USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 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 43 MET CE :methyl -178:sc= -0.0326 (180deg=0) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 151:sc= -1.01 (180deg=-2.08!) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.672 K(o=-1,f=-0.049) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.354 K(o=-1,f=-0.049) USER MOD Set 3.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 6 GLN : amide:sc= -4.19! C(o=-4.2!,f=-2.7!) USER MOD Single : A 23 SER OG : rot 97:sc= 0.884 USER MOD Single : A 24 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.35) USER MOD Single : A 25 THR OG1 : rot 92:sc= 0.217 USER MOD Single : A 27 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1.6!) USER MOD Single : A 28 THR OG1 : rot 47:sc= -0.766! USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -163:sc= -0.0121 (180deg=-0.278) USER MOD Single : A 38 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.00065) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.998 -3.156 4.385 1.00 0.00 N ATOM 37 CA LEU A 4 -20.108 -3.344 3.252 1.00 0.00 C ATOM 38 C LEU A 4 -20.672 -2.601 2.038 1.00 0.00 C ATOM 39 O LEU A 4 -19.920 -2.021 1.257 1.00 0.00 O ATOM 40 CB LEU A 4 -19.865 -4.834 3.002 1.00 0.00 C ATOM 41 CG LEU A 4 -18.439 -5.331 3.247 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.420 -4.456 2.515 1.00 0.00 C ATOM 43 CD2 LEU A 4 -18.142 -5.426 4.746 1.00 0.00 C ATOM 0 HA LEU A 4 -19.128 -2.916 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.542 -5.404 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.134 -5.058 1.970 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.352 -6.337 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.415 -4.831 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.620 -4.483 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.498 -3.429 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.122 -5.782 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.252 -4.442 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.840 -6.122 5.212 1.00 0.00 H new ATOM 54 N ILE A 5 -21.991 -2.644 1.918 1.00 0.00 N ATOM 55 CA ILE A 5 -22.664 -1.983 0.814 1.00 0.00 C ATOM 56 C ILE A 5 -22.235 -0.515 0.767 1.00 0.00 C ATOM 57 O ILE A 5 -21.997 0.031 -0.309 1.00 0.00 O ATOM 58 CB ILE A 5 -24.178 -2.179 0.914 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.522 -3.632 1.245 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.879 -1.699 -0.359 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.662 -4.599 0.428 1.00 0.00 C ATOM 0 H ILE A 5 -22.611 -3.127 2.568 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.371 -2.432 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.548 -1.566 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.368 -3.813 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.577 -3.816 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.954 -1.850 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.673 -0.639 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.509 -2.266 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.927 -5.625 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.837 -4.432 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.609 -4.429 0.654 1.00 0.00 H new ATOM 72 N GLN A 6 -22.150 0.082 1.947 1.00 0.00 N ATOM 73 CA GLN A 6 -21.755 1.476 2.053 1.00 0.00 C ATOM 74 C GLN A 6 -20.374 1.685 1.428 1.00 0.00 C ATOM 75 O GLN A 6 -20.188 2.588 0.613 1.00 0.00 O ATOM 76 CB GLN A 6 -21.773 1.941 3.511 1.00 0.00 C ATOM 77 CG GLN A 6 -23.019 2.778 3.804 1.00 0.00 C ATOM 78 CD GLN A 6 -22.688 3.947 4.733 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.145 4.025 5.862 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.870 4.849 4.198 1.00 0.00 N ATOM 0 H GLN A 6 -22.348 -0.374 2.838 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.476 2.081 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.748 1.075 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.879 2.528 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.435 3.157 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.784 2.150 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.524 4.723 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.589 5.667 4.739 1.00 0.00 H new ATOM 87 N VAL A 7 -19.441 0.836 1.834 1.00 0.00 N ATOM 88 CA VAL A 7 -18.083 0.917 1.323 1.00 0.00 C ATOM 89 C VAL A 7 -18.072 0.512 -0.152 1.00 0.00 C ATOM 90 O VAL A 7 -17.460 1.185 -0.979 1.00 0.00 O ATOM 91 CB VAL A 