USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 30 CYS SG : rot 129:sc= -0.121 USER MOD Set 1.2: A 79 CYS SG : rot 96:sc= 1.61 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.85) USER MOD Single : A 18 GLN : amide:sc= -0.581 K(o=-0.58,f=-3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.79) USER MOD Single : A 34 SER OG : rot 40:sc= 1.22 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= -0.0775 USER MOD Single : A 57 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.98) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 116:sc= -1.12 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 71 MET CE :methyl 147:sc= -0.435 (180deg=-2.12!) USER MOD Single : A 74 THR OG1 : rot 81:sc= -0.0373 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -81:sc= -0.482! USER MOD Single : A 83 GLN : amide:sc=-0.000992 X(o=-0.00099,f=0) USER MOD Single : A 86 THR OG1 : rot 52:sc= -0.0472 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 153:sc= -0.334 (180deg=-1.22!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.852 16.553 4.508 1.00 0.00 N ATOM 81 CA ALA A 9 -13.135 16.426 3.246 1.00 0.00 C ATOM 82 C ALA A 9 -13.707 15.293 2.401 1.00 0.00 C ATOM 83 O ALA A 9 -13.964 14.199 2.905 1.00 0.00 O ATOM 84 CB ALA A 9 -11.652 16.198 3.502 1.00 0.00 C ATOM 0 HA ALA A 9 -13.259 17.356 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.129 16.105 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.245 17.042 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.519 15.284 4.080 1.00 0.00 H new ATOM 90 N ARG A 10 -13.906 15.562 1.115 1.00 0.00 N ATOM 91 CA ARG A 10 -14.451 14.565 0.201 1.00 0.00 C ATOM 92 C ARG A 10 -13.417 14.169 -0.849 1.00 0.00 C ATOM 93 O ARG A 10 -12.753 15.024 -1.435 1.00 0.00 O ATOM 94 CB ARG A 10 -15.709 15.103 -0.483 1.00 0.00 C ATOM 95 CG ARG A 10 -15.511 16.456 -1.145 1.00 0.00 C ATOM 96 CD ARG A 10 -16.528 16.690 -2.251 1.00 0.00 C ATOM 97 NE ARG A 10 -17.741 17.332 -1.752 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.875 17.397 -2.442 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.950 16.862 -3.652 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.937 17.998 -1.920 1.00 0.00 N ATOM 0 H ARG A 10 -13.698 16.462 0.682 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.712 13.680 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.039 14.385 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.508 15.182 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.598 17.244 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.504 16.517 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.082 17.311 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.786 15.737 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.717 17.753 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.136 16.399 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.822 16.913 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.883 18.410 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.807 18.047 -2.450 1.00 0.00 H new ATOM 114 N PHE A 11 -13.288 12.867 -1.082 1.00 0.00 N ATOM 115 CA PHE A 11 -12.334 12.357 -2.061 1.00 0.00 C ATOM 116 C PHE A 11 -12.660 12.875 -3.459 1.00 0.00 C ATOM 117 O PHE A 11 -13.460 12.281 -4.181 1.00 0.00 O ATOM 118 CB PHE A 11 -12.338 10.827 -2.058 1.00 0.00 C ATOM 119 CG PHE A 11 -11.656 10.227 -0.862 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.274 10.235 -0.761 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.396 9.657 0.161 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.643 9.683 0.339 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.771 9.105 1.263 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.393 9.119 1.352 1.00 0.00 C ATOM 0 H PHE A 11 -13.831 12.146 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.341 12.712 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.369 10.474 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.848 10.469 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.683 10.677 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.474 9.644 0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.565 9.693 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.359 8.663 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.902 8.689 2.213 1.00 0.00 H new ATOM 134 N ILE A 12 -12.034 13.986 -3.831 1.00 0.00 N ATOM 135 CA ILE A 12 -12.256 14.584 -5.142 1.00 0.00 C ATOM 136 C ILE A 12 -11.865 13.622 -6.259 1.00 0.00 C ATOM 137 O ILE A 12 -12.406 13.685 -7.362 1.00 0.00 O ATOM 138 CB ILE A 12 -11.461 15.893 -5.305 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.965 15.634 -5.115 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.953 16.939 -4.316 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.098 16.828 -5.448 1.00 0.00 C ATOM 0 H ILE A 12 -11.370 14.490 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.321 14.804 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.619 16.273 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.784 15.341 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.668 14.793 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.381 17.858 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.009 17.141 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.822 16.569 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.050 16.572 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.250 17.109 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.368 17.665 -4.804 1.00 0.00 H new ATOM 153 N GLU A 13 -10.923 12.732 -5.963 1.00 0.00 N ATOM 154 CA GLU A 13 -10.461 11.756 -6.943 1.00 0.00 C ATOM 155 C GLU A 13 -10.476 10.347 -6.356 1.00 0.00 C ATOM 156 O GLU A 13 -10.073 10.135 -5.212 1.00 0.00 O ATOM 157 CB GLU A 13 -9.050 12.107 -7.419 1.00 0.00 C ATOM 158 CG GLU A 13 -8.989 13.368 -8.264 1.00 0.00 C ATOM 159 CD GLU A 13 -7.657 13.532 -8.971 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.634 13.072 -8.425 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.640 14.122 -10.072 1.00 0.00 O ATOM 0 H GLU A 13 -10.465 12.667 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.141 11.784 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.403 12.230 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.653 11.273 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.789 13.344 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.168 14.236 -7.629 1.00 0.00 H new ATOM 168 N ASP A 14 -10.944 9.388 -7.147 1.00 0.00 N ATOM 169 CA ASP A 14 -11.012 7.999 -6.708 1.00 0.00 C ATOM 170 C ASP A 14 -9.881 7.180 -7.321 1.00 0.00 C ATOM 171 O ASP A 14 -9.695 7.171 -8.538 1.00 0.00 O ATOM 172 CB ASP A 14 -12.363 7.389 -7.084 1.00 0.00 C ATOM 173 CG ASP A 14 -12.904 7.939 -8.389 1.00 0.00 C ATOM 174 OD1 ASP A 14 -12.453 7.478 -9.458 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.778 8.830 -8.341 1.00 0.00 O ATOM 0 H ASP A 14 -11.282 9.547 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.903 7.980 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.260 6.307 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.080 7.583 -6.286 1.00 0.00 H new ATOM 180 N VAL A 15 -9.127 6.492 -6.469 1.00 0.00 N ATOM 181 CA VAL A 15 -8.014 5.669 -6.927 1.00 0.00 C ATOM 182 C VAL A 15 -8.430 4.780 -8.094 1.00 0.00 C ATOM 183 O VAL A 15 -9.619 4.618 -8.372 1.00 0.00 O ATOM 184 CB VAL A 15 -7.467 4.783 -5.791 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.100 5.630 -4.582 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.481 3.713 -5.415 1.00 0.00 C ATOM 0 H VAL A 15 -9.267 6.488 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.230 6.352 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.563 4.287 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.716 4.987 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.336 6.355 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.985 6.156 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.078 3.096 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.404 4.187 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.689 3.087 -6.283 1.00 0.00 H new ATOM 196 N LYS A 16 -7.444 4.206 -8.774 1.00 0.00 N ATOM 197 CA LYS A 16 -7.706 3.331 -9.911 1.00 0.00 C ATOM 198 C LYS A 16 -7.449 1.873 -9.546 1.00 0.00 C ATOM 199 O LYS A 16 -7.139 1.556 -8.399 1.00 0.00 O ATOM 200 CB LYS A 16 -6.833 3.733 -11.101 1.00 0.00 C ATOM 201 CG LYS A 16 -6.703 5.235 -11.282 1.00 0.00 C ATOM 202 CD LYS A 16 -5.490 5.782 -10.548 1.00 0.00 C ATOM 203 CE LYS A 16 -5.726 7.204 -10.063 1.00 0.00 C ATOM 204 NZ LYS A 16 -5.462 8.206 -11.131 1.00 0.00 N ATOM 0 H LYS A 16 -6.455 4.331 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.755 3.438 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.839 3.304 -10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.252 3.301 -12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.623 5.469 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.604 5.726 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.258 5.140 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.624 5.761 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.755 7.304 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.082 7.407 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.634 9.162 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.473 8.129 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.094 8.028 -11.938 1.00 0.00 H new ATOM 218 N ASN A 17 -7.577 0.990 -10.531 1.00 0.00 N ATOM 219 CA ASN A 17 -7.357 -0.436 -10.313 1.00 0.00 C ATOM 220 C ASN A 17 -5.881 -0.725 -10.055 1.00 0.00 C ATOM 221 O ASN A 17 -5.006 -0.177 -10.724 1.00 0.00 O ATOM 222 CB ASN A 17 -7.841 -1.238 -11.523 1.00 0.00 C ATOM 223 CG ASN A 17 -7.123 -0.849 -12.800 1.00 0.00 C ATOM 224 OD1 ASN A 17 -5.985 -1.254 -13.034 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.788 -0.058 -13.635 1.00 0.00 N ATOM 0 H ASN A 17 -7.832 1.236 -11.488 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.927 -0.737 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.691 -2.301 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.913 -1.086 -11.