 CG TRP A 37 -0.396 -11.359 -20.586 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.398 -12.297 -19.975 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.462 -10.246 -20.869 1.00 0.00 C ATOM 507 NE1 TRP A 37 1.686 -11.834 -19.873 1.00 0.00 N ATOM 508 CE2 TRP A 37 1.750 -10.577 -20.409 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.264 -9.004 -21.480 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.833 -9.705 -20.529 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.336 -8.146 -21.596 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.609 -8.498 -21.129 1.00 0.00 C ATOM 0 H TRP A 37 -2.338 -13.127 -19.000 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.636 -10.209 -19.314 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.079 -12.463 -21.307 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.122 -10.754 -21.692 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.058 -13.261 -19.625 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.469 -12.344 -19.464 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.710 -8.723 -21.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.812 -9.974 -20.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.192 -7.180 -22.057 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.428 -7.803 -21.245 1.00 0.00 H new ATOM 523 N PHE A 38 -4.918 -10.165 -20.319 1.00 0.00 N ATOM 524 CA PHE A 38 -6.322 -10.020 -20.761 1.00 0.00 C ATOM 525 C PHE A 38 -6.361 -9.075 -21.974 1.00 0.00 C ATOM 526 O PHE A 38 -5.338 -8.471 -22.306 1.00 0.00 O ATOM 527 CB PHE A 38 -7.203 -9.476 -19.597 1.00 0.00 C ATOM 528 CG PHE A 38 -7.246 -10.394 -18.374 1.00 0.00 C ATOM 529 CD1 PHE A 38 -6.317 -10.259 -17.339 1.00 0.00 C ATOM 530 CD2 PHE A 38 -8.203 -11.402 -18.267 1.00 0.00 C ATOM 531 CE1 PHE A 38 -6.346 -11.100 -16.242 1.00 0.00 C ATOM 532 CE2 PHE A 38 -8.234 -12.240 -17.170 1.00 0.00 C ATOM 533 CZ PHE A 38 -7.303 -12.090 -16.158 1.00 0.00 C ATOM 0 H PHE A 38 -4.451 -9.268 -20.189 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.724 -10.991 -21.050 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.825 -8.500 -19.294 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.219 -9.325 -19.962 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.565 -9.486 -17.397 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.931 -11.529 -19.054 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.620 -10.982 -15.451 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.985 -13.013 -17.102 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.325 -12.748 -15.302 1.00 0.00 H new ATOM 543 N ARG A 39 -7.519 -8.965 -22.656 1.00 0.00 N ATOM 544 CA ARG A 39 -7.662 -8.061 -23.833 1.00 0.00 C ATOM 545 C ARG A 39 -9.120 -7.637 -24.053 1.00 0.00 C ATOM 546 O ARG A 39 -10.043 -8.332 -23.632 1.00 0.00 O ATOM 547 CB ARG A 39 -7.140 -8.737 -25.130 1.00 0.00 C ATOM 548 CG ARG A 39 -8.004 -9.927 -25.608 1.00 0.00 C ATOM 549 CD ARG A 39 -7.488 -10.590 -26.886 1.00 0.00 C ATOM 550 NE ARG A 39 -8.291 -11.768 -27.247 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.000 -12.630 -28.228 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.878 -12.514 -28.927 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.829 -13.635 -28.470 1.00 0.00 N ATOM 0 H ARG A 39 -8.366 -9.483 -22.421 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.063 -7.177 -23.614 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.095 -7.991 -25.924 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.121 -9.085 -24.962 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.048 -10.673 -24.815 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.023 -9.580 -25.776 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.509 -9.870 -27.704 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.448 -10.886 -26.749 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.138 -11.942 -26.706 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.223 -11.760 -28.719 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.670 -13.179 -29.672 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.676 -13.743 -27.912 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.620 -14.300 -29.215 1.00 0.00 H new ATOM 567 N GLN A 40 -9.294 -6.511 -24.764 1.00 0.00 N ATOM 568 CA GLN A 40 -10.610 -6.002 -25.194 1.00 0.00 C ATOM 569 C GLN A 40 -10.429 -4.926 -26.281 1.00 0.00 C ATOM 570 O GLN A 40 -9.384 -4.290 -26.335 1.00 0.00 O ATOM 571 CB GLN A 40 -11.394 -5.412 -23.990 1.00 0.00 C ATOM 572 CG GLN A 40 -10.719 -4.220 -23.272 1.00 0.00 C ATOM 573 CD GLN A 40 -11.517 -3.642 -22.085 1.00 0.00 C ATOM 574 OE1 GLN A 40 -10.932 -3.121 -21.136 1.00 0.00 O ATOM 575 NE2 GLN A 40 -12.846 -3.716 -22.122 1.00 0.00 N ATOM 0 H GLN A 40 -8.517 -5.921 -25.061 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.183 -6.834 -25.603 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.376 -5.093 -24.340 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.558 -6.206 -23.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.740 -4.538 -22.913 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.549 -3.425 -23.999 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.311 -4.152 -22.918 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.399 -3.336 -21.354 1.00 0.00 H new ATOM 584 N ALA A 41 -11.454 -4.753 -27.143 1.00 0.00 N ATOM 585 CA ALA A 41 -11.534 -3.653 -28.144 1.00 0.00 C ATOM 586 C ALA A 41 -12.822 -3.766 -29.004 1.00 0.00 C ATOM 587 O ALA A 41 -13.593 -2.803 -29.039 1.00 0.00 O ATOM 588 CB ALA A 41 -10.298 -3.521 -29.070 1.00 0.00 C ATOM 0 H ALA A 41 -12.261 -5.377 -27.168 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.561 -2.744 -27.544 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.450 -2.694 -29.764 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.410 -3.331 -28.467 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.164 -4.445 -29.632 1.00 0.00 H new ATOM 594 N PRO A 42 -13.099 -4.935 -29.718 1.00 0.00 N ATOM 595 CA PRO A 42 -14.244 -5.031 -30.656 1.00 0.00 C ATOM 596 C PRO A 42 -15.585 -5.317 -29.929 1.00 0.00 C ATOM 597 O PRO A 42 -16.185 -6.388 -30.085 1.00 0.00 O ATOM 598 CB PRO A 42 -13.800 -6.167 -31.620 1.00 0.00 C ATOM 599 CG PRO A 42 -12.954 -7.087 -30.785 1.00 0.00 C ATOM 600 CD PRO A 42 -12.346 -6.236 -29.674 1.00 0.00 C ATOM 0 HA PRO A 42 -14.456 -4.100 -31.182 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.662 -6.692 -32.033 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.235 -5.769 -32.463 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.556 -7.895 -30.368 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.174 -7.550 -31.389 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.453 -6.720 -28.703 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.280 -6.080 -29.836 1.00 0.00 H new ATOM 608 N GLY A 43 -16.035 -4.316 -29.141 1.00 0.00 N ATOM 609 CA GLY A 43 -17.267 -4.414 -28.354 1.00 0.00 C ATOM 610 C GLY A 43 -17.208 -5.461 -27.240 1.00 0.00 C ATOM 611 O GLY A 43 -18.251 -5.965 -26.802 1.00 0.00 O ATOM 0 H GLY A 43 -15.551 -3.424 -29.038 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.484 -3.441 -27.914 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -18.095 -4.654 -29.021 1.00 0.00 H new ATOM 615 N LYS A 44 -15.990 -5.777 -26.770 1.00 0.00 N ATOM 616 CA LYS A 44 -15.756 -6.853 -25.782 1.00 0.00 C ATOM 617 C LYS A 44 -15.217 -6.308 -24.449 1.00 0.00 C ATOM 618 O LYS A 44 -14.702 -5.183 -24.376 1.00 0.00 O ATOM 619 CB LYS A 44 -14.769 -7.914 -26.351 1.00 0.00 C ATOM 620 CG LYS A 44 -15.267 -8.636 -27.637 1.00 0.00 C ATOM 621 CD LYS A 44 -14.821 -10.115 -27.716 1.00 0.00 C ATOM 622 CE LYS A 44 -15.408 -10.961 -26.568 1.00 0.00 C ATOM 623 NZ LYS A 44 -14.973 -12.379 -26.624 1.00 0.00 N ATOM 0 H LYS A 44 -15.138 -5.297 -27.061 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.721 -7.321 -25.588 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.818 -7.427 -26.568 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.576 -8.662 -25.582 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.355 -8.589 -27.674 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.895 -8.104 -28.512 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.132 -10.536 -28.672 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.733 -10.167 -27.684 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.107 -10.530 -25.613 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.496 -10.917 -26.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.435 -12.914 -25.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.238 -12.787 -27.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.941 -12.430 -26.507 1.00 0.00 H new ATOM 637 N GLU A 45 -15.357 -7.142 -23.401 1.00 0.00 N ATOM 638 CA GLU A 45 -14.738 -6.923 -22.079 1.00 0.00 C ATOM 639 C GLU A 45 -13.353 -7.587 -22.041 1.00 0.00 C ATOM 640 O GLU A 45 -12.952 -8.258 -23.009 1.00 0.00 O ATOM 641 CB GLU A 45 -15.646 -7.514 -20.964 1.00 0.00 C ATOM 642 CG GLU A 45 -15.828 -9.047 -21.027 1.00 0.00 C ATOM 643 CD GLU A 45 -16.788 -9.594 -19.954 1.00 0.00 C ATOM 644 OE1 GLU A 45 -16.321 -10.057 -18.889 1.00 0.00 O ATOM 645 OE2 GLU A 45 -18.021 -9.562 -20.173 1.00 0.00 O ATOM 0 H GLU A 45 -15.910 -7.998 -23.449 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.624 -5.853 -21.908 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.225 -7.251 -19.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.627 -7.042 -21.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.203 -9.321 -22.