USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 388 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 GLN : amide:sc= -1.58 K(o=-0.74,f=-0.2) USER MOD Set 1.2: A 34 ASN : amide:sc= 0.833 K(o=-0.74,f=-0.2) USER MOD Single : A 6 GLN : amide:sc= -3.25! C(o=-3.3!,f=-1.6!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 23 SER OG : rot 97:sc= 0.74 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 89:sc= 0.632 USER MOD Single : A 27 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 28 THR OG1 : rot 52:sc= -0.0695 USER MOD Single : A 32 MET CE :methyl -139:sc= -0.312 (180deg=-1.07) USER MOD Single : A 36 MET CE :methyl -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 38 GLN : amide:sc= -0.312 K(o=-0.31,f=-3.3!) USER MOD Single : A 39 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.045) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.000354 X(o=-0.00035,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.731 -3.251 4.378 1.00 0.00 N ATOM 37 CA LEU A 4 -19.945 -3.503 3.182 1.00 0.00 C ATOM 38 C LEU A 4 -20.572 -2.759 2.001 1.00 0.00 C ATOM 39 O LEU A 4 -19.863 -2.166 1.190 1.00 0.00 O ATOM 40 CB LEU A 4 -19.790 -5.007 2.950 1.00 0.00 C ATOM 41 CG LEU A 4 -18.412 -5.596 3.264 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.310 -4.838 2.521 1.00 0.00 C ATOM 43 CD2 LEU A 4 -18.165 -5.634 4.774 1.00 0.00 C ATOM 0 HA LEU A 4 -18.933 -3.117 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.532 -5.526 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.025 -5.220 1.907 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.390 -6.626 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.341 -5.276 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.482 -4.906 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.320 -3.791 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.180 -6.056 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.213 -4.622 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.926 -6.251 5.252 1.00 0.00 H new ATOM 54 N ILE A 5 -21.894 -2.816 1.940 1.00 0.00 N ATOM 55 CA ILE A 5 -22.624 -2.156 0.872 1.00 0.00 C ATOM 56 C ILE A 5 -22.271 -0.667 0.864 1.00 0.00 C ATOM 57 O ILE A 5 -22.085 -0.075 -0.199 1.00 0.00 O ATOM 58 CB ILE A 5 -24.124 -2.432 0.997 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.387 -3.913 1.273 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.877 -1.936 -0.239 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.530 -4.801 0.368 1.00 0.00 C ATOM 0 H ILE A 5 -22.479 -3.310 2.614 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.329 -2.560 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.505 -1.873 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.170 -4.136 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.442 -4.135 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.941 -2.144 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.727 -0.862 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.500 -2.448 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.737 -5.849 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.767 -4.593 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.475 -4.594 0.549 1.00 0.00 H new ATOM 72 N GLN A 6 -22.190 -0.105 2.060 1.00 0.00 N ATOM 73 CA GLN A 6 -21.862 1.303 2.204 1.00 0.00 C ATOM 74 C GLN A 6 -20.507 1.602 1.559 1.00 0.00 C ATOM 75 O GLN A 6 -20.398 2.499 0.725 1.00 0.00 O ATOM 76 CB GLN A 6 -21.873 1.722 3.676 1.00 0.00 C ATOM 77 CG GLN A 6 -23.177 2.439 4.033 1.00 0.00 C ATOM 78 CD GLN A 6 -22.939 3.515 5.094 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.429 3.443 6.208 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.160 4.513 4.687 1.00 0.00 N ATOM 0 H GLN A 6 -22.346 -0.599 2.939 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.624 1.887 1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.752 0.843 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -21.026 2.378 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.603 2.893 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.905 1.716 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.782 4.511 3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.940 5.280 5.322 1.00 0.00 H new ATOM 87 N VAL A 7 -19.510 0.833 1.970 1.00 0.00 N ATOM 88 CA VAL A 7 -18.167 1.004 1.443 1.00 0.00 C ATOM 89 C VAL A 7 -18.151 0.620 -0.038 1.00 0.00 C ATOM 90 O VAL A 7 -17.611 1.350 -0.867 1.00 0.00 O ATOM 91 CB VAL A 7 -17.170 0.201 2.280 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.843 0.031 1.539 1.00 0.00 C ATOM 93 CG2 VAL A 7 -16.954 0.849 3.649 1.00 0.00 C ATOM 0 H VAL A 7 -19.605 0.090 2.662 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.861 2.048 1.511 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.593 -0.791 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.152 -0.543 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.015 -0.496 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.414 1.011 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.241 0.257 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.565 1.858 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.902 0.893 4.184 1.00 0.00 H new ATOM 103 N ARG A 8 -18.752 -0.527 -0.324 1.00 0.00 N ATOM 104 CA ARG A 8 -18.814 -1.018 -1.690 1.00 0.00 C ATOM 105 C ARG A 8 -19.449 0.033 -2.603 1.00 0.00 C ATOM 106 O ARG A 8 -18.905 0.354 -3.659 1.00 0.00 O ATOM 107 CB ARG A 8 -19.625 -2.312 -1.774 1.00 0.00 C ATOM 108 CG ARG A 8 -18.807 -3.504 -1.271 1.00 0.00 C ATOM 109 CD ARG A 8 -19.141 -4.770 -2.061 1.00 0.00 C ATOM 110 NE ARG A 8 -20.075 -5.618 -1.289 1.00 0.00 N ATOM 111 CZ ARG A 8 -20.771 -6.651 -1.813 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.642 -6.971 -3.118 1.00 0.00 N ATOM 113 NH2 ARG A 8 -21.578 -7.341 -1.030 1.00 0.00 N ATOM 0 H ARG A 8 -19.200 -1.129 0.367 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.794 -1.220 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.535 -2.215 -1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.933 -2.486 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.743 -3.284 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.009 -3.668 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.587 -4.503 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.228 -5.325 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.202 -5.410 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.016 -6.432 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.171 -7.752 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.669 -7.092 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.111 -8.124 -1.409 1.00 0.00 H new ATOM 123 N ASP A 9 -20.591 0.542 -2.163 1.00 0.00 N ATOM 124 CA ASP A 9 -21.305 1.549 -2.927 1.00 0.00 C ATOM 125 C ASP A 9 -20.381 2.741 -3.182 1.00 0.00 C ATOM 126 O ASP A 9 -20.231 3.184 -4.320 1.00 0.00 O ATOM 127 CB ASP A 9 -22.529 2.056 -2.162 1.00 0.00 C ATOM 128 CG ASP A 9 -23.549 2.823 -3.007 1.00 0.00 C ATOM 129 OD1 ASP A 9 -24.073 3.865 -2.585 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.804 2.303 -4.159 1.00 