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.356 0.237 -14.511 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.730 0.254 -13.400 1.00 0.00 H new ATOM 232 N GLN A 18 -5.615 -1.589 -9.081 1.00 0.00 N ATOM 233 CA GLN A 18 -4.246 -1.951 -8.735 1.00 0.00 C ATOM 234 C GLN A 18 -3.871 -3.302 -9.336 1.00 0.00 C ATOM 235 O GLN A 18 -4.612 -4.276 -9.206 1.00 0.00 O ATOM 236 CB GLN A 18 -4.075 -1.991 -7.215 1.00 0.00 C ATOM 237 CG GLN A 18 -2.650 -1.728 -6.756 1.00 0.00 C ATOM 238 CD GLN A 18 -2.110 -0.403 -7.258 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.935 -0.292 -7.609 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.968 0.610 -7.296 1.00 0.00 N ATOM 0 H GLN A 18 -6.329 -2.051 -8.518 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.581 -1.193 -9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.736 -1.251 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.392 -2.967 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.615 -1.741 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.005 -2.534 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.933 0.473 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.662 1.525 -7.626 1.00 0.00 H new ATOM 249 N GLU A 19 -2.717 -3.352 -9.993 1.00 0.00 N ATOM 250 CA GLU A 19 -2.245 -4.584 -10.615 1.00 0.00 C ATOM 251 C GLU A 19 -0.734 -4.727 -10.461 1.00 0.00 C ATOM 252 O GLU A 19 0.021 -3.800 -10.754 1.00 0.00 O ATOM 253 CB GLU A 19 -2.623 -4.610 -12.097 1.00 0.00 C ATOM 254 CG GLU A 19 -2.196 -5.881 -12.812 1.00 0.00 C ATOM 255 CD GLU A 19 -2.510 -5.850 -14.295 1.00 0.00 C ATOM 256 OE1 GLU A 19 -1.740 -5.225 -15.053 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.528 -6.452 -14.698 1.00 0.00 O ATOM 0 H GLU A 19 -2.092 -2.554 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.725 -5.423 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.703 -4.496 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.168 -3.753 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.125 -6.028 -12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.697 -6.735 -12.356 1.00 0.00 H new ATOM 264 N ALA A 20 -0.300 -5.895 -10.000 1.00 0.00 N ATOM 265 CA ALA A 20 1.121 -6.161 -9.808 1.00 0.00 C ATOM 266 C ALA A 20 1.387 -7.657 -9.682 1.00 0.00 C ATOM 267 O ALA A 20 0.577 -8.396 -9.124 1.00 0.00 O ATOM 268 CB ALA A 20 1.634 -5.426 -8.579 1.00 0.00 C ATOM 0 H ALA A 20 -0.912 -6.673 -9.752 1.00 0.00 H new ATOM 0 HA ALA A 20 1.656 -5.796 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.696 -5.634 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.487 -4.354 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.087 -5.763 -7.699 1.00 0.00 H new ATOM 274 N ARG A 21 2.527 -8.096 -10.206 1.00 0.00 N ATOM 275 CA ARG A 21 2.899 -9.505 -10.153 1.00 0.00 C ATOM 276 C ARG A 21 3.313 -9.906 -8.740 1.00 0.00 C ATOM 277 O ARG A 21 3.921 -9.119 -8.015 1.00 0.00 O ATOM 278 CB ARG A 21 4.041 -9.790 -11.130 1.00 0.00 C ATOM 279 CG ARG A 21 3.574 -10.050 -12.553 1.00 0.00 C ATOM 280 CD ARG A 21 4.522 -10.984 -13.289 1.00 0.00 C ATOM 281 NE ARG A 21 4.484 -10.777 -14.734 1.00 0.00 N ATOM 282 CZ ARG A 21 5.154 -11.526 -15.602 1.00 0.00 C ATOM 283 NH1 ARG A 21 5.909 -12.528 -15.173 1.00 0.00 N ATOM 284 NH2 ARG A 21 5.068 -11.275 -16.902 1.00 0.00 N ATOM 0 H ARG A 21 3.208 -7.497 -10.672 1.00 0.00 H new ATOM 0 HA ARG A 21 2.028 -10.095 -10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.727 -8.943 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.603 -10.655 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.574 -10.484 -12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.501 -9.105 -13.092 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.538 -10.827 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.259 -12.018 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 21 3.911 -10.015 -15.097 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.976 -12.725 -14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.423 -13.102 -15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.487 -10.506 -17.236 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.583 -11.851 -17.568 1.00 0.00 H new ATOM 298 N GLU A 22 2.977 -11.133 -8.356 1.00 0.00 N ATOM 299 CA GLU A 22 3.313 -11.637 -7.030 1.00 0.00 C ATOM 300 C GLU A 22 4.719 -11.204 -6.623 1.00 0.00 C ATOM 301 O GLU A 22 5.642 -11.210 -7.437 1.00 0.00 O ATOM 302 CB GLU A 22 3.208 -13.163 -6.998 1.00 0.00 C ATOM 303 CG GLU A 22 1.830 -13.671 -6.608 1.00 0.00 C ATOM 304 CD GLU A 22 1.724 -15.182 -6.676 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.540 -15.803 -7.389 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.824 -15.743 -6.016 1.00 0.00 O ATOM 0 H GLU A 22 2.473 -11.796 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 22 2.602 -11.216 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.466 -13.557 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.943 -13.555 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.598 -13.340 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.084 -13.228 -7.268 1.00 0.00 H new ATOM 313 N GLY A 23 4.873 -10.828 -5.357 1.00 0.00 N ATOM 314 CA GLY A 23 6.168 -10.396 -4.864 1.00 0.00 C ATOM 315 C GLY A 23 6.458 -8.945 -5.190 1.00 0.00 C ATOM 316 O GLY A 23 7.617 -8.543 -5.286 1.00 0.00 O ATOM 0 H GLY A 23 4.124 -10.815 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.208 -10.537 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.946 -11.025 -5.297 1.00 0.00 H new ATOM 320 N ALA A 24 5.402 -8.156 -5.363 1.00 0.00 N ATOM 321 CA ALA A 24 5.550 -6.741 -5.680 1.00 0.00 C ATOM 322 C ALA A 24 4.952 -5.867 -4.583 1.00 0.00 C ATOM 323 O ALA A 24 4.478 -6.370 -3.563 1.00 0.00 O ATOM 324 CB ALA A 24 4.898 -6.430 -7.019 1.00 0.00 C ATOM 0 H ALA A 24 4.435 -8.473 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 24 6.615 -6.518 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.016 -5.370 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.373 -7.022 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.837 -6.675 -6.973 1.00 0.00 H new ATOM 330 N THR A 25 4.978 -4.556 -4.797 1.00 0.00 N ATOM 331 CA THR A 25 4.441 -3.612 -3.825 1.00 0.00 C ATOM 332 C THR A 25 3.414 -2.686 -4.468 1.00 0.00 C ATOM 333 O THR A 25 3.772 -1.729 -5.154 1.00 0.00 O ATOM 334 CB THR A 25 5.557 -2.761 -3.191 1.00 0.00 C ATOM 335 OG1 THR A 25 6.580 -3.611 -2.661 1.00 0.00 O ATOM 336 CG2 THR A 25 5.002 -1.877 -2.085 1.00 0.00 C ATOM 0 H THR A 25 5.365 -4.123 -5.635 1.00 0.00 H new ATOM 0 HA THR A 25 3.958 -4.202 -3.046 1.00 0.00 H new ATOM 0 HB THR A 25 5.981 -2.122 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.287 -3.062 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.809 -1.286 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.244 -1.211 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.554 -2.500 -1.311 1.00 0.00 H new ATOM 344 N ALA A 26 2.138 -2.976 -4.240 1.00 0.00 N ATOM 345 CA ALA A 26 1.059 -2.167 -4.795 1.00 0.00 C ATOM 346 C ALA A 26 1.193 -0.709 -4.371 1.00 0.00 C ATOM 347 O ALA A 26 1.882 -0.395 -3.400 1.00 0.00 O ATOM 348 CB ALA A 26 -0.291 -2.722 -4.367 1.00 0.00 C ATOM 0 H ALA A 26 1.825 -3.765 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 26 1.128 -2.210 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.087 -2.108 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.394 -3.746 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.361 -2.710 -3.279 1.00 0.00 H new ATOM 354 N VAL A 27 0.530 0.180 -5.105 1.00 0.00 N ATOM 355 CA VAL A 27 0.575 1.605 -4.803 1.00 0.00 C ATOM 356 C VAL A 27 -0.757 2.276 -5.121 1.00 0.00 C ATOM 357 O VAL A 27 -1.103 2.472 -6.287 1.00 0.00 O ATOM 358 CB VAL A 27 1.694 2.311 -5.592 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.826 3.761 -5.151 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.012 1.571 -5.424 1.00 0.00 C ATOM 0 H VAL A 27 -0.044 -0.062 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 27 0.780 1.696 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 27 1.431 2.301 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.621 4.243 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.885 4.282 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.066 3.798 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.791 2.083 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.284 1.547 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.907 0.551 -5.795 1.00 0.00 H new ATOM 370 N LEU A 28 -1.500 2.627 -4.078 1.00 0.00 N ATOM 371 CA LEU A 28 -2.795 3.277 -4.245 1.00 0.00 C ATOM 372 C LEU A 28 -2.702 4.766 -3.928 1.00 0.00 C ATOM 373 O LEU A 28 -2.403 5.151 -2.798 1.00 0.00 O ATOM 374 CB LEU A 28 -3.840 2.616 -3.344 1.00 0.00 C ATOM 375 CG LEU A 28 -4.310 1.225 -3.770 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.710 0.402 -2.556 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.469 1.331 -4.750 1.00 0.00 C ATOM 0 H LEU A 28 -1.228 2.472 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.099 3.164 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.430 2.546 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.710 3.271 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.483 0.720 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.042 -0.585 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.854 0.297 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.522 0.903 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.791 0.331 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.299 1.855 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.149 1.882 -5.634 1.00 0.00 H new ATOM 389 N GLN A 29 -2.961 5.598 -4.931 1.00 0.00 N ATOM 390 CA GLN A 29 -2.908 7.045 -4.758 1.00 0.00 C ATOM 391 C GLN A 29 -4.294 7.663 -4.912 1.00 0.00 C ATOM 392 O GLN A 29 -5.087 7.232 -5.750 1.00 0.00 O ATOM 393 CB GLN A 29 -1.944 7.666 -5.770 1.00 0.00 C ATOM 394 CG GLN A 29 -0.510 7.186 -5.618 1.00 0.00 C ATOM 395 CD GLN A 29 0.363 7.572 -6.796 1.00 0.00 C ATOM 396 OE1 GLN A 29 -0.051 8.340 -7.665 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.580 7.041 -6.831 1.00 0.00 N ATOM 0 H GLN A 29 -3.210 5.295 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.548 7.252 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.290 7.436 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.968 8.751 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.086 7.603 -4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.504 6.102 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.882 6.409 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.212 7.265 -7.599 1.00 0.00 H new ATOM 406 N CYS A 30 -4.579 8.673 -4.098 1.00 0.00 N ATOM 407 CA CYS A 30 -5.870 9.351 -4.143 1.00 0.00 C ATOM 408 C CYS A 30 -5.720 10.830 -3.804 1.00 0.00 C ATOM 409 O CYS A 30 -4.625 11.296 -3.490 1.00 0.00 O ATOM 410 CB CYS A 30 -6.850 8.689 -3.174 1.00 0.00 C ATOM 411 SG CYS A 30 -6.771 9.338 -1.488 1.00 0.00 S ATOM 0 H CYS A 30 -3.934 9.041 -3.399 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.261 9.268 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.863 8.817 -3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.652 7.617 -3.149 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.966 9.659 -1.090 1.00 0.00 H new ATOM 417 N GLU A 31 -6.828 11.562 -3.871 1.00 0.00 N ATOM 418 CA GLU A 31 -6.818 12.990 -3.574 1.00 0.00 C ATOM 419 C GLU A 31 -8.008 13.371 -2.699 1.00 0.00 C ATOM 420 O GLU A 31 -9.006 12.651 -2.639 1.00 0.00 O ATOM 421 CB GLU A 31 -6.842 13.804 -4.869 1.00 0.00 C ATOM 422 CG GLU A 31 -6.128 15.141 -4.761 1.00 0.00 C ATOM 423 CD GLU A 31 -5.544 15.600 -6.083 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.524 15.023 -6.513 1.00 0.00 O ATOM 425 OE2 GLU A 31 -6.109 16.536 -6.687 1.00 0.00 O ATOM 0 H GLU A 31 -7.743 11.190 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.901 13.215 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.381 13.219 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.878 13.977 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.827 15.893 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.330 15.064 -4.023 1.00 0.00 H new ATOM 432 N LEU A 32 -7.896 14.508 -2.021 1.00 0.00 N ATOM 433 CA LEU A 32 -8.963 14.986 -1.148 1.00 0.00 C ATOM 434 C LEU A 32 -9.344 16.423 -1.490 1.00 0.00 C ATOM 435 O LEU A 32 -8.526 17.187 -2.001 1.00 0.00 O ATOM 436 CB LEU A 32 -8.529 14.897 0.316 1.00 0.00 C ATOM 437 CG LEU A 32 -8.474 13.491 0.915 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.580 13.470 2.146 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.873 13.004 1.261 1.00 0.00 C ATOM 0 H LEU A 32 -7.078 15.116 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.836 14.352 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.542 15.349 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.213 15.499 0.914 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.050 12.816 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.553 12.462 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.571 13.776 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.975 14.158 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.815 12.002 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.325 13.680 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.484 12.980 0.358 1.00 0.00 H new ATOM 451 N ASN A 33 -10.590 16.784 -1.202 1.00 0.00 N ATOM 452 CA ASN A 33 -11.079 18.130 -1.478 1.00 0.00 C ATOM 453 C ASN A 33 -10.494 19.135 -0.490 1.00 0.00 C ATOM 454 O ASN A 33 -10.757 20.334 -0.579 1.00 0.00 O ATOM 455 CB ASN A 33 -12.607 18.164 -1.413 1.00 0.00 C ATOM 456 CG ASN A 33 -13.140 19.535 -1.044 1.00 0.00 C ATOM 457 OD1 ASN A 33 -13.306 20.400 -1.904 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.411 19.739 0.240 1.00 0.00 N ATOM 0 H ASN A 33 -11.279 16.164 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.759 18.407 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.016 17.866 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.953 17.434 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.772 20.642 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.258 18.993 0.918 1.00 0.00 H new ATOM 465 N SER A 34 -9.699 18.636 0.451 1.00 0.00 N ATOM 466 CA SER A 34 -9.079 19.489 1.458 1.00 0.00 C ATOM 467 C SER A 34 -8.113 18.689 2.328 1.00 0.00 C ATOM 468 O SER A 34 -8.295 17.490 2.535 1.00 0.00 O ATOM 469 CB SER A 34 -10.150 20.142 2.334 1.00 0.00 C ATOM 470 OG SER A 34 -10.513 21.416 1.830 1.00 0.00 O ATOM 0 H SER A 34 -9.469 17.646 0.537 1.00 0.00 H new ATOM 0 HA SER A 34 -8.517 20.268 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.030 19.500 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.779 20.243 3.354 1.00 0.00 H new ATOM 0 HG SER A 34 -10.560 21.379 0.852 1.00 0.00 H new ATOM 476 N ALA A 35 -7.086 19.363 2.834 1.00 0.00 N ATOM 477 CA ALA A 35 -6.093 18.717 3.683 1.00 0.00 C ATOM 478 C ALA A 35 -6.758 17.945 4.818 1.00 0.00 C ATOM 479 O ALA A 35 -7.383 18.535 5.699 1.00 0.00 O ATOM 480 CB ALA A 35 -5.124 19.749 4.241 1.00 0.00 C ATOM 0 H ALA A 35 -6.920 20.356 2.671 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.537 18.006 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.388 19.252 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.615 20.253 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.674 20.482 4.831 1.00 0.00 H new ATOM 486 N ALA A 36 -6.620 16.624 4.789 1.00 0.00 N ATOM 487 CA ALA A 36 -7.207 15.772 5.815 1.00 0.00 C ATOM 488 C ALA A 36 -6.661 14.351 5.728 1.00 0.00 C ATOM 489 O ALA A 36 -6.297 13.865 4.657 1.00 0.00 O ATOM 490 CB ALA A 36 -8.724 15.765 5.692 1.00 0.00 C ATOM 0 H ALA A 36 -6.107 16.120 4.066 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.934 16.179 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.149 15.124 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.104 16.780 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.008 15.386 4.710 1.00 0.00 H new ATOM 496 N PRO A 37 -6.602 13.667 6.880 1.00 0.00 N ATOM 497 CA PRO A 37 -6.101 12.292 6.959 1.00 0.00 C ATOM 498 C PRO A 37 -7.046 11.292 6.301 1.00 0.00 C ATOM 499 O PRO A 37 -8.126 11.656 5.837 1.00 0.00 O ATOM 500 CB PRO A 37 -6.013 12.032 8.465 1.00 0.00 C ATOM 501 CG PRO A 37 -7.010 12.960 9.069 1.00 0.00 C ATOM 502 CD PRO A 37 -7.019 14.184 8.194 1.00 0.00 C ATOM 0 HA PRO A 37 -5.152 12.174 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.245 10.994 8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.010 12.229 8.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.998 12.501 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.736 13.214 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.008 14.640 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.332 14.946 8.562 1.00 0.00 H new ATOM 510 N VAL A 38 -6.632 10.029 6.265 1.00 0.00 N ATOM 511 CA VAL A 38 -7.443 8.976 5.665 1.00 0.00 C ATOM 512 C VAL A 38 -7.082 7.610 6.239 1.00 0.00 C ATOM 513 O VAL A 38 -6.245 7.505 7.135 1.00 0.00 O ATOM 514 CB VAL A 38 -7.272 8.939 4.135 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.639 10.283 3.524 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.848 8.548 3.768 1.00 0.00 C ATOM 0 H VAL A 38 -5.740 9.710 6.644 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.482 9.203 5.902 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.947 8.186 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.512 10.238 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.677 10.518 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.991 11.058 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.745 8.527 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.152 9.276 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.626 7.561 4.173 1.00 0.00 H new ATOM 526 N GLU A 39 -7.718 6.567 5.715 1.00 0.00 N ATOM 527 CA GLU A 39 -7.464 5.208 6.176 1.00 0.00 C ATOM 528 C GLU A 39 -7.716 4.198 5.060 1.00 0.00 C ATOM 529 O GLU A 39 -8.793 4.172 4.465 1.00 0.00 O ATOM 530 CB GLU A 39 -8.346 4.881 7.383 1.00 0.00 C ATOM 531 CG GLU A 39 -7.976 3.579 8.073 1.00 0.00 C ATOM 532 CD GLU A 39 -6.952 3.773 9.175 1.00 0.00 C ATOM 533 OE1 GLU A 39 -6.858 4.899 9.706 1.00 0.00 O ATOM 534 OE2 GLU A 39 -6.246 2.798 9.506 1.00 0.00 O ATOM 0 H GLU A 39 -8.413 6.638 4.971 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.417 5.143 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.278 5.696 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.385 4.828 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.874 3.126 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.582 2.880 7.335 1.00 0.00 H new ATOM 541 N TRP A 40 -6.715 3.371 4.782 1.00 0.00 N ATOM 542 CA TRP A 40 -6.827 2.360 3.737 1.00 0.00 C ATOM 543 C TRP A 40 -7.366 1.050 4.301 1.00 0.00 C ATOM 544 O TRP A 40 -6.722 0.410 5.132 1.00 0.00 O ATOM 545 CB TRP A 40 -5.467 2.124 3.078 1.00 0.00 C ATOM 546 CG TRP A 40 -4.927 3.336 2.380 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.150 4.318 2.925 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.126 3.693 1.008 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.854 5.264 1.974 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.440 4.904 0.789 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.815 3.108 -0.058 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.426 5.538 -0.450 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.800 3.738 -1.287 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.109 4.943 -1.476 1.00 0.00 C ATOM 0 H TRP A 40 -5.817 3.380 5.265 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.528 2.726 2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.754 1.803 3.837 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.556 1.309 2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.817 4.347 3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.289 6.100 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.350 2.179 0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.895 6.467 -0.