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.856 -9.526 -20.912 1.00 0.00 H new ATOM 652 N ARG A 46 -12.619 -7.390 -20.925 1.00 0.00 N ATOM 653 CA ARG A 46 -11.323 -8.052 -20.701 1.00 0.00 C ATOM 654 C ARG A 46 -11.537 -9.570 -20.555 1.00 0.00 C ATOM 655 O ARG A 46 -12.015 -10.052 -19.520 1.00 0.00 O ATOM 656 CB ARG A 46 -10.626 -7.471 -19.443 1.00 0.00 C ATOM 657 CG ARG A 46 -10.199 -5.993 -19.592 1.00 0.00 C ATOM 658 CD ARG A 46 -9.674 -5.387 -18.282 1.00 0.00 C ATOM 659 NE ARG A 46 -10.705 -5.403 -17.219 1.00 0.00 N ATOM 660 CZ ARG A 46 -10.566 -5.959 -16.003 1.00 0.00 C ATOM 661 NH1 ARG A 46 -9.448 -6.588 -15.672 1.00 0.00 N ATOM 662 NH2 ARG A 46 -11.548 -5.883 -15.119 1.00 0.00 N ATOM 0 H ARG A 46 -12.907 -6.774 -20.164 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.675 -7.868 -21.558 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.301 -7.560 -18.592 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.746 -8.073 -19.217 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.425 -5.919 -20.356 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.050 -5.408 -19.942 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.799 -5.944 -17.948 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.350 -4.361 -18.460 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.597 -4.954 -17.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.682 -6.654 -16.343 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.353 -7.006 -14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.414 -5.401 -15.359 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.438 -6.306 -14.197 1.00 0.00 H new ATOM 676 N GLU A 47 -11.203 -10.299 -21.626 1.00 0.00 N ATOM 677 CA GLU A 47 -11.333 -11.761 -21.688 1.00 0.00 C ATOM 678 C GLU A 47 -9.995 -12.420 -21.333 1.00 0.00 C ATOM 679 O GLU A 47 -8.926 -11.813 -21.512 1.00 0.00 O ATOM 680 CB GLU A 47 -11.788 -12.209 -23.110 1.00 0.00 C ATOM 681 CG GLU A 47 -10.831 -11.799 -24.251 1.00 0.00 C ATOM 682 CD GLU A 47 -11.244 -12.343 -25.631 1.00 0.00 C ATOM 683 OE1 GLU A 47 -10.694 -13.382 -26.071 1.00 0.00 O ATOM 684 OE2 GLU A 47 -12.103 -11.729 -26.298 1.00 0.00 O ATOM 0 H GLU A 47 -10.831 -9.888 -22.482 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.088 -12.075 -20.967 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.897 -13.294 -23.117 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.773 -11.788 -23.311 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.782 -10.711 -24.299 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.827 -12.153 -24.016 1.00 0.00 H new ATOM 691 N PHE A 48 -10.075 -13.655 -20.818 1.00 0.00 N ATOM 692 CA PHE A 48 -8.906 -14.496 -20.526 1.00 0.00 C ATOM 693 C PHE A 48 -8.141 -14.804 -21.821 1.00 0.00 C ATOM 694 O PHE A 48 -8.651 -15.505 -22.705 1.00 0.00 O ATOM 695 CB PHE A 48 -9.361 -15.806 -19.823 1.00 0.00 C ATOM 696 CG PHE A 48 -8.273 -16.875 -19.646 1.00 0.00 C ATOM 697 CD1 PHE A 48 -7.338 -16.794 -18.617 1.00 0.00 C ATOM 698 CD2 PHE A 48 -8.187 -17.966 -20.516 1.00 0.00 C ATOM 699 CE1 PHE A 48 -6.364 -17.767 -18.469 1.00 0.00 C ATOM 700 CE2 PHE A 48 -7.212 -18.929 -20.363 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.301 -18.830 -19.341 1.00 0.00 C ATOM 0 H PHE A 48 -10.963 -14.103 -20.590 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.235 -13.960 -19.855 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.758 -15.551 -18.840 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.181 -16.239 -20.396 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.373 -15.964 -17.927 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.898 -18.056 -21.324 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.649 -17.691 -17.663 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.165 -19.762 -21.048 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.537 -19.584 -19.222 1.00 0.00 H new ATOM 711 N VAL A 49 -6.944 -14.222 -21.934 1.00 0.00 N ATOM 712 CA VAL A 49 -5.978 -14.585 -22.971 1.00 0.00 C ATOM 713 C VAL A 49 -5.168 -15.773 -22.462 1.00 0.00 C ATOM 714 O VAL A 49 -5.196 -16.857 -23.052 1.00 0.00 O ATOM 715 CB VAL A 49 -5.024 -13.389 -23.332 1.00 0.00 C ATOM 716 CG1 VAL A 49 -3.948 -13.797 -24.369 1.00 0.00 C ATOM 717 CG2 VAL A 49 -5.847 -12.185 -23.822 1.00 0.00 C ATOM 0 H VAL A 49 -6.618 -13.485 -21.308 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.514 -14.843 -23.884 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.490 -13.100 -22.427 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.311 -12.940 -24.589 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.340 -14.606 -23.964 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.434 -14.132 -25.285 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.176 -11.362 -24.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.415 -12.469 -24.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.534 -11.870 -23.036 1.00 0.00 H new ATOM 727 N ALA A 50 -4.488 -15.558 -21.322 1.00 0.00 N ATOM 728 CA ALA A 50 -3.589 -16.553 -20.732 1.00 0.00 C ATOM 729 C ALA A 50 -3.121 -16.114 -19.334 1.00 0.00 C ATOM 730 O ALA A 50 -2.987 -14.926 -19.076 1.00 0.00 O ATOM 731 CB ALA A 50 -2.392 -16.793 -21.666 1.00 0.00 C ATOM 0 H ALA A 50 -4.549 -14.691 -20.789 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.133 -17.490 -20.614 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.727 -17.534 -21.222 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.749 -17.157 -22.629 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.850 -15.858 -21.810 1.00 0.00 H new ATOM 737 N VAL A 51 -2.897 -17.093 -18.435 1.00 0.00 N ATOM 738 CA VAL A 51 -2.327 -16.869 -17.083 1.00 0.00 C ATOM 739 C VAL A 51 -1.155 -17.841 -16.880 1.00 0.00 C ATOM 740 O VAL A 51 -1.238 -19.007 -17.259 1.00 0.00 O ATOM 741 CB VAL A 51 -3.400 -17.049 -15.924 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.752 -17.001 -14.509 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.526 -15.986 -16.025 1.00 0.00 C ATOM 0 H VAL A 51 -3.107 -18.073 -18.625 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.986 -15.835 -17.026 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.836 -18.038 -16.061 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.524 -17.128 -13.751 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.018 -17.802 -14.418 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.259 -16.039 -14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.243 -16.137 -15.218 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.093 -14.989 -15.944 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.034 -16.084 -16.984 1.00 0.00 H new ATOM 753 N VAL A 52 -0.063 -17.344 -16.297 1.00 0.00 N ATOM 754 CA VAL A 52 1.145 -18.131 -16.018 1.00 0.00 C ATOM 755 C VAL A 52 1.489 -18.035 -14.518 1.00 0.00 C ATOM 756 O VAL A 52 1.016 -17.135 -13.807 1.00 0.00 O ATOM 757 CB VAL A 52 2.353 -17.607 -16.894 1.00 0.00 C ATOM 758 CG1 VAL A 52 2.907 -16.258 -16.369 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.479 -18.664 -17.046 1.00 0.00 C ATOM 0 H VAL A 52 0.011 -16.371 -16.000 1.00 0.00 H new ATOM 0 HA VAL A 52 0.961 -19.174 -16.275 1.00 0.00 H new ATOM 0 HB VAL A 52 1.952 -17.429 -17.892 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.735 -15.935 -17.000 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.118 -15.507 -16.393 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.258 -16.383 -15.345 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.284 -18.253 -17.656 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.867 -18.926 -16.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.078 -19.556 -17.527 1.00 0.00 H new ATOM 769 N ASN A 53 2.291 -18.987 -14.047 1.00 0.00 N ATOM 770 CA ASN A 53 2.951 -18.920 -12.736 1.00 0.00 C ATOM 771 C ASN A 53 4.276 -18.142 -12.894 1.00 0.00 C ATOM 772 O ASN A 53 4.840 -18.107 -13.992 1.00 0.00 O ATOM 773 CB ASN A 53 3.184 -20.360 -12.205 1.00 0.00 C ATOM 774 CG ASN A 53 3.934 -20.413 -10.875 1.00 0.00 C ATOM 775 OD1 ASN A 53 5.149 -20.593 -10.844 1.00 0.00 O ATOM 776 ND2 ASN A 53 3.217 -20.231 -9.775 1.00 0.00 N ATOM 0 H ASN A 53 2.506 -19.838 -14.567 1.00 0.00 H new ATOM 0 HA ASN A 53 2.329 -18.397 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.220 -20.854 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.744 -20.926 -12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.673 -20.237 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.210 -20.084 -9.841 1.00 0.00 H new ATOM 783 N TRP A 54 4.762 -17.529 -11.803 1.00 0.00 N ATOM 784 CA TRP A 54 6.006 -16.720 -11.803 1.00 0.00 C ATOM 785 C TRP A 54 7.237 -17.517 -12.291 1.00 0.00 C ATOM 786 O TRP A 54 8.127 -16.968 -12.942 1.00 0.00 O ATOM 787 CB TRP A 54 6.263 -16.166 -10.385 1.00 0.00 C ATOM 788 CG TRP A 54 6.467 -17.218 -9.307 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.503 -17.845 -8.565 1.00 0.00 C ATOM 790 CD2 TRP A 54 7.725 -17.748 -8.848 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.081 -18.727 -7.690 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.440 -18.685 -7.845 1.00 0.00 C ATOM 793 CE3 TRP A 54 9.062 -17.515 -9.194 1.00 0.00 C ATOM 794 CZ2 TRP A 54 8.439 -19.396 -7.187 1.00 0.00 C ATOM 795 CZ3 TRP A 54 10.051 -18.217 -8.539 1.00 0.00 C ATOM 796 CH2 TRP A 54 9.737 -19.150 -7.544 1.00 0.00 C ATOM 0 H TRP A 54 4.308 -17.576 -10.891 1.00 0.00 H new ATOM 0 HA TRP A 54 5.861 -15.900 -12.507 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.144 -15.525 -10.417 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.421 -15.535 -10.100 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.441 -17.670 -8.656 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.579 -19.320 -7.029 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.314 -16.798 -9.