0.00 O ATOM 0 H ASP A 9 -21.039 0.275 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.627 1.095 -3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.029 1.204 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.190 2.703 -1.353 1.00 0.00 H new ATOM 135 N LEU A 10 -19.784 3.228 -2.103 1.00 0.00 N ATOM 136 CA LEU A 10 -18.878 4.359 -2.195 1.00 0.00 C ATOM 137 C LEU A 10 -17.696 3.989 -3.093 1.00 0.00 C ATOM 138 O LEU A 10 -17.367 4.720 -4.026 1.00 0.00 O ATOM 139 CB LEU A 10 -18.466 4.831 -0.800 1.00 0.00 C ATOM 140 CG LEU A 10 -19.216 6.047 -0.254 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.073 7.246 -1.194 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.681 5.709 0.025 1.00 0.00 C ATOM 0 H LEU A 10 -19.911 2.859 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.377 5.209 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.601 4.003 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.401 5.063 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.765 6.328 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.615 8.097 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.019 7.503 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.483 6.993 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.191 6.591 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.163 5.388 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.736 4.906 0.761 1.00 0.00 H new ATOM 153 N LEU A 11 -17.089 2.853 -2.782 1.00 0.00 N ATOM 154 CA LEU A 11 -15.951 2.376 -3.548 1.00 0.00 C ATOM 155 C LEU A 11 -16.312 2.368 -5.035 1.00 0.00 C ATOM 156 O LEU A 11 -15.443 2.537 -5.889 1.00 0.00 O ATOM 157 CB LEU A 11 -15.480 1.020 -3.021 1.00 0.00 C ATOM 158 CG LEU A 11 -14.229 1.040 -2.141 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.888 -0.365 -1.641 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.053 1.689 -2.874 1.00 0.00 C ATOM 0 H LEU A 11 -17.365 2.248 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.102 3.049 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.294 0.572 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.290 0.367 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.438 1.652 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.995 -0.323 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.721 -0.755 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.705 -1.020 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.176 1.690 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.833 1.125 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.310 2.715 -3.138 1.00 0.00 H new ATOM 171 N ALA A 12 -17.595 2.167 -5.299 1.00 0.00 N ATOM 172 CA ALA A 12 -18.080 2.134 -6.668 1.00 0.00 C ATOM 173 C ALA A 12 -18.398 3.558 -7.127 1.00 0.00 C ATOM 174 O ALA A 12 -17.847 4.032 -8.120 1.00 0.00 O ATOM 175 CB ALA A 12 -19.295 1.208 -6.756 1.00 0.00 C ATOM 0 H ALA A 12 -18.313 2.025 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.317 1.736 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.660 1.183 -7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.009 0.202 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.083 1.578 -6.100 1.00 0.00 H new ATOM 181 N LEU A 13 -19.286 4.202 -6.383 1.00 0.00 N ATOM 182 CA LEU A 13 -19.683 5.562 -6.701 1.00 0.00 C ATOM 183 C LEU A 13 -18.435 6.439 -6.821 1.00 0.00 C ATOM 184 O LEU A 13 -18.177 7.016 -7.877 1.00 0.00 O ATOM 185 CB LEU A 13 -20.700 6.075 -5.679 1.00 0.00 C ATOM 186 CG LEU A 13 -22.042 5.344 -5.641 1.00 0.00 C ATOM 187 CD1 LEU A 13 -23.037 6.067 -4.731 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.598 5.143 -7.052 1.00 0.00 C ATOM 0 H LEU A 13 -19.741 3.806 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.190 5.596 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.250 6.017 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.889 7.129 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.878 4.354 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.983 5.525 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.637 6.113 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.202 7.078 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.553 4.621 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.742 6.113 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.895 4.552 -7.639 1.00 0.00 H new ATOM 199 N ARG A 14 -17.695 6.511 -5.726 1.00 0.00 N ATOM 200 CA ARG A 14 -16.480 7.308 -5.695 1.00 0.00 C ATOM 201 C ARG A 14 -15.349 6.579 -6.423 1.00 0.00 C ATOM 202 O ARG A 14 -14.281 7.149 -6.648 1.00 0.00 O ATOM 203 CB ARG A 14 -16.047 7.597 -4.256 1.00 0.00 C ATOM 204 CG ARG A 14 -16.932 8.672 -3.622 1.00 0.00 C ATOM 205 CD ARG A 14 -18.395 8.488 -4.032 1.00 0.00 C ATOM 206 NE ARG A 14 -19.242 9.486 -3.342 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.374 10.770 -3.737 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.713 11.225 -4.823 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.159 11.575 -3.046 1.00 0.00 N ATOM 0 H ARG A 14 -17.913 6.031 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.691 8.253 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.101 6.682 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.007 7.924 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.846 8.626 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.586 9.660 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.495 8.598 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.728 7.481 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.759 9.185 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.108 10.597 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.819 12.197 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.655 11.224 -2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.270 12.548 -3.331 1.00 0.00 H new ATOM 219 N GLY A 15 -15.620 5.330 -6.773 1.00 0.00 N ATOM 220 CA GLY A 15 -14.639 4.518 -7.472 1.00 0.00 C ATOM 221 C GLY A 15 -13.421 4.247 -6.587 1.00 0.00 C ATOM 222 O GLY A 15 -13.523 4.272 -5.361 1.00 0.00 O ATOM 0 H GLY A 15 -16.506 4.860 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.092 3.573 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.325 5.026 -8.384 1.00 0.00 H new ATOM 226 N ARG A 16 -12.298 3.994 -7.242 1.00 0.00 N ATOM 227 CA ARG A 16 -11.062 3.718 -6.529 1.00 0.00 C ATOM 228 C ARG A 16 -10.642 4.935 -5.703 1.00 0.00 C ATOM 229 O ARG A 16 -10.372 6.000 -6.257 1.00 0.00 O ATOM 230 CB ARG A 16 -9.937 3.354 -7.500 1.00 0.00 C ATOM 231 CG ARG A 16 -9.809 4.401 -8.607 1.00 0.00 C ATOM 232 CD ARG A 16 -8.342 4.754 -8.862 1.00 0.00 C ATOM 233 NE ARG A 16 -8.091 4.858 -10.317 1.00 0.00 N ATOM 234 CZ ARG A 16 -7.086 5.577 -10.862 1.00 0.00 C ATOM 235 NH1 ARG A 16 -6.229 6.262 -10.076 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.956 5.600 -12.175 1.00 0.00 N ATOM 0 H ARG A 16 -12.218 3.974 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.242 2.872 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.995 3.276 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.134 2.376 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.260 