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.330 3.295 -2.117 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.116 5.411 -2.450 1.00 0.00 H new ATOM 565 N ARG A 41 -8.551 0.658 3.845 1.00 0.00 N ATOM 566 CA ARG A 41 -9.176 -0.576 4.307 1.00 0.00 C ATOM 567 C ARG A 41 -9.004 -1.691 3.279 1.00 0.00 C ATOM 568 O ARG A 41 -8.308 -1.524 2.277 1.00 0.00 O ATOM 569 CB ARG A 41 -10.664 -0.347 4.581 1.00 0.00 C ATOM 570 CG ARG A 41 -10.934 0.749 5.600 1.00 0.00 C ATOM 571 CD ARG A 41 -12.378 0.723 6.076 1.00 0.00 C ATOM 572 NE ARG A 41 -13.318 0.963 4.985 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.864 -0.007 4.259 1.00 0.00 C ATOM 574 NH1 ARG A 41 -13.564 -1.274 4.507 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.712 0.290 3.283 1.00 0.00 N ATOM 0 H ARG A 41 -9.097 1.176 3.157 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.685 -0.878 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.162 -0.092 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.107 -1.278 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.266 0.627 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.713 1.721 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.592 -0.243 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.519 1.479 6.849 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.569 1.928 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.913 -1.507 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.985 -2.016 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.946 1.264 3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.130 -0.455 2.726 1.00 0.00 H new ATOM 589 N LYS A 42 -9.641 -2.828 3.535 1.00 0.00 N ATOM 590 CA LYS A 42 -9.559 -3.971 2.633 1.00 0.00 C ATOM 591 C LYS A 42 -10.561 -5.050 3.031 1.00 0.00 C ATOM 592 O LYS A 42 -10.579 -5.503 4.175 1.00 0.00 O ATOM 593 CB LYS A 42 -8.142 -4.549 2.637 1.00 0.00 C ATOM 594 CG LYS A 42 -7.783 -5.286 1.358 1.00 0.00 C ATOM 595 CD LYS A 42 -6.803 -6.417 1.623 1.00 0.00 C ATOM 596 CE LYS A 42 -6.987 -7.557 0.632 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.965 -8.567 1.124 1.00 0.00 N ATOM 0 H LYS A 42 -10.220 -2.983 4.360 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.802 -3.627 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.429 -3.740 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.039 -5.231 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.688 -5.687 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.349 -4.587 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.783 -6.039 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.941 -6.790 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.328 -7.157 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.027 -8.040 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.062 -9.327 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.628 -8.968 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.888 -8.112 1.273 1.00 0.00 H new ATOM 611 N GLY A 43 -11.392 -5.460 2.078 1.00 0.00 N ATOM 612 CA GLY A 43 -12.384 -6.484 2.348 1.00 0.00 C ATOM 613 C GLY A 43 -12.971 -6.370 3.742 1.00 0.00 C ATOM 614 O GLY A 43 -12.957 -7.332 4.509 1.00 0.00 O ATOM 0 H GLY A 43 -11.396 -5.101 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.185 -6.412 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.929 -7.467 2.228 1.00 0.00 H new ATOM 618 N SER A 44 -13.486 -5.189 4.070 1.00 0.00 N ATOM 619 CA SER A 44 -14.075 -4.950 5.382 1.00 0.00 C ATOM 620 C SER A 44 -13.022 -5.069 6.480 1.00 0.00 C ATOM 621 O SER A 44 -13.223 -5.766 7.474 1.00 0.00 O ATOM 622 CB SER A 44 -15.212 -5.940 5.642 1.00 0.00 C ATOM 623 OG SER A 44 -16.449 -5.430 5.175 1.00 0.00 O ATOM 0 H SER A 44 -13.507 -4.383 3.445 1.00 0.00 H new ATOM 0 HA SER A 44 -14.475 -3.936 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.995 -6.886 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.281 -6.148 6.710 1.00 0.00 H new ATOM 0 HG SER A 44 -17.159 -6.082 5.351 1.00 0.00 H new ATOM 629 N GLU A 45 -11.900 -4.382 6.291 1.00 0.00 N ATOM 630 CA GLU A 45 -10.814 -4.410 7.264 1.00 0.00 C ATOM 631 C GLU A 45 -10.006 -3.117 7.216 1.00 0.00 C ATOM 632 O GLU A 45 -9.728 -2.584 6.141 1.00 0.00 O ATOM 633 CB GLU A 45 -9.898 -5.608 7.004 1.00 0.00 C ATOM 634 CG GLU A 45 -8.700 -5.279 6.128 1.00 0.00 C ATOM 635 CD GLU A 45 -8.120 -6.504 5.449 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.906 -7.386 5.044 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.880 -6.580 5.322 1.00 0.00 O ATOM 0 H GLU A 45 -11.719 -3.799 5.473 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.253 -4.506 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.544 -5.998 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.477 -6.401 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.997 -4.554 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.929 -4.806 6.736 1.00 0.00 H new ATOM 644 N THR A 46 -9.632 -2.616 8.389 1.00 0.00 N ATOM 645 CA THR A 46 -8.857 -1.385 8.482 1.00 0.00 C ATOM 646 C THR A 46 -7.361 -1.677 8.514 1.00 0.00 C ATOM 647 O THR A 46 -6.873 -2.372 9.406 1.00 0.00 O ATOM 648 CB THR A 46 -9.237 -0.575 9.736 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.591 -0.119 9.633 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.307 0.616 9.914 1.00 0.00 C ATOM 0 H THR A 46 -9.853 -3.044 9.288 1.00 0.00 H new ATOM 0 HA THR A 46 -9.091 -0.798 7.594 1.00 0.00 H new ATOM 0 HB THR A 46 -9.138 -1.225 10.605 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.825 0.394 10.435 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.595 1.173 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.281 0.264 10.022 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.378 1.266 9.042 1.00 0.00 H new ATOM 658 N LEU A 47 -6.638 -1.142 7.537 1.00 0.00 N ATOM 659 CA LEU A 47 -5.196 -1.345 7.453 1.00 0.00 C ATOM 660 C LEU A 47 -4.449 -0.283 8.253 1.00 0.00 C ATOM 661 O LEU A 47 -5.020 0.742 8.627 1.00 0.00 O ATOM 662 CB LEU A 47 -4.740 -1.315 5.993 1.00 0.00 C ATOM 663 CG LEU A 47 -5.620 -2.075 4.999 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.284 -1.670 3.572 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.456 -3.576 5.183 1.00 0.00 C ATOM 0 H LEU A 47 -7.027 -0.564 6.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.967 -2.322 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.680 -0.275 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.731 -1.723 5.940 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.661 -1.817 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.920 -2.220 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.453 -0.600 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.238 -1.899 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.089 -4.102 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.415 -3.851 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.747 -3.852 6.197 1.00 0.00 H new ATOM 677 N ARG A 48 -3.169 -0.533 8.510 1.00 0.00 N ATOM 678 CA ARG A 48 -2.344 0.402 9.264 1.00 0.00 C ATOM 679 C ARG A 48 -0.922 0.441 8.711 1.00 0.00 C ATOM 680 O ARG A 48 -0.426 -0.550 8.177 1.00 0.00 O ATOM 681 CB ARG A 48 -2.317 0.013 10.743 1.00 0.00 C ATOM 682 CG ARG A 48 -3.617 0.304 11.474 1.00 0.00 C ATOM 683 CD ARG A 48 -3.796 1.793 11.722 1.00 0.00 C ATOM 684 NE ARG A 48 -3.181 2.217 12.977 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.768 2.092 14.162 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.978 1.560 14.253 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.143 2.501 15.259 1.00 0.00 N ATOM 0 H ARG A 48 -2.681 -1.376 8.207 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.781 1.395 9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.094 -1.051 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.505 0.548 11.236 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.456 -0.072 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.628 -0.228 12.425 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.358 2.353 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.859 2.032 11.740 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.250 2.632 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.461 1.245 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.426 1.465 15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.212 2.911 15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.594 2.405 16.169 1.00 0.00 H new ATOM 701 N ASP A 49 -0.274 1.593 8.842 1.00 0.00 N ATOM 702 CA ASP A 49 1.091 1.762 8.356 1.00 0.00 C ATOM 703 C ASP A 49 2.073 0.959 9.204 1.00 0.00 C ATOM 704 O ASP A 49 2.085 1.069 10.430 1.00 0.00 O ATOM 705 CB ASP A 49 1.479 3.241 8.367 1.00 0.00 C ATOM 706 CG ASP A 49 2.056 3.679 9.699 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.276 3.836 10.661 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.289 3.864 9.779 1.00 0.00 O ATOM 0 H ASP A 49 -0.671 2.424 9.280 1.00 0.00 H new ATOM 0 HA ASP A 49 1.135 1.391 7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.209 3.428 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.601 3.845 8.138 1.00 0.00 H new ATOM 713 N GLY A 50 2.895 0.150 8.543 1.00 0.00 N ATOM 714 CA GLY A 50 3.868 -0.660 9.251 1.00 0.00 C ATOM 715 C GLY A 50 5.022 -1.087 8.366 1.00 0.00 C ATOM 716 O GLY A 50 5.473 -0.324 7.512 1.00 0.00 O ATOM 0 H GLY A 50 2.904 0.041 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.255 -0.097 10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.375 -1.546 9.653 1.00 0.00 H new ATOM 720 N ASP A 51 5.502 -2.309 8.571 1.00 0.00 N ATOM 721 CA ASP A 51 6.611 -2.836 7.785 1.00 0.00 C ATOM 722 C ASP A 51 6.156 -3.190 6.372 1.00 0.00 C ATOM 723 O ASP A 51 6.768 -2.771 5.389 1.00 0.00 O ATOM 724 CB ASP A 51 7.205 -4.070 8.466 1.00 0.00 C ATOM 725 CG ASP A 51 8.682 -4.239 8.170 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.440 -3.266 8.360 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.080 -5.346 7.748 1.00 0.00 O ATOM 0 H ASP A 51 5.140 -2.953 9.275 1.00 0.00 H new ATOM 0 HA ASP A 51 7.376 -2.063 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.060 -3.992 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.667 -4.958 8.135 1.00 0.00 H new ATOM 732 N ARG A 52 5.079 -3.963 6.279 1.00 0.00 N ATOM 733 CA ARG A 52 4.544 -4.374 4.986 1.00 0.00 C ATOM 734 C ARG A 52 3.685 -3.270 4.377 1.00 0.00 C ATOM 735 O ARG A 52 3.745 -3.015 3.174 1.00 0.00 O ATOM 736 CB ARG A 52 3.719 -5.654 5.136 1.00 0.00 C ATOM 737 CG ARG A 52 4.554 -6.885 5.444 1.00 0.00 C ATOM 738 CD ARG A 52 3.902 -8.150 4.907 1.00 0.00 C ATOM 739 NE ARG A 52 4.638 -9.351 5.290 1.00 0.00 N ATOM 740 CZ ARG A 52 4.520 -9.939 6.476 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.698 -9.439 7.388 1.00 0.00 N ATOM 742 NH2 ARG A 52 5.224 -11.030 6.750 1.00 0.00 N ATOM 0 H ARG A 52 4.560 -4.317 7.083 1.00 0.00 H new ATOM 0 HA ARG A 52 5.383 -4.567 