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.198 -20.118 -6.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.085 -18.044 -8.798 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.534 -19.686 -7.049 1.00 0.00 H new ATOM 807 N SER A 55 7.284 -18.800 -11.916 1.00 0.00 N ATOM 808 CA SER A 55 8.351 -19.725 -12.329 1.00 0.00 C ATOM 809 C SER A 55 8.130 -20.174 -13.786 1.00 0.00 C ATOM 810 O SER A 55 9.085 -20.474 -14.517 1.00 0.00 O ATOM 811 CB SER A 55 8.390 -20.937 -11.366 1.00 0.00 C ATOM 812 OG SER A 55 9.443 -21.834 -11.676 1.00 0.00 O ATOM 0 H SER A 55 6.581 -19.230 -11.315 1.00 0.00 H new ATOM 0 HA SER A 55 9.314 -19.217 -12.280 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.507 -20.582 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.438 -21.467 -11.413 1.00 0.00 H new ATOM 0 HG SER A 55 9.432 -22.583 -11.044 1.00 0.00 H new ATOM 818 N GLY A 56 6.849 -20.200 -14.197 1.00 0.00 N ATOM 819 CA GLY A 56 6.462 -20.570 -15.558 1.00 0.00 C ATOM 820 C GLY A 56 6.089 -22.039 -15.699 1.00 0.00 C ATOM 821 O GLY A 56 5.591 -22.444 -16.754 1.00 0.00 O ATOM 0 H GLY A 56 6.061 -19.965 -13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.616 -19.956 -15.867 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.285 -20.344 -16.236 1.00 0.00 H new ATOM 825 N ARG A 57 6.323 -22.834 -14.626 1.00 0.00 N ATOM 826 CA ARG A 57 6.037 -24.293 -14.601 1.00 0.00 C ATOM 827 C ARG A 57 4.540 -24.607 -14.856 1.00 0.00 C ATOM 828 O ARG A 57 4.201 -25.669 -15.387 1.00 0.00 O ATOM 829 CB ARG A 57 6.581 -24.927 -13.273 1.00 0.00 C ATOM 830 CG ARG A 57 6.282 -24.158 -11.949 1.00 0.00 C ATOM 831 CD ARG A 57 4.842 -24.309 -11.431 1.00 0.00 C ATOM 832 NE ARG A 57 4.612 -23.533 -10.198 1.00 0.00 N ATOM 833 CZ ARG A 57 3.625 -23.754 -9.313 1.00 0.00 C ATOM 834 NH1 ARG A 57 2.760 -24.744 -9.483 1.00 0.00 N ATOM 835 NH2 ARG A 57 3.526 -22.983 -8.239 1.00 0.00 N ATOM 0 H ARG A 57 6.715 -22.483 -13.752 1.00 0.00 H new ATOM 0 HA ARG A 57 6.568 -24.760 -15.430 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.168 -25.931 -13.183 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.662 -25.034 -13.366 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.970 -24.507 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.489 -23.099 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.144 -23.981 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.634 -25.362 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 57 5.255 -22.766 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.837 -25.354 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.018 -24.896 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.196 -22.229 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.780 -23.144 -7.563 1.00 0.00 H new ATOM 849 N ARG A 58 3.662 -23.665 -14.482 1.00 0.00 N ATOM 850 CA ARG A 58 2.224 -23.708 -14.821 1.00 0.00 C ATOM 851 C ARG A 58 1.912 -22.632 -15.869 1.00 0.00 C ATOM 852 O ARG A 58 2.179 -21.451 -15.650 1.00 0.00 O ATOM 853 CB ARG A 58 1.342 -23.523 -13.545 1.00 0.00 C ATOM 854 CG ARG A 58 1.134 -24.816 -12.728 1.00 0.00 C ATOM 855 CD ARG A 58 0.392 -25.897 -13.543 1.00 0.00 C ATOM 856 NE ARG A 58 0.144 -27.122 -12.760 1.00 0.00 N ATOM 857 CZ ARG A 58 -1.048 -27.732 -12.634 1.00 0.00 C ATOM 858 NH1 ARG A 58 -2.152 -27.192 -13.153 1.00 0.00 N ATOM 859 NH2 ARG A 58 -1.133 -28.871 -11.962 1.00 0.00 N ATOM 0 H ARG A 58 3.926 -22.847 -13.933 1.00 0.00 H new ATOM 0 HA ARG A 58 1.988 -24.686 -15.239 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.803 -22.771 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.368 -23.134 -13.843 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.101 -25.203 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.567 -24.588 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.558 -25.495 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.978 -26.147 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 58 0.939 -27.539 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.099 -26.305 -13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.049 -27.666 -13.049 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.297 -29.280 -11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.034 -29.339 -11.863 1.00 0.00 H new ATOM 873 N THR A 59 1.366 -23.070 -17.009 1.00 0.00 N ATOM 874 CA THR A 59 0.920 -22.201 -18.105 1.00 0.00 C ATOM 875 C THR A 59 -0.539 -22.549 -18.455 1.00 0.00 C ATOM 876 O THR A 59 -0.889 -23.731 -18.573 1.00 0.00 O ATOM 877 CB THR A 59 1.823 -22.375 -19.372 1.00 0.00 C ATOM 878 OG1 THR A 59 1.896 -23.768 -19.729 1.00 0.00 O ATOM 879 CG2 THR A 59 3.248 -21.824 -19.171 1.00 0.00 C ATOM 0 H THR A 59 1.218 -24.061 -17.200 1.00 0.00 H new ATOM 0 HA THR A 59 0.995 -21.163 -17.781 1.00 0.00 H new ATOM 0 HB THR A 59 1.361 -21.798 -20.173 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.010 -24.176 -19.636 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.827 -21.973 -20.082 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.198 -20.759 -18.943 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.728 -22.350 -18.346 1.00 0.00 H new ATOM 887 N TYR A 60 -1.375 -21.518 -18.601 1.00 0.00 N ATOM 888 CA TYR A 60 -2.803 -21.651 -18.935 1.00 0.00 C ATOM 889 C TYR A 60 -3.086 -20.735 -20.134 1.00 0.00 C ATOM 890 O TYR A 60 -2.728 -19.563 -20.093 1.00 0.00 O ATOM 891 CB TYR A 60 -3.691 -21.254 -17.715 1.00 0.00 C ATOM 892 CG TYR A 60 -3.360 -22.014 -16.414 1.00 0.00 C ATOM 893 CD1 TYR A 60 -2.660 -21.406 -15.361 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.741 -23.348 -16.246 1.00 0.00 C ATOM 895 CE1 TYR A 60 -2.353 -22.105 -14.204 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.435 -24.043 -15.089 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.747 -23.418 -14.075 1.00 0.00 C ATOM 898 OH TYR A 60 -2.444 -24.114 -12.925 1.00 0.00 O ATOM 0 H TYR A 60 -1.077 -20.549 -18.489 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.041 -22.685 -19.185 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.583 -20.184 -17.535 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.736 -21.430 -17.969 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.355 -20.374 -15.454 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.285 -23.846 -17.035 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.807 -21.622 -13.407 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.736 -25.075 -14.982 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.133 -24.792 -12.762 1.00 0.00 H new ATOM 908 N TYR A 61 -3.687 -21.280 -21.208 1.00 0.00 N ATOM 909 CA TYR A 61 -3.974 -20.526 -22.452 1.00 0.00 C ATOM 910 C TYR A 61 -5.439 -20.707 -22.870 1.00 0.00 C ATOM 911 O TYR A 61 -6.036 -21.765 -22.629 1.00 0.00 O ATOM 912 CB TYR A 61 -3.063 -21.007 -23.617 1.00 0.00 C ATOM 913 CG TYR A 61 -1.567 -20.702 -23.450 1.00 0.00 C ATOM 914 CD1 TYR A 61 -0.725 -21.569 -22.751 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.996 -19.539 -23.987 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.619 -21.291 -22.590 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.351 -19.265 -23.829 1.00 0.00 C ATOM 918 CZ TYR A 61 1.153 -20.144 -23.126 1.00 0.00 C ATOM 919 OH TYR A 61 2.495 -19.859 -22.944 1.00 0.00 O ATOM 0 H TYR A 61 -3.989 -22.254 -21.242 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.777 -19.474 -22.247 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.187 -22.084 -23.732 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.410 -20.546 -24.542 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.132 -22.475 -22.328 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.618 -18.846 -24.533 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.250 -21.976 -22.043 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.774 -18.367 -24.254 1.00 0.00 H new ATOM 0 HH TYR A 61 3.037 -20.489 -23.464 1.00 0.00 H new ATOM 929 N ALA A 62 -5.999 -19.661 -23.496 1.00 0.00 N ATOM 930 CA ALA A 62 -7.277 -19.744 -24.214 1.00 0.00 C ATOM 931 C ALA A 62 -7.037 -20.485 -25.540 1.00 0.00 C ATOM 932 O ALA A 62 -6.046 -20.213 -26.219 1.00 0.00 O ATOM 933 CB ALA A 62 -7.856 -18.340 -24.465 1.00 0.00 C ATOM 0 H ALA A 62 -5.577 -18.733 -23.518 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.005 -20.289 -23.613 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.803 -18.427 -24.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.021 -17.839 -23.511 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.155 -17.759 -25.064 1.00 0.00 H new ATOM 939 N ASP A 63 -7.952 -21.392 -25.904 1.00 0.00 N ATOM 940 CA ASP A 63 -7.781 -22.319 -27.049 1.00 0.00 C ATOM 941 C ASP A 63 -7.562 -21.582 -28.399 1.00 0.00 C ATOM 942 O ASP A 63 -6.876 -22.095 -29.290 1.00 0.00 O ATOM 943 CB ASP A 63 -9.002 -23.268 -27.139 1.00 0.00 C ATOM 944 CG ASP A 63 -10.328 -22.541 -27.442 1.00 0.00 C ATOM 945 OD1 ASP A 63 -10.845 -21.842 -26.547 1.00 0.00 O ATOM 946 OD2 ASP A 63 -10.854 -22.668 -28.569 1.00 0.00 O ATOM 0 H ASP A 63 -8.839 -21.511 -25.415 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.875 -22.897 -26.865 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.818 -24.010 -27.916 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.101 -23.809 -26.198 1.00 0.00 H new ATOM 951 N SER A 64 -8.150 -20.378 -28.525 1.00 0.00 N ATOM 952 CA SER A 64 -8.022 -19.538 -29.732 1.00 0.00 C ATOM 953 C SER A 64 -6.591 -18.974 -29.886 1.00 0.00 C ATOM 954 O SER A 64 -6.035 -18.965 -30.990 1.00 0.00 O ATOM 955 CB SER A 64 -9.063 -18.396 -29.701 1.00 0.00 C ATOM 956 OG SER A 64 -10.380 -18.921 -29.664 1.00 0.00 O ATOM 0 H SER A 64 -8.726 -19.960 -27.795 1.00 0.00 H new ATOM 0 HA SER A 64 -8.217 -20.167 -30.601 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.893 -17.765 -28.829 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.943 -17.763 -30.580 1.00 0.00 H new ATOM 0 HG SER A 64 -11.026 -18.184 -29.643 1.00 0.00 H new ATOM 962 N VAL A 65 -5.995 -18.532 -28.762 1.00 0.00 N ATOM 963 CA VAL A 65 -4.648 -17.916 -28.743 1.00 0.00 C ATOM 964 C VAL A 65 -3.546 -18.967 -28.460 1.00 0.00 C ATOM 965 O VAL A 65 -2.352 -18.671 -28.579 1.00 0.00 O ATOM 966 CB VAL A 65 -4.567 -16.751 -27.686 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.670 -15.689 -27.923 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.591 -17.280 -26.228 1.00 0.00 C ATOM 0 H VAL A 65 -6.430 -18.590 -27.841 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.475 -17.498 -29.735 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.603 -16.262 -27.829 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.583 -14.901 -27.