4.023 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.360 5.299 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.096 5.697 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.695 3.992 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.716 4.355 -10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.338 6.239 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.473 6.802 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.609 5.080 -12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.203 6.138 -12.604 1.00 0.00 H new ATOM 246 N MET A 17 -10.600 4.737 -4.394 1.00 0.00 N ATOM 247 CA MET A 17 -10.216 5.806 -3.488 1.00 0.00 C ATOM 248 C MET A 17 -9.559 5.245 -2.225 1.00 0.00 C ATOM 249 O MET A 17 -9.491 4.031 -2.044 1.00 0.00 O ATOM 250 CB MET A 17 -11.455 6.617 -3.101 1.00 0.00 C ATOM 251 CG MET A 17 -11.991 7.405 -4.298 1.00 0.00 C ATOM 252 SD MET A 17 -10.860 8.722 -4.715 1.00 0.00 S ATOM 253 CE MET A 17 -11.752 10.118 -4.050 1.00 0.00 C ATOM 0 H MET A 17 -10.825 3.852 -3.939 1.00 0.00 H new ATOM 0 HA MET A 17 -9.495 6.446 -3.997 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.229 5.948 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.207 7.303 -2.291 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.121 6.741 -5.153 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.972 7.817 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.183 11.031 -4.225 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.723 10.196 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.896 9.981 -2.978 1.00 0.00 H new ATOM 261 N GLU A 18 -9.091 6.157 -1.385 1.00 0.00 N ATOM 262 CA GLU A 18 -8.442 5.768 -0.145 1.00 0.00 C ATOM 263 C GLU A 18 -9.474 5.232 0.850 1.00 0.00 C ATOM 264 O GLU A 18 -10.576 5.768 0.955 1.00 0.00 O ATOM 265 CB GLU A 18 -7.659 6.938 0.454 1.00 0.00 C ATOM 266 CG GLU A 18 -7.075 6.566 1.818 1.00 0.00 C ATOM 267 CD GLU A 18 -6.369 5.209 1.760 1.00 0.00 C ATOM 268 OE1 GLU A 18 -5.444 5.026 0.955 1.00 0.00 O ATOM 269 OE2 GLU A 18 -6.813 4.328 2.591 1.00 0.00 O ATOM 0 H GLU A 18 -9.149 7.164 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.731 4.972 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.855 7.227 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.314 7.803 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.370 7.334 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.871 6.535 2.562 1.00 0.00 H new ATOM 275 N ALA A 19 -9.080 4.182 1.555 1.00 0.00 N ATOM 276 CA ALA A 19 -9.956 3.569 2.537 1.00 0.00 C ATOM 277 C ALA A 19 -10.392 4.624 3.555 1.00 0.00 C ATOM 278 O ALA A 19 -11.579 4.756 3.848 1.00 0.00 O ATOM 279 CB ALA A 19 -9.241 2.386 3.192 1.00 0.00 C ATOM 0 H ALA A 19 -8.165 3.740 1.465 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.856 3.181 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.899 1.926 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.980 1.651 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.334 2.736 3.684 1.00 0.00 H new ATOM 285 N ALA A 20 -9.408 5.348 4.068 1.00 0.00 N ATOM 286 CA ALA A 20 -9.674 6.386 5.048 1.00 0.00 C ATOM 287 C ALA A 20 -10.890 7.201 4.603 1.00 0.00 C ATOM 288 O ALA A 20 -11.727 7.573 5.423 1.00 0.00 O ATOM 289 CB ALA A 20 -8.425 7.253 5.226 1.00 0.00 C ATOM 0 H ALA A 20 -8.424 5.236 3.823 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.907 5.947 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.625 8.032 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.597 6.633 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.162 7.712 4.273 1.00 0.00 H new ATOM 295 N GLN A 21 -10.949 7.455 3.303 1.00 0.00 N ATOM 296 CA GLN A 21 -12.048 8.219 2.739 1.00 0.00 C ATOM 297 C GLN A 21 -13.359 7.442 2.874 1.00 0.00 C ATOM 298 O GLN A 21 -14.389 8.013 3.228 1.00 0.00 O ATOM 299 CB GLN A 21 -11.773 8.579 1.278 1.00 0.00 C ATOM 300 CG GLN A 21 -11.332 10.037 1.146 1.00 0.00 C ATOM 301 CD GLN A 21 -12.483 10.916 0.653 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.400 11.578 -0.369 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.560 10.885 1.433 1.00 0.00 N ATOM 0 H GLN A 21 -10.253 7.145 2.625 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.141 9.151 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.999 7.924 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.671 8.412 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.978 10.402 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.494 10.106 0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.564 10.309 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.382 11.437 1.189 1.00 0.00 H new ATOM 310 N ILE A 22 -13.278 6.151 2.585 1.00 0.00 N ATOM 311 CA ILE A 22 -14.445 5.290 2.670 1.00 0.00 C ATOM 312 C ILE A 22 -14.958 5.275 4.111 1.00 0.00 C ATOM 313 O ILE A 22 -16.141 5.509 4.356 1.00 0.00 O ATOM 314 CB ILE A 22 -14.126 3.900 2.116 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.713 3.977 0.645 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.299 2.942 2.333 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.551 3.026 0.352 1.00 0.00 C ATOM 0 H ILE A 22 -12.422 5.681 2.292 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.252 5.678 2.048 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.276 3.499 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.563 3.725 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.423 4.998 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.047 1.961 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.505 2.854 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.182 3.327 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.277 3.100 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.695 3.296 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.852 2.003 0.577 1.00 0.00 H new ATOM 328 N SER A 23 -14.043 4.997 5.029 1.00 0.00 N ATOM 329 CA SER A 23 -14.389 4.948 6.440 1.00 0.00 C ATOM 330 C SER A 23 -15.031 6.270 6.867 1.00 0.00 C ATOM 331 O SER A 23 -16.050 6.274 7.556 1.00 0.00 O ATOM 332 CB SER A 23 -13.157 4.655 7.298 1.00 0.00 C ATOM 333 OG SER A 23 -12.385 5.827 7.542 1.00 0.00 O ATOM 0 H SER A 23 -13.063 4.803 4.823 1.00 0.00 H new ATOM 0 HA SER A 23 -15.104 4.139 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.471 4.224 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.537 3.910 6.799 1.00 0.00 H new ATOM 0 HG SER A 23 -12.621 6.198 8.418 1.00 0.00 H new ATOM 338 N GLN A 24 -14.409 7.359 6.439 1.00 0.00 N ATOM 339 CA GLN A 24 -14.908 8.683 6.769 1.00 0.00 C ATOM 340 C GLN A 24 -16.375 8.817 6.353 1.00 0.00 C ATOM 341 O GLN A 24 -17.195 9.330 7.112 1.00 0.00 O ATOM 342 CB GLN A 24 -14.051 9.770 6.116 1.00 0.00 C ATOM 343 CG GLN A 24 -13.150 10.451 7.148 1.00 0.00 C ATOM 344 CD GLN A 24 -13.609 11.886 7.415 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.380 12.161 8.319 1.00 0.00 O ATOM 346 NE2 GLN A 24 -13.094 12.783 6.578 1.00 0.00 N ATOM 0 H GLN A 24 -13.565 7.351 5.867 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.844 8.815 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.440 