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.988 -5.513 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.160 -5.826 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.546 -6.772 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.689 -6.974 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.880 -8.217 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.842 -8.093 3.820 1.00 0.00 H new ATOM 0 HE ARG A 52 5.278 -9.761 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.154 -8.601 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.609 -9.892 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.856 -11.418 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.133 -11.481 7.661 1.00 0.00 H new ATOM 756 N TYR A 53 2.885 -2.620 5.215 1.00 0.00 N ATOM 757 CA TYR A 53 2.012 -1.545 4.759 1.00 0.00 C ATOM 758 C TYR A 53 2.669 -0.184 4.966 1.00 0.00 C ATOM 759 O TYR A 53 3.483 -0.007 5.871 1.00 0.00 O ATOM 760 CB TYR A 53 0.675 -1.597 5.501 1.00 0.00 C ATOM 761 CG TYR A 53 -0.176 -2.792 5.134 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.958 -2.786 3.986 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.198 -3.926 5.936 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.737 -3.875 3.646 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.973 -5.021 5.604 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.741 -4.990 4.458 1.00 0.00 C ATOM 767 OH TYR A 53 -2.516 -6.077 4.125 1.00 0.00 O ATOM 0 H TYR A 53 2.823 -2.819 6.214 1.00 0.00 H new ATOM 0 HA TYR A 53 1.834 -1.683 3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.865 -1.613 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.116 -0.685 5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.957 -1.915 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.401 -3.952 6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.339 -3.853 2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.978 -5.896 6.238 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.404 -6.778 4.801 1.00 0.00 H new ATOM 777 N SER A 54 2.307 0.775 4.119 1.00 0.00 N ATOM 778 CA SER A 54 2.863 2.120 4.206 1.00 0.00 C ATOM 779 C SER A 54 1.826 3.163 3.799 1.00 0.00 C ATOM 780 O SER A 54 1.522 3.324 2.616 1.00 0.00 O ATOM 781 CB SER A 54 4.102 2.241 3.316 1.00 0.00 C ATOM 782 OG SER A 54 4.790 1.006 3.231 1.00 0.00 O ATOM 0 H SER A 54 1.632 0.645 3.366 1.00 0.00 H new ATOM 0 HA SER A 54 3.150 2.302 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.807 2.566 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.768 3.005 3.716 1.00 0.00 H new ATOM 0 HG SER A 54 5.479 1.063 2.536 1.00 0.00 H new ATOM 788 N LEU A 55 1.287 3.869 4.786 1.00 0.00 N ATOM 789 CA LEU A 55 0.284 4.898 4.533 1.00 0.00 C ATOM 790 C LEU A 55 0.901 6.290 4.611 1.00 0.00 C ATOM 791 O LEU A 55 1.146 6.811 5.699 1.00 0.00 O ATOM 792 CB LEU A 55 -0.863 4.778 5.538 1.00 0.00 C ATOM 793 CG LEU A 55 -1.750 3.541 5.399 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.969 2.282 5.745 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.982 3.666 6.284 1.00 0.00 C ATOM 0 H LEU A 55 1.528 3.748 5.770 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.107 4.750 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.441 4.787 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.492 5.664 5.448 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.078 3.467 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.617 1.412 5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.118 2.185 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.611 2.347 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.602 2.777 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.674 3.765 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.554 4.546 5.990 1.00 0.00 H new ATOM 807 N ARG A 56 1.147 6.889 3.450 1.00 0.00 N ATOM 808 CA ARG A 56 1.734 8.222 3.387 1.00 0.00 C ATOM 809 C ARG A 56 0.699 9.251 2.942 1.00 0.00 C ATOM 810 O ARG A 56 -0.436 8.903 2.619 1.00 0.00 O ATOM 811 CB ARG A 56 2.925 8.233 2.428 1.00 0.00 C ATOM 812 CG ARG A 56 4.145 7.500 2.962 1.00 0.00 C ATOM 813 CD ARG A 56 5.230 7.379 1.904 1.00 0.00 C ATOM 814 NE ARG A 56 5.816 8.674 1.571 1.00 0.00 N ATOM 815 CZ ARG A 56 7.034 8.820 1.060 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.790 7.757 0.824 1.00 0.00 N ATOM 817 NH2 ARG A 56 7.497 10.032 0.783 1.00 0.00 N ATOM 0 H ARG A 56 0.949 6.472 2.540 1.00 0.00 H new ATOM 0 HA ARG A 56 2.079 8.488 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.624 7.780 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.198 9.266 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.539 8.030 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.854 6.506 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.012 6.709 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.811 6.929 1.004 1.00 0.00 H new ATOM 0 HE ARG A 56 5.260 9.512 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.437 6.823 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.724 7.873 0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.918 10.852 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.432 10.143 0.391 1.00 0.00 H new ATOM 831 N GLN A 57 1.100 10.518 2.928 1.00 0.00 N ATOM 832 CA GLN A 57 0.207 11.598 2.524 1.00 0.00 C ATOM 833 C GLN A 57 0.972 12.908 2.367 1.00 0.00 C ATOM 834 O GLN A 57 1.925 13.173 3.100 1.00 0.00 O ATOM 835 CB GLN A 57 -0.917 11.769 3.548 1.00 0.00 C ATOM 836 CG GLN A 57 -1.871 12.906 3.221 1.00 0.00 C ATOM 837 CD GLN A 57 -2.574 13.450 4.448 1.00 0.00 C ATOM 838 OE1 GLN A 57 -1.943 14.026 5.335 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.888 13.269 4.507 1.00 0.00 N ATOM 0 H GLN A 57 2.037 10.822 3.192 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.227 11.335 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.482 10.839 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.478 11.945 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.318 13.711 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.615 12.556 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.371 12.786 3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.415 13.613 5.310 1.00 0.00 H new ATOM 848 N ASP A 58 0.548 13.723 1.407 1.00 0.00 N ATOM 849 CA ASP A 58 1.193 15.006 1.154 1.00 0.00 C ATOM 850 C ASP A 58 0.157 16.116 1.014 1.00 0.00 C ATOM 851 O ASP A 58 -0.112 16.593 -0.088 1.00 0.00 O ATOM 852 CB ASP A 58 2.051 14.929 -0.110 1.00 0.00 C ATOM 853 CG ASP A 58 3.242 15.865 -0.059 1.00 0.00 C ATOM 854 OD1 ASP A 58 4.279 15.476 0.519 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.138 16.987 -0.597 1.00 0.00 O ATOM 0 H ASP A 58 -0.239 13.518 0.792 1.00 0.00 H new ATOM 0 HA ASP A 58 1.834 15.237 2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.402 13.906 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.438 15.173 -0.977 1.00 0.00 H new ATOM 860 N GLY A 59 -0.423 16.524 2.139 1.00 0.00 N ATOM 861 CA GLY A 59 -1.424 17.574 2.120 1.00 0.00 C ATOM 862 C GLY A 59 -2.822 17.038 1.882 1.00 0.00 C ATOM 863 O GLY A 59 -3.550 16.737 2.829 1.00 0.00 O ATOM 0 H GLY A 59 -0.217 16.146 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.401 18.111 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.176 18.294 1.340 1.00 0.00 H new ATOM 867 N THR A 60 -3.201 16.920 0.613 1.00 0.00 N ATOM 868 CA THR A 60 -4.522 16.420 0.253 1.00 0.00 C ATOM 869 C THR A 60 -4.429 15.051 -0.410 1.00 0.00 C ATOM 870 O THR A 60 -5.379 14.268 -0.378 1.00 0.00 O ATOM 871 CB THR A 60 -5.250 17.390 -0.696 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.362 17.818 -1.735 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.771 18.601 0.063 1.00 0.00 C ATOM 0 H THR A 60 -2.611 17.164 -0.183 1.00 0.00 H new ATOM 0 HA THR A 60 -5.091 16.334 1.179 1.00 0.00 H new ATOM 0 HB THR A 60 -6.098 16.865 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.833 18.433 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.281 19.272 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.469 18.275 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.936 19.126 0.528 1.00 0.00 H new ATOM 881 N LYS A 61 -3.279 14.767 -1.012 1.00 0.00 N ATOM 882 CA LYS A 61 -3.061 13.490 -1.682 1.00 0.00 C ATOM 883 C LYS A 61 -2.634 12.418 -0.685 1.00 0.00 C ATOM 884 O LYS A 61 -2.089 12.726 0.376 1.00 0.00 O ATOM 885 CB LYS A 61 -1.998 13.639 -2.773 1.00 0.00 C ATOM 886 CG LYS A 61 -2.527 14.256 -4.056 1.00 0.00 C ATOM 887 CD LYS A 61 -1.580 14.018 -5.221 1.00 0.00 C ATOM 888 CE LYS A 61 -1.901 12.719 -5.944 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.318 12.688 -7.314 1.00 0.00 N ATOM 0 H LYS A 61 -2.483 15.404 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.002 13.182 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.183 14.254 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.579 12.658 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.504 13.833 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.669 15.327 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.646 14.851 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.553 13.989 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.517 11.878 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.982 12.596 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.559 11.787 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.703 13.476 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.284 12.780 -7.253 1.00 0.00 H new ATOM 903 N CYS A 62 -2.883 11.161 -1.032 1.00 0.00 N ATOM 904 CA CYS A 62 -2.523 10.043 -0.167 1.00 0.00 C ATOM 905 C CYS A 62 -1.781 8.965 -0.952 1.00 0.00 C ATOM 906 O CYS A 62 -1.663 9.045 -2.174 1.00 0.00 O ATOM 907 CB CYS A 62 -3.774 9.448 0.480 1.00 0.00 C ATOM 908 SG CYS A 62 -4.767 10.645 1.403 1.00 0.00 S ATOM 0 H CYS A 62 -3.333 10.890 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.862 10.419 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.394 9.000 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.475 8.644 1.153 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.934 10.766 0.842 1.00 0.00 H new ATOM 914 N GLU A 63 -1.282 7.960 -0.239 1.00 0.00 N ATOM 915 CA GLU A 63 -0.549 6.868 -0.869 1.00 0.00 C ATOM 916 C GLU A 63 -0.443 5.670 0.070 1.00 0.00 C ATOM 917 O GLU A 63 -0.057 5.809 