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.554 -15.259 -28.918 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.650 -16.159 -27.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.533 -16.440 -25.535 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.516 -17.830 -26.056 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.740 -17.942 -26.067 1.00 0.00 H new ATOM 978 N LYS A 66 -3.968 -20.187 -28.088 1.00 0.00 N ATOM 979 CA LYS A 66 -3.058 -21.294 -27.738 1.00 0.00 C ATOM 980 C LYS A 66 -2.270 -21.754 -28.978 1.00 0.00 C ATOM 981 O LYS A 66 -2.793 -21.720 -30.094 1.00 0.00 O ATOM 982 CB LYS A 66 -3.871 -22.483 -27.152 1.00 0.00 C ATOM 983 CG LYS A 66 -3.017 -23.674 -26.656 1.00 0.00 C ATOM 984 CD LYS A 66 -3.857 -24.832 -26.075 1.00 0.00 C ATOM 985 CE LYS A 66 -4.683 -24.426 -24.843 1.00 0.00 C ATOM 986 NZ LYS A 66 -5.380 -25.593 -24.239 1.00 0.00 N ATOM 0 H LYS A 66 -4.955 -20.436 -28.021 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.350 -20.941 -26.988 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.475 -22.117 -26.322 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.562 -22.843 -27.914 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.417 -24.051 -27.484 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.323 -23.321 -25.894 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.529 -25.207 -26.847 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.193 -25.653 -25.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.029 -23.969 -24.101 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.416 -23.672 -25.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.927 -25.281 -23.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.023 -26.014 -24.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.678 -26.301 -23.943 1.00 0.00 H new ATOM 1000 N GLY A 67 -1.007 -22.154 -28.765 1.00 0.00 N ATOM 1001 CA GLY A 67 -0.130 -22.645 -29.830 1.00 0.00 C ATOM 1002 C GLY A 67 0.630 -21.538 -30.559 1.00 0.00 C ATOM 1003 O GLY A 67 1.700 -21.790 -31.127 1.00 0.00 O ATOM 0 H GLY A 67 -0.567 -22.145 -27.845 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.587 -23.346 -29.403 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.727 -23.201 -30.553 1.00 0.00 H new ATOM 1007 N ARG A 68 0.081 -20.311 -30.545 1.00 0.00 N ATOM 1008 CA ARG A 68 0.684 -19.148 -31.223 1.00 0.00 C ATOM 1009 C ARG A 68 1.156 -18.090 -30.198 1.00 0.00 C ATOM 1010 O ARG A 68 1.994 -17.245 -30.522 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.315 -18.549 -32.256 1.00 0.00 C ATOM 1012 CG ARG A 68 -1.596 -17.945 -31.649 1.00 0.00 C ATOM 1013 CD ARG A 68 -2.511 -17.257 -32.683 1.00 0.00 C ATOM 1014 NE ARG A 68 -3.493 -16.371 -32.022 1.00 0.00 N ATOM 1015 CZ ARG A 68 -4.806 -16.314 -32.279 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -5.374 -17.086 -33.199 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -5.554 -15.472 -31.591 1.00 0.00 N ATOM 0 H ARG A 68 -0.793 -20.097 -30.064 1.00 0.00 H new ATOM 0 HA ARG A 68 1.568 -19.480 -31.767 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.198 -17.776 -32.828 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.599 -19.331 -32.960 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.157 -18.735 -31.150 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.318 -17.220 -30.885 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.905 -16.677 -33.380 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.035 -18.012 -33.268 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.136 -15.743 -31.301 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.807 -17.745 -33.732 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.377 -17.020 -33.372 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.130 -14.879 -30.878 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.556 -15.414 -31.773 1.00 0.00 H new ATOM 1031 N PHE A 69 0.605 -18.131 -28.965 1.00 0.00 N ATOM 1032 CA PHE A 69 1.035 -17.245 -27.850 1.00 0.00 C ATOM 1033 C PHE A 69 1.959 -18.010 -26.889 1.00 0.00 C ATOM 1034 O PHE A 69 1.920 -19.244 -26.819 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.191 -16.680 -27.068 1.00 0.00 C ATOM 1036 CG PHE A 69 -0.978 -15.557 -27.757 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.060 -15.456 -29.140 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.664 -14.609 -26.999 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -1.795 -14.458 -29.744 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -2.395 -13.606 -27.607 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.460 -13.531 -28.978 1.00 0.00 C ATOM 0 H PHE A 69 -0.146 -18.773 -28.711 1.00 0.00 H new ATOM 0 HA PHE A 69 1.579 -16.405 -28.283 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.876 -17.503 -26.865 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.159 -16.311 -26.104 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.537 -16.174 -29.755 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.624 -14.659 -25.921 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.848 -14.405 -30.821 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.917 -12.879 -27.003 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.032 -12.746 -29.451 1.00 0.00 H new ATOM 1051 N THR A 70 2.793 -17.251 -26.168 1.00 0.00 N ATOM 1052 CA THR A 70 3.649 -17.754 -25.083 1.00 0.00 C ATOM 1053 C THR A 70 3.831 -16.634 -24.045 1.00 0.00 C ATOM 1054 O THR A 70 4.036 -15.476 -24.421 1.00 0.00 O ATOM 1055 CB THR A 70 5.056 -18.221 -25.617 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.885 -19.232 -26.620 1.00 0.00 O ATOM 1057 CG2 THR A 70 5.968 -18.769 -24.499 1.00 0.00 C ATOM 0 H THR A 70 2.895 -16.248 -26.325 1.00 0.00 H new ATOM 0 HA THR A 70 3.168 -18.622 -24.633 1.00 0.00 H new ATOM 0 HB THR A 70 5.542 -17.340 -26.037 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.763 -19.518 -26.950 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.923 -19.075 -24.926 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.136 -17.992 -23.753 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.490 -19.627 -24.027 1.00 0.00 H new ATOM 1065 N ILE A 71 3.738 -16.970 -22.740 1.00 0.00 N ATOM 1066 CA ILE A 71 4.148 -16.047 -21.666 1.00 0.00 C ATOM 1067 C ILE A 71 5.526 -16.511 -21.207 1.00 0.00 C ATOM 1068 O ILE A 71 5.693 -17.667 -20.807 1.00 0.00 O ATOM 1069 CB ILE A 71 3.209 -15.973 -20.383 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.690 -15.908 -20.730 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.603 -14.750 -19.516 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.079 -17.238 -21.081 1.00 0.00 C ATOM 0 H ILE A 71 3.385 -17.868 -22.409 1.00 0.00 H new ATOM 0 HA ILE A 71 4.108 -15.046 -22.095 1.00 0.00 H new ATOM 0 HB ILE A 71 3.362 -16.899 -19.829 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.153 -15.487 -19.880 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.549 -15.224 -21.567 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.958 -14.703 -18.639 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.641 -14.849 -19.198 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.488 -13.837 -20.101 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.022 -17.104 -21.309 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.588 -17.654 -21.951 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.185 -17.921 -20.238 1.00 0.00 H new ATOM 1084 N SER A 72 6.500 -15.615 -21.302 1.00 0.00 N ATOM 1085 CA SER A 72 7.875 -15.860 -20.867 1.00 0.00 C ATOM 1086 C SER A 72 8.238 -14.764 -19.869 1.00 0.00 C ATOM 1087 O SER A 72 7.929 -13.603 -20.104 1.00 0.00 O ATOM 1088 CB SER A 72 8.811 -15.846 -22.098 1.00 0.00 C ATOM 1089 OG SER A 72 8.353 -16.752 -23.084 1.00 0.00 O ATOM 0 H SER A 72 6.358 -14.682 -21.689 1.00 0.00 H new ATOM 0 HA SER A 72 7.980 -16.834 -20.389 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.857 -14.840 -22.515 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.823 -16.112 -21.794 1.00 0.00 H new ATOM 0 HG SER A 72 9.119 -17.214 -23.485 1.00 0.00 H new ATOM 1095 N ARG A 73 8.897 -15.120 -18.764 1.00 0.00 N ATOM 1096 CA ARG A 73 9.184 -14.163 -17.687 1.00 0.00 C ATOM 1097 C ARG A 73 10.557 -14.450 -17.071 1.00 0.00 C ATOM 1098 O ARG A 73 10.909 -15.602 -16.778 1.00 0.00 O ATOM 1099 CB ARG A 73 8.061 -14.148 -16.592 1.00 0.00 C ATOM 1100 CG ARG A 73 7.924 -15.392 -15.669 1.00 0.00 C ATOM 1101 CD ARG A 73 7.330 -16.658 -16.337 1.00 0.00 C ATOM 1102 NE ARG A 73 8.303 -17.405 -17.163 1.00 0.00 N ATOM 1103 CZ ARG A 73 7.980 -18.306 -18.110 1.00 0.00 C ATOM 1104 NH1 ARG A 73 6.708 -18.586 -18.379 1.00 0.00 N ATOM 1105 NH2 ARG A 73 8.940 -18.927 -18.779 1.00 0.00 N ATOM 0 H ARG A 73 9.243 -16.063 -18.589 1.00 0.00 H new ATOM 0 HA ARG A 73 9.202 -13.166 -18.128 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.226 -13.278 -15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.106 -13.999 -17.095 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.909 -15.640 -15.274 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.298 -15.124 -14.818 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.941 -17.319 -15.562 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.485 -16.367 -16.961 1.00 0.00 H new ATOM 0 HE ARG A 73 9.294 -17.224 -17.003 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.963 -18.116 -17.865 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.478 -19.271 -19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.918 -18.722 -18.576 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.701 -19.610 -19.497 1.00 0.00 H new ATOM 1119 N ASP A 74 11.340 -13.383 -16.935 1.00 0.00 N ATOM 1120 CA ASP A 74 12.637 -13.393 -16.272 1.00 0.00 C ATOM 1121 C ASP A 74 12.455 -12.785 -14.885 1.00 0.00 C ATOM 1122 O ASP A 74 12.195 -11.589 -14.768 1.00 0.00 O ATOM 1123 CB ASP A 74 13.664 -12.575 -17.098 1.00 0.00 C ATOM 1124 CG ASP A 74 13.821 -13.098 -18.539 1.00 0.00 C ATOM 1125 OD1 ASP A 74 14.678 -13.977 -18.781 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.084 -12.635 -19.437 1.00 0.00 O ATOM 0 H ASP A 74 11.081 -12.464 -17.293 1.00 0.00 H new ATOM 0 HA ASP A 74 13.016 -14.411 -16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.352 -11.531 -17.127 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.632 -12.604 -16.598 1.00 0.00 H new ATOM 1131 N ASN A 75 12.542 -13.621 -13.845 1.00 0.00 N ATOM 1132 CA ASN A 75 12.429 -13.172 -12.448 1.00 0.00 C ATOM 1133 C ASN A 75 13.658 -12.313 -12.065 1.00 0.00 C ATOM 1134 O ASN A 75 13.558 -11.428 -11.214 1.00 0.00 O ATOM 1135 CB ASN A 75 12.287 -14.392 -11.500 1.00 0.00 C ATOM 1136 CG ASN A 75 11.155 -15.348 -11.907 1.00 0.00 C ATOM 1137 OD1 ASN A 75 11.376 -16.298 -12.653 1.00 0.00 O ATOM 1138 ND2 ASN A 75 9.938 -15.093 -11.445 1.00 0.00 N ATOM 0 H ASN A 75 12.692 -14.625 -13.944 1.00 0.00 H new ATOM 0 HA ASN A 75 11.535 -12.557 -12.344 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.228 -14.941 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.106 -14.036 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.156 -15.693 -11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.784 -14.297 -10.827 1.00 0.00 H new ATOM 1145 N ALA A 76 14.801 -12.577 -12.736 1.00 0.00 N ATOM 1146 CA ALA A 76 16.067 -11.848 -12.522 1.00 0.00 C ATOM 1147 C ALA A 76 15.975 -10.388 -13.020 1.00 0.00 C ATOM 1148 O ALA A 76 16.374 -9.456 -12.311 1.00 0.00 O ATOM 1149 CB ALA A 76 17.217 -12.596 -13.213 1.00 0.00 C ATOM 0 H ALA A 76 14.869 -13.307 -13.445 1.00 0.00 H new ATOM 0 HA ALA A 76 16.264 -11.806 -11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.150 -12.056 -13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.302 -13.599 -12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.016 -12.665 -14.282 1.00 0.00 H new ATOM 1155 N LYS A 77 15.452 -10.202 -14.252 1.00 0.00 N ATOM 1156 CA LYS A 77 15.198 -8.854 -14.817 1.00 0.00 C ATOM 1157 C LYS A 77 13.883 -8.266 -14.276 1.00 0.00 C ATOM 1158 O LYS A 77 13.634 -7.061 -14.416 1.00 0.00 O ATOM 1159 CB LYS A 77 15.130 -8.892 -16.365 1.00 0.00 C ATOM 1160 CG LYS A 77 16.414 -9.388 -17.062 1.00 0.00 C ATOM 1161 CD LYS A 77 16.385 -9.196 -18.602 1.00 0.00 C ATOM 1162 CE LYS A 77 15.191 -9.890 -19.271 1.00 0.00 C ATOM 1163 NZ LYS A 77 15.185 -9.706 -20.739 1.00 0.00 N ATOM 0 H LYS A 77 15.197 -10.967 -14.876 1.00 0.00 H new ATOM 0 HA LYS A 77 16.032 -8.222 -14.512 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.302 -9.536 -16.662 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.901 -7.890 -16.728 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.272 -8.855 -16.652 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.557 -10.445 -16.836 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.353 -8.130 -18.829 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.310 -9.585 -19.028 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.217 -10.955 -19.041 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.264 -9.496 -18.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.225 -9.460 -21.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.841 -8.941 -20.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.485 -10.588 -21.201 1.00 0.00 H new ATOM 1177 N ASN A 78 13.044 -9.148 -13.690 1.00 0.00 N ATOM 1178 CA ASN A 78 11.677 -8.826 -13.224 1.00 0.00 C ATOM 1179 C ASN A 78 10.785 -8.382 -14.402 1.00 0.00 C ATOM 1180 O ASN A 78 9.826 -7.650 -14.218 1.00 0.00 O ATOM 1181 CB ASN A 78 11.702 -7.759 -12.093 1.00 0.00 C ATOM 1182 CG ASN A 78 12.474 -8.205 -10.852 1.00 0.00 C ATOM 1183 OD1 ASN A 78 11.903 -8.761 -9.915 1.00 0.00 O ATOM 1184 ND2 ASN A 78 13.778 -7.969 -10.841 1.00 0.00 N ATOM 0 H ASN A 78 13.302 -10.121 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 78 11.243 -9.733 -12.803 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.148 -6.842 -12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.678 -7.519 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.341 -8.251 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.219 -7.506 -11.635 1.00 0.00 H new ATOM 1191 N THR A 79 11.094 -8.878 -15.612 1.00 0.00 N ATOM 1192 CA THR A 79 10.421 -8.445 -16.854 1.00 0.00 C ATOM 1193 C THR A 79 9.749 -9.639 -17.550 1.00 0.00 C ATOM 1194 O THR A 79 10.346 -10.709 -17.679 1.00 0.00 O ATOM 1195 CB THR A 79 11.429 -7.763 -17.836 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.192 -6.769 -17.130 1.00 0.00 O ATOM 1197 CG2 THR A 79 10.714 -7.102 -19.037 1.00 0.00 C ATOM 0 H THR A 79 11.813 -9.587 -15.759 1.00 0.00 H new ATOM 0 HA THR A 79 9.659 -7.716 -16.578 1.00 0.00 H new ATOM 0 HB THR A 79 12.086 -8.541 -18.226 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.824 -6.344 -17.746 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.453 -6.641 -19.692 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.159 -7.859 -19.592 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.024 -6.339 -18.675 1.00 0.00 H new ATOM 1205 N VAL A 80 8.506 -9.420 -17.994 1.00 0.00 N ATOM 1206 CA VAL A 80 7.666 -10.423 -18.665 1.00 0.00 C ATOM 1207 C VAL A 80 7.534 -10.063 -20.160 1.00 0.00 C ATOM 1208 O VAL A 80 7.704 -8.899 -20.544 1.00 0.00 O ATOM 1209 CB VAL A 80 6.249 -10.503 -17.978 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.418 -11.699 -18.510 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.389 -10.555 -16.429 1.00 0.00 C ATOM 0 H VAL A 80 8.043 -8.517 -17.895 1.00 0.00 H new ATOM 0 HA VAL A 80 8.134 -11.403 -18.578 1.00 0.00 H new ATOM 0 HB VAL A 80 5.704 -9.596 -18.239 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.449 -11.719 -18.012 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.271 -11.591 -19.585 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.949 -12.629 -18.308 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.399 -10.610 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.967 -11.434 -16.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.899 -9.657 -16.079 1.00 0.00 H new ATOM 1221 N TYR A 81 7.257 -11.077 -20.995 1.00 0.00 N ATOM 1222 CA TYR A 81 7.177 -10.957 -22.456 1.00 0.00 C ATOM 1223 C TYR A 81 6.040 -11.857 -22.970 1.00 0.00 C ATOM 1224 O TYR A 81 6.127 -13.085 -22.853 1.00 0.00 O ATOM 1225 CB TYR A 81 8.523 -11.379 -23.127 1.00 0.00 C ATOM 1226 CG TYR A 81 9.746 -10.547 -22.704 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.029 -9.319 -23.309 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.611 -10.986 -21.696 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.123 -8.563 -22.927 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.707 -10.234 -21.313 1.00 0.00 C ATOM 1231 CZ TYR A 81 11.958 -9.023 -21.931 1.00 0.00 C ATOM 1232 OH TYR A 81 13.045 -8.264 -21.543 1.00 0.00 O ATOM 0 H TYR A 81 7.079 -12.025 -20.663 1.00 0.00 H new ATOM 0 HA TYR A 81 6.980 -9.916 -22.713 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.716 -12.426 -22.894 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.411 -11.309 -24.209 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.380 -8.953 -24.091 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.419 -11.930 -21.208 1.00 0.00 H new ATOM 0 HE1 TYR A 81 11.322 -7.616 -23.407 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.364 -10.592 -20.534 1.00 0.00 H new ATOM 0 HH TYR A 81 12.843 -7.314 -21.673 1.00 0.00 H new ATOM 1242 N LEU A 82 4.971 -11.250 -23.511 1.00 0.00 N ATOM 1243 CA LEU A 82 3.877 -11.995 -24.157 1.00 0.00 C ATOM 1244 C LEU A 82 4.193 -12.087 -25.659 1.00 0.00 C ATOM 1245 O LEU A 82 3.987 -11.133 -26.409 1.00 0.00 O ATOM 1246 CB LEU A 82 2.504 -11.303 -23.881 1.00 0.00 C ATOM 1247 CG LEU A 82 1.187 -12.138 -24.105 1.00 0.00 C ATOM 1248 CD1 LEU A 82 0.830 -12.314 -25.583 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.259 -13.504 -23.404 1.00 0.00 C ATOM 0 H LEU A 82 4.841 -10.238 -23.514 1.00 0.00 H new ATOM 0 HA LEU A 82 3.798 -13.002 -23.747 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.507 -10.959 -22.847 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.446 -10.416 -24.512 1.00 0.00 H new ATOM 0 HG LEU A 82 0.386 -11.554 -23.652 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.087 -12.898 -25.669 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.682 -11.336 -26.040 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.640 -12.834 -26.