9.331 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.695 10.512 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.162 9.883 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.120 10.455 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.454 12.485 5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.340 13.768 6.672 1.00 0.00 H new ATOM 353 N THR A 25 -16.660 8.347 5.147 1.00 0.00 N ATOM 354 CA THR A 25 -18.012 8.409 4.621 1.00 0.00 C ATOM 355 C THR A 25 -19.020 7.985 5.691 1.00 0.00 C ATOM 356 O THR A 25 -20.111 8.545 5.777 1.00 0.00 O ATOM 357 CB THR A 25 -18.068 7.546 3.358 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.055 8.094 2.518 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.361 7.751 2.566 1.00 0.00 C ATOM 0 H THR A 25 -15.977 7.922 4.520 1.00 0.00 H new ATOM 0 HA THR A 25 -18.284 9.429 4.348 1.00 0.00 H new ATOM 0 HB THR A 25 -17.973 6.495 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.200 7.652 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.350 7.116 1.680 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.215 7.489 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.440 8.795 2.263 1.00 0.00 H new ATOM 367 N LEU A 26 -18.619 6.999 6.480 1.00 0.00 N ATOM 368 CA LEU A 26 -19.473 6.493 7.541 1.00 0.00 C ATOM 369 C LEU A 26 -18.824 6.785 8.895 1.00 0.00 C ATOM 370 O LEU A 26 -18.920 5.979 9.819 1.00 0.00 O ATOM 371 CB LEU A 26 -19.787 5.013 7.316 1.00 0.00 C ATOM 372 CG LEU A 26 -18.783 4.236 6.464 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.764 2.755 6.852 1.00 0.00 C ATOM 374 CD2 LEU A 26 -19.059 4.433 4.972 1.00 0.00 C ATOM 0 H LEU A 26 -17.713 6.537 6.405 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.436 7.004 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.862 4.526 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.767 4.938 6.846 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.788 4.635 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.042 2.225 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.482 2.657 7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.755 2.327 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.330 3.869 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.063 4.079 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.981 5.492 4.724 1.00 0.00 H new ATOM 385 N ASN A 27 -18.178 7.940 8.970 1.00 0.00 N ATOM 386 CA ASN A 27 -17.514 8.348 10.195 1.00 0.00 C ATOM 387 C ASN A 27 -16.843 7.130 10.836 1.00 0.00 C ATOM 388 O ASN A 27 -16.726 7.055 12.059 1.00 0.00 O ATOM 389 CB ASN A 27 -18.514 8.921 11.200 1.00 0.00 C ATOM 390 CG ASN A 27 -17.858 9.985 12.082 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.824 10.545 11.758 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.517 10.232 13.211 1.00 0.00 N ATOM 0 H ASN A 27 -18.101 8.606 8.201 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.780 9.113 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.360 9.356 10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.908 8.119 11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.162 10.927 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.378 9.726 13.420 1.00 0.00 H new ATOM 398 N THR A 28 -16.421 6.210 9.983 1.00 0.00 N ATOM 399 CA THR A 28 -15.766 4.999 10.451 1.00 0.00 C ATOM 400 C THR A 28 -14.274 5.254 10.674 1.00 0.00 C ATOM 401 O THR A 28 -13.662 6.047 9.961 1.00 0.00 O ATOM 402 CB THR A 28 -16.048 3.888 9.439 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.393 3.502 9.713 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.233 2.623 9.717 1.00 0.00 C ATOM 0 H THR A 28 -16.519 6.278 8.970 1.00 0.00 H new ATOM 0 HA THR A 28 -16.159 4.684 11.418 1.00 0.00 H new ATOM 0 HB THR A 28 -15.828 4.248 8.434 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.967 4.296 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.471 1.866 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.170 2.858 9.670 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.477 2.243 10.709 1.00 0.00 H new ATOM 412 N PRO A 29 -13.717 4.548 11.695 1.00 0.00 N ATOM 413 CA PRO A 29 -12.308 4.688 12.021 1.00 0.00 C ATOM 414 C PRO A 29 -11.433 3.965 10.996 1.00 0.00 C ATOM 415 O PRO A 29 -11.713 2.825 10.629 1.00 0.00 O ATOM 416 CB PRO A 29 -12.172 4.122 13.425 1.00 0.00 C ATOM 417 CG PRO A 29 -13.407 3.265 13.651 1.00 0.00 C ATOM 418 CD PRO A 29 -14.412 3.599 12.561 1.00 0.00 C ATOM 0 HA PRO A 29 -11.969 5.723 11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.262 3.529 13.520 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.111 4.921 14.164 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.148 2.207 13.620 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.832 3.461 14.635 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.711 2.707 12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.319 4.035 12.979 1.00 0.00 H new ATOM 423 N GLN A 30 -10.390 4.657 10.562 1.00 0.00 N ATOM 424 CA GLN A 30 -9.472 4.095 9.586 1.00 0.00 C ATOM 425 C GLN A 30 -9.251 2.607 9.861 1.00 0.00 C ATOM 426 O GLN A 30 -9.416 1.776 8.969 1.00 0.00 O ATOM 427 CB GLN A 30 -8.143 4.855 9.583 1.00 0.00 C ATOM 428 CG GLN A 30 -7.733 5.235 8.159 1.00 0.00 C ATOM 429 CD GLN A 30 -7.214 4.015 7.394 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.333 3.298 7.841 1.00 0.00 O ATOM 431 NE2 GLN A 30 -7.806 3.821 6.219 1.00 0.00 N ATOM 0 H GLN A 30 -10.160 5.602 10.869 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.916 4.200 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.233 5.755 10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.367 4.239 10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.586 5.663 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.961 6.004 8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.537 4.459 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.529 3.034 5.632 1.00 0.00 H new ATOM 438 N PRO A 31 -8.872 2.306 11.133 1.00 0.00 N ATOM 439 CA PRO A 31 -8.628 0.932 11.536 1.00 0.00 C ATOM 440 C PRO A 31 -9.943 0.170 11.711 1.00 0.00 C ATOM 441 O PRO A 31 -10.183 -0.429 12.759 1.00 0.00 O ATOM 442 CB PRO A 31 -7.827 1.037 12.824 1.00 0.00 C ATOM 443 CG PRO A 31 -8.049 2.448 13.340 1.00 0.00 C ATOM 444 CD PRO A 31 -8.668 3.264 12.216 1.00 0.00 C ATOM 0 HA PRO A 31 -8.078 0.365 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.161 0.298 13.552 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.769 0.850 12.642 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.705 2.437 14.210 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.105 2.891 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.609 3.717 12.527 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.010 4.077 11.908 1.00 0.00 H new ATOM 449 N MET A 32 -10.760 0.217 10.669 1.00 0.00 N ATOM 450 CA MET A 32 -12.045 -0.463 10.695 1.00 0.00 C ATOM 451 C MET A 32 -12.418 -0.983 9.305 1.00 0.00 C ATOM 452 O MET A 32 -12.872 -2.116 9.164 1.00 0.00 O ATOM 453 CB MET A 32 -13.124 0.505 11.184 1.00 0.00 C ATOM 454 CG MET A 32 -14.247 -0.245 11.904 1.00 0.00 C ATOM 455 SD MET