1.231 1.00 0.00 O ATOM 918 CB GLU A 63 0.850 7.333 -1.280 1.00 0.00 C ATOM 919 CG GLU A 63 1.739 6.211 -1.789 1.00 0.00 C ATOM 920 CD GLU A 63 2.936 6.723 -2.567 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.956 7.065 -1.932 1.00 0.00 O ATOM 922 OE2 GLU A 63 2.853 6.782 -3.812 1.00 0.00 O ATOM 0 H GLU A 63 -1.372 7.879 0.774 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.099 6.562 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.758 8.093 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.332 7.808 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.087 5.616 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.153 5.548 -2.426 1.00 0.00 H new ATOM 929 N LEU A 64 -0.789 4.493 -0.441 1.00 0.00 N ATOM 930 CA LEU A 64 -0.735 3.270 0.352 1.00 0.00 C ATOM 931 C LEU A 64 0.027 2.175 -0.389 1.00 0.00 C ATOM 932 O LEU A 64 -0.372 1.754 -1.474 1.00 0.00 O ATOM 933 CB LEU A 64 -2.149 2.789 0.682 1.00 0.00 C ATOM 934 CG LEU A 64 -2.255 1.400 1.313 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.269 0.325 0.238 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.109 1.168 2.287 1.00 0.00 C ATOM 0 H LEU A 64 -1.110 4.360 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.208 3.491 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.608 3.510 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.737 2.795 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.193 1.344 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.345 -0.657 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.124 0.480 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.349 0.380 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.200 0.175 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.160 1.244 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.145 1.919 3.076 1.00 0.00 H new ATOM 948 N GLN A 65 1.124 1.719 0.207 1.00 0.00 N ATOM 949 CA GLN A 65 1.941 0.672 -0.396 1.00 0.00 C ATOM 950 C GLN A 65 1.739 -0.658 0.323 1.00 0.00 C ATOM 951 O GLN A 65 1.646 -0.703 1.550 1.00 0.00 O ATOM 952 CB GLN A 65 3.419 1.065 -0.362 1.00 0.00 C ATOM 953 CG GLN A 65 3.873 1.833 -1.592 1.00 0.00 C ATOM 954 CD GLN A 65 5.354 2.157 -1.564 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.197 1.261 -1.546 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.678 3.445 -1.560 1.00 0.00 N ATOM 0 H GLN A 65 1.467 2.058 1.106 1.00 0.00 H new ATOM 0 HA GLN A 65 1.628 0.554 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.605 1.672 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.024 0.164 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.650 1.248 -2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.304 2.759 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.946 4.155 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.659 3.724 -1.541 1.00 0.00 H new ATOM 965 N ILE A 66 1.672 -1.738 -0.449 1.00 0.00 N ATOM 966 CA ILE A 66 1.482 -3.068 0.115 1.00 0.00 C ATOM 967 C ILE A 66 2.632 -3.995 -0.264 1.00 0.00 C ATOM 968 O ILE A 66 2.632 -4.593 -1.340 1.00 0.00 O ATOM 969 CB ILE A 66 0.156 -3.695 -0.355 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.016 -2.768 -0.026 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.043 -5.059 0.289 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.233 -3.003 -0.893 1.00 0.00 C ATOM 0 H ILE A 66 1.746 -1.717 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 66 1.455 -2.950 1.198 1.00 0.00 H new ATOM 0 HB ILE A 66 0.197 -3.828 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.293 -2.903 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.693 -1.733 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.984 -5.489 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.780 -5.717 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.067 -4.949 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.024 -2.311 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.972 -2.840 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.581 -4.028 -0.762 1.00 0.00 H new ATOM 984 N ARG A 67 3.610 -4.111 0.628 1.00 0.00 N ATOM 985 CA ARG A 67 4.766 -4.966 0.388 1.00 0.00 C ATOM 986 C ARG A 67 4.440 -6.423 0.704 1.00 0.00 C ATOM 987 O ARG A 67 3.935 -6.737 1.781 1.00 0.00 O ATOM 988 CB ARG A 67 5.954 -4.503 1.233 1.00 0.00 C ATOM 989 CG ARG A 67 6.449 -3.111 0.878 1.00 0.00 C ATOM 990 CD ARG A 67 7.366 -2.553 1.955 1.00 0.00 C ATOM 991 NE ARG A 67 7.406 -1.094 1.938 1.00 0.00 N ATOM 992 CZ ARG A 67 8.033 -0.365 2.855 1.00 0.00 C ATOM 993 NH1 ARG A 67 8.669 -0.958 3.856 1.00 0.00 N ATOM 994 NH2 ARG A 67 8.024 0.959 2.772 1.00 0.00 N ATOM 0 H ARG A 67 3.625 -3.623 1.524 1.00 0.00 H new ATOM 0 HA ARG A 67 5.029 -4.891 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.669 -4.521 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.773 -5.212 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.981 -3.145 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.597 -2.444 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.027 -2.895 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.373 -2.945 1.812 1.00 0.00 H new ATOM 0 HE ARG A 67 6.926 -0.607 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.678 -1.976 3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.150 -0.396 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.535 1.419 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.506 1.517 3.477 1.00 0.00 H new ATOM 1008 N GLY A 68 4.733 -7.309 -0.243 1.00 0.00 N ATOM 1009 CA GLY A 68 4.464 -8.721 -0.046 1.00 0.00 C ATOM 1010 C GLY A 68 3.165 -9.160 -0.694 1.00 0.00 C ATOM 1011 O GLY A 68 2.382 -9.898 -0.096 1.00 0.00 O ATOM 0 H GLY A 68 5.152 -7.074 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.287 -9.305 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.424 -8.934 1.022 1.00 0.00 H new ATOM 1015 N LEU A 69 2.935 -8.704 -1.921 1.00 0.00 N ATOM 1016 CA LEU A 69 1.721 -9.052 -2.651 1.00 0.00 C ATOM 1017 C LEU A 69 1.636 -10.558 -2.881 1.00 0.00 C ATOM 1018 O LEU A 69 2.647 -11.216 -3.124 1.00 0.00 O ATOM 1019 CB LEU A 69 1.680 -8.317 -3.992 1.00 0.00 C ATOM 1020 CG LEU A 69 1.380 -6.819 -3.927 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.686 -6.155 -5.260 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.070 -6.581 -3.530 1.00 0.00 C ATOM 0 H LEU A 69 3.573 -8.093 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 69 0.865 -8.746 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.641 -8.454 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.926 -8.791 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 69 2.021 -6.373 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.466 -5.089 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.740 -6.294 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.072 -6.605 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.265 -5.509 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.729 -7.042 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.256 -7.021 -2.550 1.00 0.00 H new ATOM 1034 N ALA A 70 0.424 -11.096 -2.804 1.00 0.00 N ATOM 1035 CA ALA A 70 0.207 -12.523 -3.008 1.00 0.00 C ATOM 1036 C ALA A 70 -1.252 -12.814 -3.341 1.00 0.00 C ATOM 1037 O ALA A 70 -2.136 -12.003 -3.065 1.00 0.00 O ATOM 1038 CB ALA A 70 0.634 -13.303 -1.773 1.00 0.00 C ATOM 0 H ALA A 70 -0.423 -10.565 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 70 0.816 -12.841 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.467 -14.367 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.692 -13.128 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.049 -12.973 -0.914 1.00 0.00 H new ATOM 1044 N MET A 71 -1.498 -13.976 -3.937 1.00 0.00 N ATOM 1045 CA MET A 71 -2.851 -14.374 -4.308 1.00 0.00 C ATOM 1046 C MET A 71 -3.857 -13.931 -3.250 1.00 0.00 C ATOM 1047 O MET A 71 -4.911 -13.385 -3.573 1.00 0.00 O ATOM 1048 CB MET A 71 -2.926 -15.890 -4.497 1.00 0.00 C ATOM 1049 CG MET A 71 -2.226 -16.382 -5.753 1.00 0.00 C ATOM 1050 SD MET A 71 -3.321 -16.428 -7.185 1.00 0.00 S ATOM 1051 CE MET A 71 -3.085 -14.780 -7.846 1.00 0.00 C ATOM 0 H MET A 71 -0.778 -14.659 -4.173 1.00 0.00 H new ATOM 0 HA MET A 71 -3.102 -13.885 -5.250 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.483 -16.378 -3.629 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.973 -16.192 -4.533 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.378 -15.733 -5.970 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.826 -17.380 -5.574 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.170 -14.808 -8.932 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.845 -14.113 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.096 -14.415 -7.569 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.524 -14.171 -1.986 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.397 -13.795 -0.881 1.00 0.00 C ATOM 1063 C ALA A 72 -4.676 -12.296 -0.888 1.00 0.00 C ATOM 1064 O ALA A 72 -5.811 -11.866 -0.681 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.781 -14.214 0.445 1.00 0.00 C ATOM 0 H ALA A 72 -2.656 -14.624 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.347 -14.315 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.444 -13.927 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.640 -15.295 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.817 -13.721 0.570 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.635 -11.507 -1.125 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.768 -10.055 -1.159 1.00 0.00 C ATOM 1073 C ASP A 73 -4.823 -9.629 -2.175 1.00 0.00 C ATOM 1074 O ASP A 73 -5.502 -8.618 -1.996 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.425 -9.406 -1.497 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.302 -9.903 -0.609 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.162 -11.135 -0.463 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.563 -9.060 -0.058 1.00 0.00 O ATOM 0 H ASP A 73 -2.689 -11.848 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.086 -9.721 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.178 -9.610 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.512 -8.324 -1.396 1.00 0.00 H new ATOM 1083 N THR A 74 -4.955 -10.407 -3.245 1.00 0.00 N ATOM 1084 CA THR A 74 -5.925 -10.110 -4.292 1.00 0.00 C ATOM 1085 C THR A 