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.334 -14.052 -23.580 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.099 -14.073 -23.801 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.395 -13.356 -22.333 1.00 0.00 H new ATOM 1261 N GLN A 83 4.739 -13.234 -26.067 1.00 0.00 N ATOM 1262 CA GLN A 83 5.139 -13.499 -27.450 1.00 0.00 C ATOM 1263 C GLN A 83 3.940 -14.000 -28.267 1.00 0.00 C ATOM 1264 O GLN A 83 3.501 -15.141 -28.094 1.00 0.00 O ATOM 1265 CB GLN A 83 6.278 -14.550 -27.466 1.00 0.00 C ATOM 1266 CG GLN A 83 7.525 -14.146 -26.663 1.00 0.00 C ATOM 1267 CD GLN A 83 8.620 -15.211 -26.713 1.00 0.00 C ATOM 1268 OE1 GLN A 83 9.461 -15.198 -27.604 1.00 0.00 O ATOM 1269 NE2 GLN A 83 8.608 -16.141 -25.772 1.00 0.00 N ATOM 0 H GLN A 83 4.918 -14.016 -25.437 1.00 0.00 H new ATOM 0 HA GLN A 83 5.498 -12.574 -27.902 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.894 -15.490 -27.070 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.570 -14.735 -28.500 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.917 -13.207 -27.054 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.243 -13.967 -25.625 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.893 -16.122 -25.045 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.314 -16.877 -25.774 1.00 0.00 H new ATOM 1278 N MET A 84 3.391 -13.125 -29.120 1.00 0.00 N ATOM 1279 CA MET A 84 2.321 -13.486 -30.064 1.00 0.00 C ATOM 1280 C MET A 84 2.933 -13.846 -31.422 1.00 0.00 C ATOM 1281 O MET A 84 3.911 -13.226 -31.849 1.00 0.00 O ATOM 1282 CB MET A 84 1.315 -12.323 -30.261 1.00 0.00 C ATOM 1283 CG MET A 84 0.693 -11.781 -28.975 1.00 0.00 C ATOM 1284 SD MET A 84 -0.637 -10.588 -29.260 1.00 0.00 S ATOM 1285 CE MET A 84 0.217 -9.294 -30.149 1.00 0.00 C ATOM 0 H MET A 84 3.675 -12.147 -29.176 1.00 0.00 H new ATOM 0 HA MET A 84 1.786 -14.339 -29.647 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.823 -11.506 -30.773 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.515 -12.663 -30.919 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.303 -12.614 -28.391 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.471 -11.308 -28.376 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.148 -8.361 -29.589 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.265 -9.567 -30.272 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.241 -9.163 -31.129 1.00 0.00 H new ATOM 1295 N ASN A 85 2.354 -14.854 -32.077 1.00 0.00 N ATOM 1296 CA ASN A 85 2.697 -15.266 -33.456 1.00 0.00 C ATOM 1297 C ASN A 85 1.400 -15.576 -34.205 1.00 0.00 C ATOM 1298 O ASN A 85 0.352 -15.738 -33.568 1.00 0.00 O ATOM 1299 CB ASN A 85 3.614 -16.522 -33.463 1.00 0.00 C ATOM 1300 CG ASN A 85 4.977 -16.288 -32.803 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.133 -16.449 -31.592 1.00 0.00 O ATOM 1302 ND2 ASN A 85 5.978 -15.920 -33.590 1.00 0.00 N ATOM 0 H ASN A 85 1.617 -15.424 -31.662 1.00 0.00 H new ATOM 0 HA ASN A 85 3.240 -14.455 -33.941 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.105 -17.337 -32.948 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.768 -16.843 -34.493 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.906 -15.763 -33.196 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.821 -15.794 -34.590 1.00 0.00 H new ATOM 1309 N SER A 86 1.472 -15.612 -35.554 1.00 0.00 N ATOM 1310 CA SER A 86 0.383 -16.103 -36.434 1.00 0.00 C ATOM 1311 C SER A 86 -0.965 -15.415 -36.131 1.00 0.00 C ATOM 1312 O SER A 86 -2.016 -16.061 -36.038 1.00 0.00 O ATOM 1313 CB SER A 86 0.285 -17.648 -36.327 1.00 0.00 C ATOM 1314 OG SER A 86 1.530 -18.276 -36.633 1.00 0.00 O ATOM 0 H SER A 86 2.294 -15.299 -36.069 1.00 0.00 H new ATOM 0 HA SER A 86 0.626 -15.840 -37.464 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.025 -17.925 -35.319 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.484 -18.012 -37.008 1.00 0.00 H new ATOM 0 HG SER A 86 1.434 -19.248 -36.555 1.00 0.00 H new ATOM 1320 N LEU A 87 -0.893 -14.090 -35.982 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.021 -13.252 -35.549 1.00 0.00 C ATOM 1322 C LEU A 87 -3.108 -13.137 -36.634 1.00 0.00 C ATOM 1323 O LEU A 87 -2.818 -12.810 -37.782 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.489 -11.857 -35.145 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.656 -11.819 -33.829 1.00 0.00 C ATOM 1326 CD1 LEU A 87 0.055 -10.464 -33.652 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.554 -12.156 -32.613 1.00 0.00 C ATOM 0 H LEU A 87 -0.040 -13.559 -36.160 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.494 -13.726 -34.689 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.873 -11.472 -35.957 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.336 -11.180 -35.039 1.00 0.00 H new ATOM 0 HG LEU A 87 0.122 -12.579 -33.895 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.627 -10.472 -32.724 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.728 -10.294 -34.492 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.687 -9.666 -33.614 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.958 -12.126 -31.701 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.361 -11.427 -32.544 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.976 -13.153 -32.738 1.00 0.00 H new ATOM 1339 N LYS A 88 -4.356 -13.432 -36.240 1.00 0.00 N ATOM 1340 CA LYS A 88 -5.546 -13.274 -37.098 1.00 0.00 C ATOM 1341 C LYS A 88 -6.058 -11.826 -36.981 1.00 0.00 C ATOM 1342 O LYS A 88 -5.956 -11.256 -35.904 1.00 0.00 O ATOM 1343 CB LYS A 88 -6.662 -14.301 -36.705 1.00 0.00 C ATOM 1344 CG LYS A 88 -6.451 -15.732 -37.262 1.00 0.00 C ATOM 1345 CD LYS A 88 -5.158 -16.408 -36.748 1.00 0.00 C ATOM 1346 CE LYS A 88 -4.848 -17.728 -37.467 1.00 0.00 C ATOM 1347 NZ LYS A 88 -3.561 -18.316 -37.019 1.00 0.00 N ATOM 0 H LYS A 88 -4.572 -13.790 -35.310 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.274 -13.476 -38.134 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.721 -14.354 -35.618 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.622 -13.926 -37.059 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.307 -16.349 -36.990 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.421 -15.689 -38.351 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.320 -15.724 -36.878 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.253 -16.596 -35.679 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.654 -18.438 -37.284 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.813 -17.555 -38.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.088 -18.772 -37.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.950 -17.565 -36.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.742 -19.024 -36.279 1.00 0.00 H new ATOM 1361 N PRO A 89 -6.596 -11.213 -38.095 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.114 -9.800 -38.122 1.00 0.00 C ATOM 1363 C PRO A 89 -7.992 -9.396 -36.907 1.00 0.00 C ATOM 1364 O PRO A 89 -7.933 -8.260 -36.422 1.00 0.00 O ATOM 1365 CB PRO A 89 -7.956 -9.785 -39.416 1.00 0.00 C ATOM 1366 CG PRO A 89 -7.248 -10.735 -40.328 1.00 0.00 C ATOM 1367 CD PRO A 89 -6.718 -11.845 -39.443 1.00 0.00 C ATOM 0 HA PRO A 89 -6.293 -9.084 -38.082 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.981 -10.104 -39.227 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.007 -8.785 -39.846 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.927 -11.129 -41.084 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.436 -10.236 -40.857 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.397 -12.697 -39.423 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.756 -12.213 -39.799 1.00 0.00 H new ATOM 1375 N GLU A 90 -8.769 -10.367 -36.419 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.765 -10.189 -35.334 1.00 0.00 C ATOM 1377 C GLU A 90 -9.123 -10.023 -33.927 1.00 0.00 C ATOM 1378 O GLU A 90 -9.815 -9.680 -32.963 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.723 -11.410 -35.364 1.00 0.00 C ATOM 1380 CG GLU A 90 -10.016 -12.778 -35.191 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.891 -13.968 -35.611 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.850 -14.350 -36.806 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.623 -14.524 -34.764 1.00 0.00 O ATOM 0 H GLU A 90 -8.730 -11.324 -36.769 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.307 -9.260 -35.513 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.465 -11.295 -34.574 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.263 -11.410 -36.311 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.099 -12.783 -35.781 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.725 -12.900 -34.148 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.799 -10.252 -33.831 1.00 0.00 N ATOM 1391 CA ASP A 91 -7.028 -10.161 -32.561 1.00 0.00 C ATOM 1392 C ASP A 91 -6.651 -8.706 -32.196 1.00 0.00 C ATOM 1393 O ASP A 91 -6.004 -8.486 -31.164 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.742 -11.064 -32.645 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.856 -12.373 -31.854 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -6.900 -13.061 -31.966 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -4.910 -12.731 -31.107 1.00 0.00 O ATOM 0 H ASP A 91 -7.224 -10.507 -34.634 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.675 -10.525 -31.763 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.540 -11.298 -33.690 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.887 -10.499 -32.274 1.00 0.00 H new ATOM 1402 N THR A 92 -7.012 -7.738 -33.064 1.00 0.00 N ATOM 1403 CA THR A 92 -6.804 -6.299 -32.808 1.00 0.00 C ATOM 1404 C THR A 92 -7.540 -5.876 -31.514 1.00 0.00 C ATOM 1405 O THR A 92 -8.780 -5.776 -31.495 1.00 0.00 O ATOM 1406 CB THR A 