A 32 -13.730 -0.676 13.558 1.00 0.00 S ATOM 456 CE MET A 32 -13.522 -2.438 13.368 1.00 0.00 C ATOM 0 H MET A 32 -10.558 0.715 9.802 1.00 0.00 H new ATOM 0 HA MET A 32 -11.972 -1.313 11.373 1.00 0.00 H new ATOM 0 HB2 MET A 32 -12.681 1.239 11.858 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.534 1.056 10.338 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.142 0.375 11.944 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.508 -1.146 11.349 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.911 -2.947 14.249 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.064 -2.775 12.485 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.463 -2.669 13.253 1.00 0.00 H new ATOM 464 N ILE A 33 -12.211 -0.128 8.314 1.00 0.00 N ATOM 465 CA ILE A 33 -12.521 -0.488 6.940 1.00 0.00 C ATOM 466 C ILE A 33 -11.442 -1.435 6.410 1.00 0.00 C ATOM 467 O ILE A 33 -11.733 -2.334 5.622 1.00 0.00 O ATOM 468 CB ILE A 33 -12.708 0.769 6.087 1.00 0.00 C ATOM 469 CG1 ILE A 33 -13.885 1.605 6.593 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.853 0.410 4.607 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.129 0.736 6.791 1.00 0.00 C ATOM 0 H ILE A 33 -11.833 0.812 8.435 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.469 -1.024 6.891 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.813 1.384 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.617 2.084 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.103 2.401 5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.985 1.321 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.957 -0.111 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.721 -0.236 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.951 1.354 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.408 0.278 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -14.915 -0.044 7.521 1.00 0.00 H new ATOM 482 N ASN A 34 -10.219 -1.202 6.866 1.00 0.00 N ATOM 483 CA ASN A 34 -9.096 -2.024 6.447 1.00 0.00 C ATOM 484 C ASN A 34 -9.431 -3.498 6.690 1.00 0.00 C ATOM 485 O ASN A 34 -9.023 -4.365 5.918 1.00 0.00 O ATOM 486 CB ASN A 34 -7.838 -1.686 7.249 1.00 0.00 C ATOM 487 CG ASN A 34 -7.168 -0.421 6.711 1.00 0.00 C ATOM 488 OD1 ASN A 34 -6.410 -0.449 5.754 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.487 0.685 7.375 1.00 0.00 N ATOM 0 H ASN A 34 -9.982 -0.457 7.521 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.912 -1.832 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.098 -1.546 8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.138 -2.520 7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.091 1.582 7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.128 0.637 8.167 1.00 0.00 H new ATOM 495 N ALA A 35 -10.168 -3.735 7.765 1.00 0.00 N ATOM 496 CA ALA A 35 -10.560 -5.088 8.119 1.00 0.00 C ATOM 497 C ALA A 35 -11.513 -5.633 7.053 1.00 0.00 C ATOM 498 O ALA A 35 -11.345 -6.756 6.580 1.00 0.00 O ATOM 499 CB ALA A 35 -11.186 -5.091 9.515 1.00 0.00 C ATOM 0 H ALA A 35 -10.504 -3.013 8.402 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.689 -5.743 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.480 -6.107 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.460 -4.723 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.065 -4.446 9.521 1.00 0.00 H new ATOM 505 N MET A 36 -12.494 -4.812 6.706 1.00 0.00 N ATOM 506 CA MET A 36 -13.474 -5.199 5.705 1.00 0.00 C ATOM 507 C MET A 36 -12.807 -5.436 4.348 1.00 0.00 C ATOM 508 O MET A 36 -13.018 -6.474 3.723 1.00 0.00 O ATOM 509 CB MET A 36 -14.527 -4.097 5.570 1.00 0.00 C ATOM 510 CG MET A 36 -14.996 -3.615 6.945 1.00 0.00 C ATOM 511 SD MET A 36 -16.765 -3.801 7.086 1.00 0.00 S ATOM 512 CE MET A 36 -17.179 -2.250 7.867 1.00 0.00 C ATOM 0 H MET A 36 -12.631 -3.881 7.100 1.00 0.00 H new ATOM 0 HA MET A 36 -13.946 -6.128 6.025 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.112 -3.259 5.009 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.379 -4.471 5.002 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.498 -4.186 7.729 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.719 -2.570 7.087 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.238 -2.244 8.126 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.584 -2.128 8.772 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.969 -1.430 7.181 1.00 0.00 H new ATOM 520 N LEU A 37 -12.016 -4.458 3.933 1.00 0.00 N ATOM 521 CA LEU A 37 -11.318 -4.547 2.663 1.00 0.00 C ATOM 522 C LEU A 37 -10.515 -5.849 2.618 1.00 0.00 C ATOM 523 O LEU A 37 -10.486 -6.530 1.594 1.00 0.00 O ATOM 524 CB LEU A 37 -10.471 -3.295 2.427 1.00 0.00 C ATOM 525 CG LEU A 37 -11.241 -2.022 2.070 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.521 -0.779 2.596 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.498 -1.941 0.563 1.00 0.00 C ATOM 0 H LEU A 37 -11.843 -3.599 4.455 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.031 -4.581 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.886 -3.102 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.763 -3.505 1.625 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.213 -2.062 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.090 0.111 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.433 -0.841 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.526 -0.720 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.047 -1.027 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.546 -1.934 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.084 -2.804 0.247 1.00 0.00 H new ATOM 538 N GLN A 38 -9.884 -6.157 3.741 1.00 0.00 N ATOM 539 CA GLN A 38 -9.084 -7.365 3.843 1.00 0.00 C ATOM 540 C GLN A 38 -9.936 -8.595 3.527 1.00 0.00 C ATOM 541 O GLN A 38 -9.444 -9.566 2.954 1.00 0.00 O ATOM 542 CB GLN A 38 -8.442 -7.484 5.227 1.00 0.00 C ATOM 543 CG GLN A 38 -6.962 -7.853 5.116 1.00 0.00 C ATOM 544 CD GLN A 38 -6.635 -9.070 5.984 1.00 0.00 C ATOM 545 OE1 GLN A 38 -7.499 -9.693 6.576 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.340 -9.373 6.024 1.00 0.00 N ATOM 0 H GLN A 38 -9.911 -5.590 4.589 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.280 -7.306 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.546 -6.540 5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.966 -8.241 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.713 -8.066 4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.348 -7.007 5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.668 -8.809 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.019 -10.169 6.575 1.00 0.00 H new ATOM 553 N GLN A 39 -11.202 -8.514 3.914 1.00 0.00 N ATOM 554 CA GLN A 39 -12.127 -9.608 3.679 1.00 0.00 C ATOM 555 C GLN A 39 -12.436 -9.732 2.185 1.00 0.00 C ATOM 556 O GLN A 39 -12.411 -10.830 1.631 1.00 0.00 O ATOM 557 CB GLN A 39 -13.411 -9.424 4.490 1.00 0.00 C ATOM 558 CG GLN A 39 -13.766 -10.702 5.253 1.00 0.00 C ATOM 559 CD GLN A 39 -14.733 -10.405 6.401 1.00 0.00 C ATOM 560 OE1 GLN A 39 -14.463 -9.606 7.283 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.871 -11.090 6.341 1.00 0.00 N ATOM 0 H GLN A 39 -11.607 -7.707 4.389 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.655 -10.533 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.287 -8.600 5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.231 -9.154 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.216 -11.424 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.858 -11.159 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.033 -11.743 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.582 -10.962 7.061 1.00 0.00 H new ATOM 568 N LEU A 40 -12.719 -8.590 1.576 1.00 0.00 N ATOM 569 CA LEU A 40 -13.031 -8.556 0.157 1.00 0.00 C ATOM 570 C LEU A 40 -11.846 -9.113 -0.635 1.00 0.00 C ATOM 571 O LEU A 40 -12.031 -9.891 -1.569 1.00 0.00 O ATOM 572 CB LEU A 40 -13.446 -7.146 -0.266 1.00 0.00 C ATOM 573 CG LEU A 40 -14.646 -6.550 0.471 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.669 -5.025 0.339 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.954 -7.186 -0.006 1.00 0.00 C ATOM 0 H LEU A 40 -12.739 -7.681 2.039 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.888 -9.194 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.593 -6.481 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.670 -7.159 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.544 -6.780 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.532 -4.627 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.756 -4.609 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.735 -4.752 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.791 -6.744 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.077 -7.008 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.927 -8.259 0.182 1.00 0.00 H new ATOM 586 N GLU A 41 -10.657 -8.692 -0.233 1.00 0.00 N ATOM 587 CA GLU A 41 -9.442 -9.139 -0.894 1.00 0.00 C ATOM 588 C GLU A 41 -9.386 -10.668 -0.923 1.00 0.00 C ATOM 589 O GLU A 41 -9.156 -11.263 -1.974 1.00 0.00 O ATOM 590 CB GLU A 41 -8.201 -8.558 -0.212 1.00 0.00 C ATOM 591 CG GLU A 41 -6.924 -9.012 -0.921 1.00 0.00 C ATOM 592 CD GLU A 41 -5.914 -9.580 0.080 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.947 -10.783 0.379 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.074 -8.722 0.552 1.00 0.00 O ATOM 0 H GLU A 41 -10.508 -8.046 0.542 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.455 -8.775 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.256 -7.469 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.174 -8.873 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.167 -9.769 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.480 -8.171 -1.453 1.00 0.00 H new ATOM 600 N SER A 42 -9.600 -11.259 0.243 1.00 0.00 N ATOM 601 CA SER A 42 -9.576 -12.706 0.364 1.00 0.00 C ATOM 602 C SER A 42 -10.539 -13.332 -0.649 1.00 0.00 C ATOM 603 O SER A 42 -10.190 -14.296 -1.328 1.00 0.00 O ATOM 604 CB SER A 42 -9.940 -13.146 1.783 1.00 0.00 C ATOM 605 OG SER A 42 -9.344 -14.396 2.123 1.00 0.00 O ATOM 0 H SER A 42 -9.791 -10.761 1.113 1.00 0.00 H new ATOM 0 HA SER A 42 -8.563 -13.050 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.617 -12.385 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.024 -13.225 1.872 1.00 0.00 H new ATOM 0 HG SER A 42 -9.599 -14.642 3.037 1.00 0.00 H new ATOM 610 N MET A 43 -11.730 -12.756 -0.718 1.00 0.00 N ATOM 611 CA MET A 43 -12.745 -13.245 -1.636 1.00 0.00 C ATOM 612 C MET A 43 -12.358 -12.953 -3.087 1.00 0.00 C ATOM 613 O MET A 43 -12.457 -13.825 -3.948 1.00 0.00 O ATOM 614 CB MET A 43 -14.084 -12.577 -1.319 1.00 0.00 C ATOM 615 CG MET A 43 -14.668 -13.111 -0.010 1.00 0.00 C ATOM 616 SD MET A 43 -16.440 -13.275 -0.153 1.00 0.00 S ATOM 617 CE MET A 43 -16.629 -14.993 0.290 1.00 0.00 C ATOM 0 H MET A 43 -12.015 -11.956 -0.154 1.00 0.00 H new ATOM 0 HA MET A 43 -12.830 -14.325 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.948 -11.498 -1.247 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.785 -12.756 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.223 -14.077 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.422 -12.436 0.810 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.684 -15.265 0.252 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.069 -15.613 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.250 -15.152 1.299 1.00 0.00 H new ATOM 625 N GLY A 44 -11.927 -11.720 -3.314 1.00 0.00 N ATOM 626 CA GLY A 44 -11.525 -11.301 -4.646 1.00 0.00 C ATOM 627 C GLY A 44 -12.594 -10.414 -5.287 1.00 0.00 C ATOM 628 O GLY A 44 -12.948 -10.605 -6.449 1.00 0.00 O ATOM 0 H GLY A 44 -11.848 -10.998 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.582 -10.758 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.352 -12.178 -5.270 1.00 0.00 H new ATOM 632 N LYS A 45 -13.077 -9.463 -4.502 1.00 0.00 N ATOM 633 CA LYS A 45 -14.097 -8.545 -4.978 1.00 0.00 C ATOM 634 C LYS A 45 -13.451 -7.202 -5.321 1.00 0.00 C ATOM 635 O LYS A 45 -13.616 -6.693 -6.429 1.00 0.00 O ATOM 636 CB LYS A 45 -15.237 -8.437 -3.964 1.00 0.00 C ATOM 637 CG LYS A 45 -15.478 -9.778 -3.265 1.00 0.00 C ATOM 638 CD LYS A 45 -15.990 -10.827 -4.254 1.00 0.00 C ATOM 639 CE LYS A 45 -17.174 -11.599 -3.670 1.00 0.00 C ATOM 640 NZ LYS A 45 -18.443 -11.138 -4.277 1.00 0.00 N ATOM 0 H LYS A 45 -12.780 -9.308 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.550 -8.924 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.998 -7.674 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.148 -8.117 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.552 -10.126 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.202 -9.648 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.290 -10.341 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.186 -11.520 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.044 -12.666 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.209 -11.460 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.237 -11.672 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.572 -10.124 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.413 -11.293 -5.305 1.00 0.00 H new ATOM 649 N ALA A 46 -12.726 -6.666 -4.350 1.00 0.00 N ATOM 650 CA ALA A 46 -12.053 -5.391 -4.534 1.00 0.00 C ATOM 651 C ALA A 46 -10.598 -5.641 -4.938 1.00 0.00 C ATOM 652 O ALA A 46 -10.123 -6.774 -4.888 1.00 0.00 O ATOM 653 CB ALA A 46 -12.170 -4.562 -3.255 1.00 0.00 C ATOM 0 H ALA A 46 -12.590 -7.092 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.524 -4.820 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.665 -3.606 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.222 -4.387 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.706 -5.101 -2.429 1.00 0.00 H new ATOM 659 N VAL A 47 -9.932 -4.564 -5.327 1.00 0.00 N ATOM 660 CA VAL A 47 -8.541 -4.653 -5.738 1.00 0.00 C ATOM 661 C VAL A 47 -7.745 -3.531 -5.070 1.00 0.00 C ATOM 662 O VAL A 47 -8.312 -2.517 -4.667 1.00 0.00 O ATOM 663 CB VAL A 47 -8.444 -4.628 -7.265 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.083 -5.877 -7.875 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.075 -3.356 -7.834 1.00 0.00 C ATOM 0 H VAL A 47 -10.329 -3.625 