74 -7.306 -9.849 -3.703 1.00 0.00 C ATOM 1086 O THR A 74 -8.004 -10.777 -3.297 1.00 0.00 O ATOM 1087 CB THR A 74 -6.023 -11.262 -5.310 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.714 -11.634 -5.757 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.876 -10.858 -6.503 1.00 0.00 C ATOM 0 H THR A 74 -4.402 -11.248 -3.409 1.00 0.00 H new ATOM 0 HA THR A 74 -5.575 -9.213 -4.802 1.00 0.00 H new ATOM 0 HB THR A 74 -6.494 -12.113 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.299 -12.227 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.931 -11.687 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.880 -10.604 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.429 -9.993 -6.994 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.695 -8.578 -3.660 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.993 -8.218 -3.120 1.00 0.00 C ATOM 1099 C GLY A 75 -9.399 -6.803 -3.480 1.00 0.00 C ATOM 1100 O GLY A 75 -9.150 -6.344 -4.595 1.00 0.00 O ATOM 0 H GLY A 75 -7.135 -7.792 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.744 -8.914 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.973 -8.322 -2.035 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.027 -6.110 -2.536 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.470 -4.739 -2.762 1.00 0.00 C ATOM 1106 C GLU A 76 -10.028 -3.829 -1.620 1.00 0.00 C ATOM 1107 O GLU A 76 -10.028 -4.230 -0.456 1.00 0.00 O ATOM 1108 CB GLU A 76 -11.993 -4.689 -2.907 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.587 -3.320 -2.623 1.00 0.00 C ATOM 1110 CD GLU A 76 -13.031 -3.165 -1.182 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -12.200 -2.756 -0.344 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.211 -3.452 -0.891 1.00 0.00 O ATOM 0 H GLU A 76 -10.241 -6.475 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.012 -4.384 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.263 -4.990 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.438 -5.417 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.849 -2.552 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.439 -3.154 -3.282 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.650 -2.602 -1.961 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.202 -1.635 -0.966 1.00 0.00 C ATOM 1121 C TYR A 77 -10.013 -0.346 -1.056 1.00 0.00 C ATOM 1122 O TYR A 77 -10.328 0.128 -2.147 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.715 -1.330 -1.155 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.815 -2.516 -0.892 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.799 -3.605 -1.754 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.982 -2.548 0.219 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.979 -4.692 -1.518 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.157 -3.629 0.463 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.160 -4.699 -0.408 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.341 -5.778 -0.168 1.00 0.00 O ATOM 0 H TYR A 77 -9.645 -2.253 -2.920 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.354 -2.070 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.551 -0.979 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.432 -0.515 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.439 -3.602 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.979 -1.713 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.979 -5.531 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.514 -3.636 1.330 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.829 -5.624 0.653 1.00 0.00 H new ATOM 1140 N SER A 78 -10.347 0.216 0.101 1.00 0.00 N ATOM 1141 CA SER A 78 -11.124 1.449 0.156 1.00 0.00 C ATOM 1142 C SER A 78 -10.473 2.461 1.094 1.00 0.00 C ATOM 1143 O SER A 78 -10.272 2.187 2.278 1.00 0.00 O ATOM 1144 CB SER A 78 -12.553 1.156 0.617 1.00 0.00 C ATOM 1145 OG SER A 78 -13.054 -0.022 0.008 1.00 0.00 O ATOM 0 H SER A 78 -10.092 -0.163 1.013 1.00 0.00 H new ATOM 0 HA SER A 78 -11.153 1.876 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.573 1.045 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.198 1.999 0.370 1.00 0.00 H new ATOM 0 HG SER A 78 -13.968 -0.188 0.320 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.145 3.630 0.556 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.515 4.684 1.344 1.00 0.00 C ATOM 1153 C CYS A 79 -10.562 5.626 1.928 1.00 0.00 C ATOM 1154 O CYS A 79 -11.147 6.441 1.215 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.527 5.472 0.483 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.274 6.369 1.429 1.00 0.00 S ATOM 0 H CYS A 79 -10.304 3.872 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.975 4.215 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.028 4.784 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.082 6.183 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.191 5.654 1.502 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.796 5.508 3.232 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.773 6.348 3.913 1.00 0.00 C ATOM 1164 C VAL A 80 -11.114 7.589 4.504 1.00 0.00 C ATOM 1165 O VAL A 80 -9.992 7.527 5.009 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.491 5.576 5.036 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.845 6.203 5.333 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.644 4.110 4.661 1.00 0.00 C ATOM 0 H VAL A 80 -10.321 4.838 3.837 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.506 6.651 3.165 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.884 5.635 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.338 5.645 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.706 7.237 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.463 6.177 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.153 3.580 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.229 4.028 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.659 3.670 4.503 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.818 8.713 4.440 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.301 9.970 4.969 1.00 0.00 C ATOM 1180 C CYS A 81 -12.198 10.500 6.084 1.00 0.00 C ATOM 1181 O CYS A 81 -11.728 11.155 7.013 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.186 11.009 3.853 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.745 11.357 3.005 1.00 0.00 S ATOM 0 H CYS A 81 -12.748 8.780 4.027 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.310 9.782 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.799 11.937 4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.456 10.662 3.121 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.974 10.432 2.121 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.492 10.213 5.982 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.434 10.670 6.987 1.00 0.00 C ATOM 1191 C GLY A 82 -15.870 10.351 6.623 1.00 0.00 C ATOM 1192 O GLY A 82 -16.496 9.488 7.238 1.00 0.00 O ATOM 0 H GLY A 82 -13.905 9.672 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.193 10.206 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.326 11.747 7.119 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.394 11.050 5.621 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.767 10.838 5.178 1.00 0.00 C ATOM 1198 C GLN A 83 -17.802 10.059 3.867 1.00 0.00 C ATOM 1199 O GLN A 83 -18.716 9.272 3.627 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.483 12.179 5.007 1.00 0.00 C ATOM 1201 CG GLN A 83 -17.636 13.239 4.322 1.00 0.00 C ATOM 1202 CD GLN A 83 -18.352 14.569 4.201 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -18.568 15.073 3.098 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -18.725 15.147 5.337 1.00 0.00 N ATOM 0 H GLN A 83 -15.889 11.768 5.101 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.282 10.254 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.394 12.024 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -18.787 12.546 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.712 13.378 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.357 12.889 3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.526 14.694 6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.211 16.044 5.317 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.800 10.287 3.023 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.718 9.607 1.735 1.00 0.00 C ATOM 1215 C GLU A 84 -15.468 8.735 1.659 1.00 0.00 C ATOM 1216 O GLU A 84 -14.536 8.898 2.447 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.712 10.626 0.594 1.00 0.00 C ATOM 1218 CG GLU A 84 -17.924 11.543 0.591 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.155 10.880 0.004 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.018 10.164 -1.010 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.256 11.077 0.559 1.00 0.00 O ATOM 0 H GLU A 84 -16.035 10.936 3.208 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.594 8.966 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.809 11.232 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.667 10.094 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.138 11.859 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.693 12.442 0.020 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.456 7.809 0.706 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.322 6.910 0.527 1.00 0.00 C ATOM 1230 C ARG A 85 -14.306 6.329 -0.883 1.00 0.00 C ATOM 1231 O ARG A 85 -15.335 6.279 -1.558 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.374 5.779 1.556 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.145 4.559 1.080 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.797 3.824 2.241 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.929 4.565 2.791 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.880 4.009 3.534 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.836 2.714 3.813 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.878 4.750 3.998 1.00 0.00 N ATOM 0 H ARG A 85 -16.219 7.661 0.046 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.408 7.485 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.356 5.480 1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.831 6.153 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.910 4.866 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.471 3.884 