92 -7.293 -5.438 -34.020 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.598 -5.837 -35.213 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.075 -3.930 -33.790 1.00 0.00 C ATOM 0 H THR A 92 -7.456 -7.933 -33.962 1.00 0.00 H new ATOM 0 HA THR A 92 -5.736 -6.125 -32.680 1.00 0.00 H new ATOM 0 HB THR A 92 -8.364 -5.610 -34.127 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.026 -6.634 -35.590 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.430 -3.375 -34.658 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.628 -3.613 -32.906 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.013 -3.734 -33.643 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.758 -5.655 -30.441 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.291 -5.416 -29.089 1.00 0.00 C ATOM 1418 C ALA A 93 -6.207 -4.857 -28.163 1.00 0.00 C ATOM 1419 O ALA A 93 -5.019 -5.134 -28.353 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.898 -6.712 -28.505 1.00 0.00 C ATOM 0 H ALA A 93 -5.739 -5.637 -30.488 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.084 -4.672 -29.165 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.286 -6.514 -27.506 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.709 -7.056 -29.148 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.128 -7.481 -28.449 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.619 -4.036 -27.177 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.713 -3.558 -26.126 1.00 0.00 C ATOM 1428 C VAL A 94 -5.537 -4.656 -25.063 1.00 0.00 C ATOM 1429 O VAL A 94 -6.494 -5.053 -24.388 1.00 0.00 O ATOM 1430 CB VAL A 94 -6.172 -2.173 -25.493 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -7.609 -2.206 -24.920 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -5.158 -1.679 -24.429 1.00 0.00 C ATOM 0 H VAL A 94 -7.576 -3.692 -27.091 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.745 -3.352 -26.582 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.189 -1.457 -26.315 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.857 -1.230 -24.504 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.312 -2.451 -25.716 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.671 -2.961 -24.136 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.499 -0.730 -24.014 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.080 -2.417 -23.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.181 -1.542 -24.893 1.00 0.00 H new ATOM 1442 N TYR A 95 -4.305 -5.181 -24.976 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.914 -6.185 -23.984 1.00 0.00 C ATOM 1444 C TYR A 95 -3.496 -5.471 -22.702 1.00 0.00 C ATOM 1445 O TYR A 95 -2.945 -4.380 -22.760 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.755 -7.077 -24.526 1.00 0.00 C ATOM 1447 CG TYR A 95 -3.195 -8.131 -25.561 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.092 -9.502 -25.293 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.730 -7.759 -26.798 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.497 -10.446 -26.216 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -4.135 -8.706 -27.721 1.00 0.00 C ATOM 1452 CZ TYR A 95 -4.018 -10.044 -27.427 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.433 -10.987 -28.346 1.00 0.00 O ATOM 0 H TYR A 95 -3.545 -4.914 -25.602 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.760 -6.841 -23.776 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.999 -6.435 -24.978 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.281 -7.585 -23.687 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.688 -9.827 -24.346 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.829 -6.711 -27.038 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.406 -11.498 -25.989 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.543 -8.395 -28.671 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.965 -11.832 -28.181 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.795 -6.088 -21.556 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.520 -5.530 -20.227 1.00 0.00 C ATOM 1465 C ASN A 96 -2.967 -6.645 -19.340 1.00 0.00 C ATOM 1466 O ASN A 96 -3.576 -7.718 -19.232 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.815 -4.926 -19.613 1.00 0.00 C ATOM 1468 CG ASN A 96 -4.604 -4.304 -18.221 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -4.762 -4.968 -17.194 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -4.240 -3.030 -18.181 1.00 0.00 N ATOM 0 H ASN A 96 -4.242 -7.004 -21.524 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.787 -4.727 -20.304 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.206 -4.164 -20.287 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.572 -5.707 -19.542 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.083 -2.573 -17.283 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.117 -2.507 -19.048 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.815 -6.386 -18.718 1.00 0.00 N ATOM 1478 CA CYS A 97 -1.200 -7.307 -17.762 1.00 0.00 C ATOM 1479 C CYS A 97 -1.807 -7.080 -16.375 1.00 0.00 C ATOM 1480 O CYS A 97 -2.076 -5.945 -15.984 1.00 0.00 O ATOM 1481 CB CYS A 97 0.331 -7.102 -17.709 1.00 0.00 C ATOM 1482 SG CYS A 97 1.178 -8.088 -16.456 1.00 0.00 S ATOM 0 H CYS A 97 -1.281 -5.529 -18.864 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.395 -8.330 -18.084 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.751 -7.342 -18.686 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.537 -6.048 -17.524 1.00 0.00 H new ATOM 0 HG CYS A 97 0.351 -8.959 -15.957 1.00 0.00 H new ATOM 1488 N ALA A 98 -2.047 -8.176 -15.665 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.533 -8.179 -14.281 1.00 0.00 C ATOM 1490 C ALA A 98 -1.660 -9.137 -13.464 1.00 0.00 C ATOM 1491 O ALA A 98 -1.018 -10.025 -14.035 1.00 0.00 O ATOM 1492 CB ALA A 98 -4.015 -8.595 -14.241 1.00 0.00 C ATOM 0 H ALA A 98 -1.907 -9.114 -16.041 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.464 -7.180 -13.851 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.365 -8.594 -13.209 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.607 -7.891 -14.826 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.124 -9.595 -14.660 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.620 -8.942 -12.139 1.00 0.00 N ATOM 1499 CA ALA A 99 -0.819 -9.781 -11.224 1.00 0.00 C ATOM 1500 C ALA A 99 -1.535 -9.944 -9.877 1.00 0.00 C ATOM 1501 O ALA A 99 -2.479 -9.206 -9.568 1.00 0.00 O ATOM 1502 CB ALA A 99 0.592 -9.188 -11.040 1.00 0.00 C ATOM 0 H ALA A 99 -2.139 -8.201 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.710 -10.771 -11.666 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.167 -9.820 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.095 -9.139 -12.006 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.513 -8.185 -10.621 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.084 -10.932 -9.096 1.00 0.00 N ATOM 1509 CA GLY A 100 -1.662 -11.242 -7.791 1.00 0.00 C ATOM 1510 C GLY A 100 -1.869 -12.734 -7.619 1.00 0.00 C ATOM 1511 O GLY A 100 -1.176 -13.541 -8.244 1.00 0.00 O ATOM 0 H GLY A 100 -0.306 -11.538 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.006 -10.871 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.616 -10.726 -7.682 1.00 0.00 H new ATOM 1664 N ASP A 111 -4.683 -8.300 -7.778 1.00 0.00 N ATOM 1665 CA ASP A 111 -4.045 -7.492 -6.712 1.00 0.00 C ATOM 1666 C ASP A 111 -3.264 -6.301 -7.287 1.00 0.00 C ATOM 1667 O ASP A 111 -3.164 -5.249 -6.647 1.00 0.00 O ATOM 1668 CB ASP A 111 -3.107 -8.378 -5.851 1.00 0.00 C ATOM 1669 CG ASP A 111 -3.873 -9.448 -5.058 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -4.139 -10.542 -5.604 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -4.231 -9.194 -3.884 1.00 0.00 O ATOM 0 HA ASP A 111 -4.842 -7.094 -6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.376 -8.863 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.550 -7.746 -5.159 1.00 0.00 H new ATOM 1676 N TYR A 112 -2.728 -6.477 -8.504 1.00 0.00 N ATOM 1677 CA TYR A 112 -1.904 -5.468 -9.191 1.00 0.00 C ATOM 1678 C TYR A 112 -2.405 -5.277 -10.627 1.00 0.00 C ATOM 1679 O TYR A 112 -2.928 -6.219 -11.244 1.00 0.00 O ATOM 1680 CB TYR A 112 -0.419 -5.895 -9.173 1.00 0.00 C ATOM 1681 CG TYR A 112 0.108 -6.168 -7.761 1.00 0.00 C ATOM 1682 CD1 TYR A 112 0.336 -5.120 -6.862 1.00 0.00 C ATOM 1683 CD2 TYR A 112 0.366 -7.468 -7.319 1.00 0.00 C ATOM 1684 CE1 TYR A 112 0.799 -5.359 -5.585 1.00 0.00 C ATOM 1685 CE2 TYR A 112 0.829 -7.708 -6.042 1.00 0.00 C ATOM 1686 CZ TYR A 112 1.043 -6.652 -5.177 1.00 0.00 C ATOM 1687 OH TYR A 112 1.503 -6.888 -3.898 1.00 0.00 O ATOM 0 H TYR A 112 -2.855 -7.332 -9.045 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.989 -4.515 -8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.297 -6.792 -9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 112 0.184 -5.113 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.146 -4.104 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.200 -8.299 -7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.970 -4.536 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.024 -8.720 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 112 1.669 -7.847 -3.782 1.00 0.00 H new ATOM 1697 N TRP A 113 -2.211 -4.060 -11.150 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.776 -3.615 -12.432 1.00 0.00 C ATOM 1699 C TRP A 113 -1.656 -3.126 -13.371 1.00 0.00 C ATOM 1700 O TRP A 113 -0.712 -2.460 -12.929 1.00 0.00 O ATOM 1701 CB TRP A 113 -3.813 -2.487 -12.155 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.609 -2.057 -13.366 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -4.458 -0.911 -14.099 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.689 -2.777 -13.972 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.360 -0.888 -15.130 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.134 -2.017 -15.067 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.323 -3.992 -13.691 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.180 -2.431 -15.884 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.362 -4.400 -14.500 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.783 -3.619 -15.583 1.00 0.00 C ATOM 0 H TRP A 113 -1.649 -3.345 -10.688 1.00 0.00 H new ATOM 0 HA TRP A 113 -3.277 -4.446 -12.928 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.504 -2.827 -11.384 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.289 -1.620 -11.753 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.733 -0.137 -13.894 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.442 -0.151 -15.830 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.005 -4.599 -12.