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.106 -5.598 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.388 -4.627 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.001 -5.834 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.570 -6.765 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.135 -5.923 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.992 -3.364 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.127 -3.313 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.556 -2.483 -7.437 1.00 0.00 H new ATOM 675 N ARG A 48 -6.441 -3.750 -4.973 1.00 0.00 N ATOM 676 CA ARG A 48 -5.560 -2.770 -4.361 1.00 0.00 C ATOM 677 C ARG A 48 -5.013 -1.812 -5.422 1.00 0.00 C ATOM 678 O ARG A 48 -4.649 -2.236 -6.518 1.00 0.00 O ATOM 679 CB ARG A 48 -4.391 -3.450 -3.646 1.00 0.00 C ATOM 680 CG ARG A 48 -3.616 -2.448 -2.788 1.00 0.00 C ATOM 681 CD ARG A 48 -4.241 -2.318 -1.397 1.00 0.00 C ATOM 682 NE ARG A 48 -3.188 -2.406 -0.359 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.481 -3.525 -0.092 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.708 -4.661 -0.784 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.565 -3.490 0.857 1.00 0.00 N ATOM 0 H ARG A 48 -5.974 -4.592 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.143 -2.212 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.765 -4.259 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.722 -3.899 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.578 -2.769 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.606 -1.475 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.767 -1.367 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.979 -3.106 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.984 -1.570 0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.418 -4.679 -1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.169 -5.502 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.400 -2.627 1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.021 -4.326 1.072 1.00 0.00 H new ATOM 695 N ILE A 49 -4.971 -0.539 -5.060 1.00 0.00 N ATOM 696 CA ILE A 49 -4.474 0.482 -5.966 1.00 0.00 C ATOM 697 C ILE A 49 -3.278 1.190 -5.324 1.00 0.00 C ATOM 698 O ILE A 49 -3.223 1.341 -4.105 1.00 0.00 O ATOM 699 CB ILE A 49 -5.602 1.430 -6.375 1.00 0.00 C ATOM 700 CG1 ILE A 49 -6.652 0.702 -7.216 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.049 2.664 -7.091 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.668 -0.015 -6.325 1.00 0.00 C ATOM 0 H ILE A 49 -5.273 -0.191 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.118 0.029 -6.891 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.100 1.779 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.167 1.416 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.163 -0.020 -7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.872 3.322 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.369 3.197 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.511 2.354 -7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.403 -0.524 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.153 -0.745 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.173 0.713 -5.690 1.00 0.00 H new ATOM 713 N GLN A 50 -2.350 1.604 -6.175 1.00 0.00 N ATOM 714 CA GLN A 50 -1.159 2.291 -5.706 1.00 0.00 C ATOM 715 C GLN A 50 -1.206 3.767 -6.107 1.00 0.00 C ATOM 716 O GLN A 50 -1.826 4.122 -7.108 1.00 0.00 O ATOM 717 CB GLN A 50 0.108 1.618 -6.238 1.00 0.00 C ATOM 718 CG GLN A 50 1.350 2.447 -5.906 1.00 0.00 C ATOM 719 CD GLN A 50 2.613 1.584 -5.951 1.00 0.00 C ATOM 720 OE1 GLN A 50 3.036 1.112 -6.992 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.188 1.407 -4.765 1.00 0.00 N ATOM 0 H GLN A 50 -2.399 1.477 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.133 2.231 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.204 0.622 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.030 1.490 -7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.442 3.270 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.242 2.889 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.780 1.832 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.037 0.847 -4.688 1.00 0.00 H new ATOM 728 N GLU A 51 -0.542 4.586 -5.305 1.00 0.00 N ATOM 729 CA GLU A 51 -0.500 6.015 -5.565 1.00 0.00 C ATOM 730 C GLU A 51 0.924 6.448 -5.924 1.00 0.00 C ATOM 731 O GLU A 51 1.870 5.678 -5.764 1.00 0.00 O ATOM 732 CB GLU A 51 -1.026 6.805 -4.365 1.00 0.00 C ATOM 733 CG GLU A 51 -2.348 7.498 -4.703 1.00 0.00 C ATOM 734 CD GLU A 51 -2.381 8.921 -4.140 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.543 9.103 -2.925 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.229 9.856 -5.015 1.00 0.00 O ATOM 0 H GLU A 51 -0.029 4.288 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.149 6.230 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.169 6.134 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.288 7.548 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.481 7.528 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.179 6.922 -4.295 1.00 0.00 H new ATOM 975 N ARG A 72 0.257 5.030 0.257 1.00 0.00 N ATOM 976 CA ARG A 72 -1.135 4.865 0.638 1.00 0.00 C ATOM 977 C ARG A 72 -1.921 4.204 -0.497 1.00 0.00 C ATOM 978 O ARG A 72 -2.512 4.890 -1.329 1.00 0.00 O ATOM 979 CB ARG A 72 -1.777 6.212 0.975 1.00 0.00 C ATOM 980 CG ARG A 72 -1.877 6.408 2.489 1.00 0.00 C ATOM 981 CD ARG A 72 -3.317 6.705 2.910 1.00 0.00 C ATOM 982 NE ARG A 72 -3.425 8.098 3.398 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.953 8.522 4.589 1.00 0.00 C ATOM 984 NH1 ARG A 72 -2.335 7.663 5.426 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.105 9.791 4.923 1.00 0.00 N ATOM 0 HA ARG A 72 -1.163 4.230 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.188 7.019 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.771 6.266 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.523 5.512 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.228 7.228 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.990 6.554 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.626 6.012 3.692 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.885 8.781 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.222 6.685 5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.981 7.992 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.573 10.434 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.754 10.128 5.820 1.00 0.00 H new ATOM 995 N GLU A 73 -1.902 2.879 -0.493 1.00 0.00 N ATOM 996 CA GLU A 73 -2.605 2.118 -1.512 1.00 0.00 C ATOM 997 C GLU A 73 -4.111 2.378 -1.424 1.00 0.00 C ATOM 998 O GLU A 73 -4.692 2.322 -0.342 1.00 0.00 O ATOM 999 CB GLU A 73 -2.299 0.624 -1.388 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.794 0.364 -1.476 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.309 -0.456 -0.278 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -0.373 0.020 0.865 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.148 -1.627 -0.568 1.00 0.00 O ATOM 0 H GLU A 73 -1.411 2.313 0.199 