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.134 2.843 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.058 3.656 3.025 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.993 5.564 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.071 2.141 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.567 2.290 4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.915 5.747 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.608 4.323 4.568 1.00 0.00 H new ATOM 1252 N THR A 86 -13.130 5.892 -1.324 1.00 0.00 N ATOM 1253 CA THR A 86 -12.979 5.317 -2.655 1.00 0.00 C ATOM 1254 C THR A 86 -12.851 3.799 -2.586 1.00 0.00 C ATOM 1255 O THR A 86 -12.925 3.209 -1.508 1.00 0.00 O ATOM 1256 CB THR A 86 -11.747 5.892 -3.379 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.665 5.358 -4.705 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.471 5.568 -2.616 1.00 0.00 C ATOM 0 H THR A 86 -12.269 5.925 -0.779 1.00 0.00 H new ATOM 0 HA THR A 86 -13.876 5.579 -3.216 1.00 0.00 H new ATOM 0 HB THR A 86 -11.855 6.975 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.523 5.484 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.614 5.984 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.525 6.001 -1.617 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.359 4.487 -2.537 1.00 0.00 H new ATOM 1266 N SER A 87 -12.658 3.173 -3.742 1.00 0.00 N ATOM 1267 CA SER A 87 -12.523 1.723 -3.813 1.00 0.00 C ATOM 1268 C SER A 87 -11.867 1.302 -5.125 1.00 0.00 C ATOM 1269 O SER A 87 -12.109 1.901 -6.173 1.00 0.00 O ATOM 1270 CB SER A 87 -13.892 1.055 -3.677 1.00 0.00 C ATOM 1271 OG SER A 87 -14.913 1.864 -4.234 1.00 0.00 O ATOM 0 H SER A 87 -12.592 3.647 -4.643 1.00 0.00 H new ATOM 0 HA SER A 87 -11.886 1.401 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.878 0.086 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.106 0.868 -2.625 1.00 0.00 H new ATOM 0 HG SER A 87 -15.778 1.413 -4.136 1.00 0.00 H new ATOM 1277 N ALA A 88 -11.036 0.267 -5.059 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.347 -0.236 -6.241 1.00 0.00 C ATOM 1279 C ALA A 88 -9.774 -1.627 -5.991 1.00 0.00 C ATOM 1280 O ALA A 88 -8.990 -1.828 -5.064 1.00 0.00 O ATOM 1281 CB ALA A 88 -9.243 0.725 -6.657 1.00 0.00 C ATOM 0 H ALA A 88 -10.824 -0.239 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.073 -0.310 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.737 0.337 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.675 1.699 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.525 0.828 -5.844 1.00 0.00 H new ATOM 1287 N MET A 89 -10.171 -2.583 -6.824 1.00 0.00 N ATOM 1288 CA MET A 89 -9.696 -3.956 -6.693 1.00 0.00 C ATOM 1289 C MET A 89 -8.207 -4.049 -7.013 1.00 0.00 C ATOM 1290 O MET A 89 -7.693 -3.301 -7.845 1.00 0.00 O ATOM 1291 CB MET A 89 -10.487 -4.882 -7.618 1.00 0.00 C ATOM 1292 CG MET A 89 -11.883 -5.203 -7.109 1.00 0.00 C ATOM 1293 SD MET A 89 -12.468 -6.818 -7.656 1.00 0.00 S ATOM 1294 CE MET A 89 -11.255 -7.894 -6.895 1.00 0.00 C ATOM 0 H MET A 89 -10.820 -2.433 -7.596 1.00 0.00 H new ATOM 0 HA MET A 89 -9.848 -4.270 -5.660 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.566 -4.419 -8.602 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.934 -5.812 -7.747 1.00 0.00 H new ATOM 0 HG2 MET A 89 -11.885 -5.170 -6.019 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.576 -4.435 -7.452 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.698 -8.874 -6.718 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.396 -7.999 -7.557 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.932 -7.465 -5.947 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.520 -4.970 -6.347 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.090 -5.161 -6.560 1.00 0.00 C ATOM 1306 C LEU A 90 -5.796 -6.573 -7.055 1.00 0.00 C ATOM 1307 O LEU A 90 -5.897 -7.541 -6.301 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.321 -4.891 -5.266 1.00 0.00 C ATOM 1309 CG LEU A 90 -3.980 -5.612 -5.119 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.044 -5.234 -6.257 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.346 -5.290 -3.774 1.00 0.00 C ATOM 0 H LEU A 90 -7.930 -5.597 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.764 -4.454 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.144 -3.818 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.955 -5.171 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.159 -6.686 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.095 -5.756 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.495 -5.517 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.870 -4.158 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.393 -5.812 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.180 -4.215 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.010 -5.612 -2.972 1.00 0.00 H new ATOM 1323 N THR A 91 -5.430 -6.685 -8.329 1.00 0.00 N ATOM 1324 CA THR A 91 -5.121 -7.979 -8.924 1.00 0.00 C ATOM 1325 C THR A 91 -3.643 -8.316 -8.769 1.00 0.00 C ATOM 1326 O THR A 91 -2.773 -7.524 -9.131 1.00 0.00 O ATOM 1327 CB THR A 91 -5.488 -8.011 -10.420 1.00 0.00 C ATOM 1328 OG1 THR A 91 -6.902 -7.849 -10.581 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.047 -9.319 -11.058 1.00 0.00 C ATOM 0 H THR A 91 -5.341 -5.895 -8.968 1.00 0.00 H new ATOM 0 HA THR A 91 -5.718 -8.721 -8.394 1.00 0.00 H new ATOM 0 HB THR A 91 -4.969 -7.191 -10.916 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.127 -7.869 -11.535 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.317 -9.318 -12.114 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.967 -9.426 -10.960 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.541 -10.152 -10.558 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.364 -9.498 -8.227 1.00 0.00 N ATOM 1338 CA VAL A 92 -1.990 -9.941 -8.025 1.00 0.00 C ATOM 1339 C VAL A 92 -1.625 -11.061 -8.994 1.00 0.00 C ATOM 1340 O VAL A 92 -1.743 -12.241 -8.667 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.765 -10.432 -6.583 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.345 -10.951 -6.410 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.059 -9.318 -5.589 1.00 0.00 C ATOM 0 H VAL A 92 -4.072 -10.165 -7.920 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.349 -9.079 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.453 -11.254 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.205 -11.293 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.175 -11.781 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.363 -10.151 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.895 -9.683 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.397 -8.474 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.096 -8.999 -5.696 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.182 -10.681 -10.188 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.801 -11.653 -11.206 1.00 0.00 C ATOM 1355 C ARG A 93 0.289 -12.585 -10.686 1.00 0.00 C ATOM 1356 O ARG A 93 1.456 -12.204 -10.598 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.317 -10.938 -12.468 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.383 -10.081 -13.130 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.288 -10.912 -14.027 1.00 0.00 C ATOM 1360 NE ARG A 93 -1.763 -11.019 -15.386 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.518 -11.281 -16.447 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.824 -11.461 -16.307 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -1.966 -11.364 -17.651 1.00 0.00 N ATOM 0 H ARG A 93 -1.078 -9.707 -10.474 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.680 -12.250 -11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.537 -10.309 -12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.036 -11.681 -13.183 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.982 -9.587 -12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.907 -9.296 -13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.402 -11.910 -13.603 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.281 -10.463 -14.056 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.762 -10.885 -15.528 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.251 -11.398 -15.383 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.402 -11.662 -17.123 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.961 -11.227 -17.762 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.546 -11.565 -18.465 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.100 -13.809 -10.342 1.00 0.00 N ATOM 1378 CA ALA A 94 0.845 -14.795 -9.832 1.00 0.00 C ATOM 1379 C ALA A 94 2.069 -14.902 -10.736 1.00 0.00 C ATOM 1380 O ALA A 94 1.961 -14.803 -11.959 1.00 0.00 O ATOM 1381 CB ALA A 94 0.168 -16.151 -9.695 1.00 0.00 C ATOM 0 H ALA A 94 -1.062 -14.141 -10.407 1.00 0.00 H new ATOM 0 HA ALA A 94 1.180 -14.466 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.884 -16.878 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.671 -16.071 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.195 -16.477 -10.670 1.00 0.00 H new ATOM 1387 N LEU A 95 3.232 -15.103 -10.126 1.00 0.00 N ATOM 1388 CA LEU A 95 4.478 -15.222 -10.876 1.00 0.00 C ATOM 1389 C LEU A 95 4.572 -16.581 -11.563 1.00 0.00 C ATOM 1390 O LEU A 95 4.049 -17.585 -11.079 1.00 0.00 O ATOM 1391 CB LEU A 95 5.676 -15.023 -9.947 1.00 0.00 C ATOM 1392 CG LEU A 95 5.913 -13.595 -9.454 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.634 -13.605 -8.115 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.704 -12.800 -10.482 1.00 0.00 C ATOM 0 H LEU A 95 3.338 -15.187 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 95 4.488 -14.447 -11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.548 -15.669 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.573 -15.360 -10.466 1.00 0.00 H new ATOM 0 HG LEU A 95 4.945 -13.113 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.794 -12.580 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.029 -14.137 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.596 -14.105 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.863 -11.786 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.668 -13.280 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.149 -12.763 -11.419 1.00 0.00 H new