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.504 -1.836 -16.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.859 -5.337 -14.295 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.604 -3.964 -16.195 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.769 -3.480 -14.664 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.822 -3.037 -15.698 1.00 0.00 C ATOM 1723 C GLY A 114 -1.349 -1.859 -16.504 1.00 0.00 C ATOM 1724 O GLY A 114 -2.534 -1.531 -16.429 1.00 0.00 O ATOM 0 H GLY A 114 -2.516 -4.078 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.121 -2.758 -15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.609 -3.868 -16.371 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.463 -1.223 -17.283 1.00 0.00 N ATOM 1729 CA GLN A 115 -0.812 -0.034 -18.085 1.00 0.00 C ATOM 1730 C GLN A 115 -1.724 -0.408 -19.272 1.00 0.00 C ATOM 1731 O GLN A 115 -2.753 0.235 -19.511 1.00 0.00 O ATOM 1732 CB GLN A 115 0.481 0.644 -18.592 1.00 0.00 C ATOM 1733 CG GLN A 115 1.435 1.098 -17.469 1.00 0.00 C ATOM 1734 CD GLN A 115 2.749 1.690 -17.976 1.00 0.00 C ATOM 1735 OE1 GLN A 115 3.242 1.321 -19.044 1.00 0.00 O ATOM 1736 NE2 GLN A 115 3.343 2.580 -17.195 1.00 0.00 N ATOM 0 H GLN A 115 0.510 -1.513 -17.377 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.363 0.662 -17.452 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.010 -0.050 -19.245 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.211 1.509 -19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.928 1.840 -16.852 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.656 0.246 -16.826 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.905 2.862 -16.318 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.238 2.984 -17.471 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.315 -1.455 -20.006 1.00 0.00 N ATOM 1746 CA GLY A 116 -2.051 -1.942 -21.169 1.00 0.00 C ATOM 1747 C GLY A 116 -1.616 -1.271 -22.473 1.00 0.00 C ATOM 1748 O GLY A 116 -1.548 -0.031 -22.538 1.00 0.00 O ATOM 0 H GLY A 116 -0.465 -1.983 -19.805 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.911 -3.019 -21.256 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -3.117 -1.771 -21.016 1.00 0.00 H new ATOM 1752 N THR A 117 -1.321 -2.082 -23.511 1.00 0.00 N ATOM 1753 CA THR A 117 -0.901 -1.588 -24.837 1.00 0.00 C ATOM 1754 C THR A 117 -1.817 -2.165 -25.953 1.00 0.00 C ATOM 1755 O THR A 117 -2.203 -3.343 -25.912 1.00 0.00 O ATOM 1756 CB THR A 117 0.609 -1.932 -25.103 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.082 -1.252 -26.278 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.859 -3.445 -25.250 1.00 0.00 C ATOM 0 H THR A 117 -1.368 -3.099 -23.452 1.00 0.00 H new ATOM 0 HA THR A 117 -1.003 -0.503 -24.850 1.00 0.00 H new ATOM 0 HB THR A 117 1.162 -1.590 -24.228 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.992 -0.924 -26.122 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.919 -3.623 -25.432 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.558 -3.954 -24.334 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.277 -3.830 -26.087 1.00 0.00 H new ATOM 1766 N GLN A 118 -2.193 -1.309 -26.926 1.00 0.00 N ATOM 1767 CA GLN A 118 -3.062 -1.691 -28.059 1.00 0.00 C ATOM 1768 C GLN A 118 -2.245 -2.394 -29.149 1.00 0.00 C ATOM 1769 O GLN A 118 -1.287 -1.818 -29.680 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.763 -0.435 -28.645 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.569 -0.666 -29.954 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.806 -1.561 -29.799 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.452 -1.573 -28.757 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -6.146 -2.317 -30.835 1.00 0.00 N ATOM 0 H GLN A 118 -1.902 -0.332 -26.948 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.822 -2.382 -27.694 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.438 -0.032 -27.890 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.006 0.326 -28.835 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.885 0.301 -30.345 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.907 -1.110 -30.698 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.592 -2.289 -31.691 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.962 -2.927 -30.776 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.625 -3.640 -29.470 1.00 0.00 N ATOM 1784 CA VAL A 119 -2.059 -4.371 -30.612 1.00 0.00 C ATOM 1785 C VAL A 119 -2.984 -4.173 -31.824 1.00 0.00 C ATOM 1786 O VAL A 119 -4.221 -4.197 -31.693 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.835 -5.910 -30.300 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -1.204 -6.093 -28.900 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -3.120 -6.772 -30.460 1.00 0.00 C ATOM 0 H VAL A 119 -3.328 -4.165 -28.949 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.070 -3.969 -30.829 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.140 -6.280 -31.053 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.058 -7.155 -28.703 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.242 -5.581 -28.865 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.867 -5.672 -28.144 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.891 -7.813 -30.231 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.888 -6.410 -29.776 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.483 -6.698 -31.485 1.00 0.00 H new ATOM 1799 N THR A 120 -2.385 -3.942 -32.991 1.00 0.00 N ATOM 1800 CA THR A 120 -3.112 -3.744 -34.243 1.00 0.00 C ATOM 1801 C THR A 120 -2.616 -4.768 -35.264 1.00 0.00 C ATOM 1802 O THR A 120 -1.517 -4.627 -35.809 1.00 0.00 O ATOM 1803 CB THR A 120 -2.903 -2.289 -34.778 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.235 -1.345 -33.746 1.00 0.00 O ATOM 1805 CG2 THR A 120 -3.752 -1.999 -36.033 1.00 0.00 C ATOM 0 H THR A 120 -1.372 -3.887 -33.095 1.00 0.00 H new ATOM 0 HA THR A 120 -4.179 -3.883 -34.072 1.00 0.00 H new ATOM 0 HB THR A 120 -1.855 -2.191 -35.060 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.102 -0.434 -34.081 1.00 0.00 H new ATOM 0 HG21 THR A 120 -3.572 -0.977 -36.366 1.00 0.00 H new ATOM 0 HG22 THR A 120 -3.477 -2.693 -36.827 1.00 0.00 H new ATOM 0 HG23 THR A 120 -4.808 -2.122 -35.794 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.418 -5.814 -35.498 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.125 -6.826 -36.514 1.00 0.00 C ATOM 1815 C VAL A 121 -3.952 -6.521 -37.771 1.00 0.00 C ATOM 1816 O VAL A 121 -5.175 -6.707 -37.805 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.336 -8.297 -35.998 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -4.687 -8.475 -35.286 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.147 -9.325 -37.151 1.00 0.00 C ATOM 0 H VAL A 121 -4.286 -5.980 -34.988 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.065 -6.771 -36.761 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.567 -8.493 -35.251 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.787 -9.506 -34.948 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.737 -7.805 -34.428 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.496 -8.240 -35.977 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.298 -10.334 -36.767 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.872 -9.124 -37.940 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.138 -9.238 -37.554 1.00 0.00 H new ATOM 1829 N SER A 122 -3.245 -5.991 -38.771 1.00 0.00 N ATOM 1830 CA SER A 122 -3.785 -5.598 -40.068 1.00 0.00 C ATOM 1831 C SER A 122 -4.438 -6.784 -40.798 1.00 0.00 C ATOM 1832 O SER A 122 -3.872 -7.885 -40.848 1.00 0.00 O ATOM 1833 CB SER A 122 -2.652 -4.995 -40.939 1.00 0.00 C ATOM 1834 OG SER A 122 -3.140 -4.550 -42.194 1.00 0.00 O ATOM 0 H SER A 122 -2.243 -5.818 -38.694 1.00 0.00 H new ATOM 0 HA SER A 122 -4.560 -4.851 -39.899 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.191 -4.161 -40.411 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.874 -5.743 -41.095 1.00 0.00 H new ATOM 0 HG SER A 122 -2.402 -4.174 -42.717 1.00 0.00 H new ATOM 1840 N SER A 123 -5.634 -6.534 -41.352 1.00 0.00 N ATOM 1841 CA SER A 123 -6.362 -7.499 -42.173 1.00 0.00 C ATOM 1842 C SER A 123 -5.690 -7.607 -43.550 1.00 0.00 C ATOM 1843 O SER A 123 -5.913 -6.758 -44.427 1.00 0.00 O ATOM 1844 CB SER A 123 -7.851 -7.074 -42.305 1.00 0.00 C ATOM 1845 OG SER A 123 -8.448 -6.893 -41.023 1.00 0.00 O ATOM 0 H SER A 123 -6.123 -5.646 -41.238 1.00 0.00 H new ATOM 0 HA SER A 123 -6.337 -8.479 -41.697 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.919 -6.148 -42.875 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.401 -7.832 -42.862 1.00 0.00 H new ATOM 0 HG SER A 123 -9.384 -6.624 -41.133 1.00 0.00 H new