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.255 2.448 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.682 0.248 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.813 0.077 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.566 -0.166 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.259 1.313 -1.513 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.698 2.659 -2.578 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.124 2.928 -2.645 1.00 0.00 C ATOM 1011 C TRP A 74 -6.846 1.597 -2.866 1.00 0.00 C ATOM 1012 O TRP A 74 -6.222 0.600 -3.223 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.436 3.964 -3.728 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.999 5.386 -3.372 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.680 5.874 -2.165 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.844 6.492 -4.286 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.334 7.207 -2.234 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.437 7.596 -3.564 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.044 6.558 -5.676 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.192 8.845 -4.147 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.795 7.814 -6.243 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.384 8.934 -5.531 1.00 0.00 C ATOM 0 H TRP A 74 -4.212 2.706 -3.474 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.478 3.366 -1.712 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.946 3.665 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.509 3.962 -3.920 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.692 5.296 -1.253 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.054 7.799 -1.452 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.364 5.708 -6.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.872 9.694 -3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -5.932 7.919 -7.309 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.213 9.869 -6.043 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.152 1.626 -2.644 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.966 0.434 -2.814 1.00 0.00 C ATOM 1034 C TRP A 75 -10.045 0.743 -3.854 1.00 0.00 C ATOM 1035 O TRP A 75 -10.468 1.890 -3.993 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.542 -0.032 -1.475 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.498 -0.602 -0.513 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.848 0.034 0.471 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -8.006 -1.958 -0.484 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.977 -0.810 1.130 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.076 -2.060 0.531 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.335 -3.063 -1.288 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.399 -3.247 0.835 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.651 -4.243 -0.972 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.712 -4.361 0.046 1.00 0.00 C ATOM 0 H TRP A 75 -8.666 2.456 -2.348 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.362 -0.398 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.043 0.808 -0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.301 -0.791 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.988 1.076 0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.372 -0.562 1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.059 -3.006 -2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.675 -3.301 1.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.868 -5.123 -1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.226 -5.308 0.228 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.460 -0.301 -4.557 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.482 -0.155 -5.580 1.00 0.00 C ATOM 1057 C ALA A 76 -12.214 -1.487 -5.757 1.00 0.00 C ATOM 1058 O ALA A 76 -11.836 -2.491 -5.156 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.838 0.334 -6.879 1.00 0.00 C ATOM 0 H ALA A 76 -10.107 -1.251 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.220 0.590 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.604 0.444 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.357 1.297 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.093 -0.389 -7.211 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.247 -1.452 -6.585 1.00 0.00 N ATOM 1066 CA LEU A 77 -14.036 -2.644 -6.849 1.00 0.00 C ATOM 1067 C LEU A 77 -13.577 -3.272 -8.167 1.00 0.00 C ATOM 1068 O LEU A 77 -13.030 -2.586 -9.028 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.529 -2.318 -6.810 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.998 -1.455 -5.637 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.501 -1.183 -5.722 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.604 -2.087 -4.300 1.00 0.00 C ATOM 0 H LEU A 77 -13.557 -0.617 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.876 -3.388 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.794 -1.810 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.085 -3.256 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.493 -0.491 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.808 -0.568 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.724 -0.659 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.044 -2.128 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.949 -1.454 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.062 -3.072 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.520 -2.186 -4.250 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.817 -4.570 -8.282 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.435 -5.299 -9.479 1.00 0.00 C ATOM 1085 C ARG A 78 -14.590 -5.314 -10.482 1.00 0.00 C ATOM 1086 O ARG A 78 -14.678 -4.445 -11.347 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.038 -6.738 -9.146 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.379 -7.417 -10.348 1.00 0.00 C ATOM 1089 CD ARG A 78 -10.955 -6.898 -10.558 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.625 -6.897 -12.001 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.387 -6.675 -12.494 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.352 -6.433 -11.662 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.206 -6.698 -13.801 1.00 0.00 N ATOM 0 H ARG A 78 -14.272 -5.136 -7.565 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.576 -4.791 -9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.351 -6.743 -8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.921 -7.302 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.358 -8.496 -10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.972 -7.234 -11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.863 -5.889 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.247 -7.524 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.379 -7.075 -12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.502 -6.417 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.420 -6.266 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.994 -6.881 -14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.278 -6.532 -14.190 1.00 0.00 H new