7 -17.149 0.065 2.184 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.754 -0.020 1.562 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.078 0.604 3.615 1.00 0.00 C ATOM 0 H VAL A 7 -19.599 0.089 2.511 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.714 1.941 1.381 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.560 -0.944 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.110 -0.631 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.824 -0.471 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.332 0.981 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.407 -0.020 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.703 1.627 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -18.073 0.589 4.059 1.00 0.00 H new ATOM 103 N ARG A 8 -18.757 -0.587 -0.436 1.00 0.00 N ATOM 104 CA ARG A 8 -18.834 -1.090 -1.797 1.00 0.00 C ATOM 105 C ARG A 8 -19.429 -0.027 -2.723 1.00 0.00 C ATOM 106 O ARG A 8 -18.857 0.283 -3.766 1.00 0.00 O ATOM 107 CB ARG A 8 -19.689 -2.356 -1.868 1.00 0.00 C ATOM 108 CG ARG A 8 -18.932 -3.562 -1.310 1.00 0.00 C ATOM 109 CD ARG A 8 -19.323 -4.845 -2.047 1.00 0.00 C ATOM 110 NE ARG A 8 -20.243 -5.648 -1.211 1.00 0.00 N ATOM 111 CZ ARG A 8 -21.061 -6.607 -1.693 1.00 0.00 C ATOM 112 NH1 ARG A 8 -21.081 -6.891 -3.012 1.00 0.00 N ATOM 113 NH2 ARG A 8 -21.841 -7.264 -0.854 1.00 0.00 N ATOM 0 H ARG A 8 -19.263 -1.143 0.253 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.821 -1.331 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.611 -2.209 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.975 -2.548 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.859 -3.397 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.146 -3.670 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.801 -4.598 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.431 -5.426 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.260 -5.465 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.475 -6.379 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.702 -7.617 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.819 -7.044 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.465 -7.992 -1.202 1.00 0.00 H new ATOM 123 N ASP A 9 -20.571 0.502 -2.306 1.00 0.00 N ATOM 124 CA ASP A 9 -21.249 1.523 -3.085 1.00 0.00 C ATOM 125 C ASP A 9 -20.299 2.700 -3.316 1.00 0.00 C ATOM 126 O ASP A 9 -20.114 3.139 -4.450 1.00 0.00 O ATOM 127 CB ASP A 9 -22.483 2.050 -2.348 1.00 0.00 C ATOM 128 CG ASP A 9 -23.497 2.784 -3.226 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.871 2.304 -4.307 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.914 3.909 -2.754 1.00 0.00 O ATOM 0 H ASP A 9 -21.043 0.242 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.556 1.075 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.984 1.212 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.155 2.724 -1.557 1.00 0.00 H new ATOM 135 N LEU A 10 -19.720 3.175 -2.223 1.00 0.00 N ATOM 136 CA LEU A 10 -18.793 4.291 -2.292 1.00 0.00 C ATOM 137 C LEU A 10 -17.611 3.912 -3.187 1.00 0.00 C ATOM 138 O LEU A 10 -17.265 4.649 -4.109 1.00 0.00 O ATOM 139 CB LEU A 10 -18.382 4.734 -0.886 1.00 0.00 C ATOM 140 CG LEU A 10 -18.992 6.048 -0.393 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.614 7.208 -1.315 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.508 5.920 -0.224 1.00 0.00 C ATOM 0 H LEU A 10 -19.875 2.807 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.273 5.157 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.652 3.945 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.296 4.827 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.576 6.270 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.060 8.130 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.529 7.314 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.982 7.008 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.916 6.868 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.960 5.663 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.728 5.138 0.503 1.00 0.00 H new ATOM 153 N LEU A 11 -17.023 2.763 -2.882 1.00 0.00 N ATOM 154 CA LEU A 11 -15.888 2.279 -3.648 1.00 0.00 C ATOM 155 C LEU A 11 -16.269 2.205 -5.128 1.00 0.00 C ATOM 156 O LEU A 11 -15.405 2.273 -6.000 1.00 0.00 O ATOM 157 CB LEU A 11 -15.385 0.951 -3.076 1.00 0.00 C ATOM 158 CG LEU A 11 -14.304 1.053 -1.998 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.747 -0.328 -1.647 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.199 2.025 -2.418 1.00 0.00 C ATOM 0 H LEU A 11 -17.312 2.155 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.051 2.973 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.236 0.412 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.996 0.348 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.762 1.456 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.981 -0.227 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.552 -0.961 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.311 -0.781 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.444 2.078 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.738 1.675 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.627 3.015 -2.578 1.00 0.00 H new ATOM 171 N ALA A 12 -17.566 2.066 -5.366 1.00 0.00 N ATOM 172 CA ALA A 12 -18.072 1.983 -6.724 1.00 0.00 C ATOM 173 C ALA A 12 -18.329 3.394 -7.257 1.00 0.00 C ATOM 174 O ALA A 12 -17.749 3.797 -8.264 1.00 0.00 O ATOM 175 CB ALA A 12 -19.331 1.113 -6.748 1.00 0.00 C ATOM 0 H ALA A 12 -18.280 2.009 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.338 1.513 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.711 1.051 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.089 0.113 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.091 1.555 -6.104 1.00 0.00 H new ATOM 181 N LEU A 13 -19.198 4.107 -6.556 1.00 0.00 N ATOM 182 CA LEU A 13 -19.539 5.465 -6.946 1.00 0.00 C ATOM 183 C LEU A 13 -18.267 6.315 -6.977 1.00 0.00 C ATOM 184 O LEU A 13 -17.905 6.857 -8.021 1.00 0.00 O ATOM 185 CB LEU A 13 -20.632 6.026 -6.032 1.00 0.00 C ATOM 186 CG LEU A 13 -22.069 5.648 -6.397 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.194 4.144 -6.644 1.00 0.00 C ATOM 188 CD2 LEU A 13 -23.051 6.136 -5.330 1.00 0.00 C ATOM 0 H LEU A 13 -19.676 3.770 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 13 -19.958 5.480 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.436 5.689 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.553 7.113 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.328 6.150 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.225 3.902 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -21.537 3.854 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.909 3.602 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.065 5.855 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.802 5.681 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.986 7.221 -5.244 1.00 0.00 H new ATOM 199 N ARG A 14 -17.625 6.407 -5.822 1.00 0.00 N ATOM 200 CA ARG A 14 -16.403 7.182 -5.705 1.00 0.00 C ATOM 201 C ARG A 14 -15.246 6.457 -6.397 1.00 0.00 C ATOM 202 O ARG A 14 -14.162 7.018 -6.552 1.00 0.00 O ATOM 203 CB ARG A 14 -16.040 7.421 -4.238 1.00 0.00 C ATOM 204 CG ARG A 14 -16.896 8.537 -3.637 1.00 0.00 C ATOM 205 CD ARG A 14 -18.323 8.489 -4.184 1.00 0.00 C ATOM 206 NE ARG A 14 -19.174 9.465 -3.466 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.287 10.026 -3.985 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.692 9.713 -5.235 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.971 10.886 -3.254 1.00 0.00 N ATOM 0 H ARG A 14 -17.929 5.957 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.574 8.145 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.183 6.502 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.985 7.684 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.916 8.440 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.449 9.505 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.320 8.712 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.731 7.485 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.902 9.730 -2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.156 9.049 -5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.534 10.141 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.657 11.118 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.814 11.319 -3.631 1.00 0.00 H new ATOM 219 N GLY A 15 -15.517 5.223 -6.794 1.00 0.00 N ATOM 220 CA GLY A 15 -14.512 4.415 -7.465 1.00 0.00 C ATOM 221 C GLY A 15 -13.311 4.162 -6.552 1.00 0.00 C ATOM 222 O GLY A 15 -13.475 3.916 -5.359 1.00 0.00 O ATOM 0 H GLY A 15 -16.418 4.762 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.949 3.464 -7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.183 4.919 -8.374 1.00 0.00 H new ATOM 226 N ARG A 16 -12.130 4.232 -7.148 1.00 0.00 N ATOM 227 CA ARG A 16 -10.902 4.014 -6.404 1.00 0.00 C ATOM 228 C ARG A 16 -10.688 5.141 -5.391 1.00 0.00 C ATOM 229 O ARG A 16 -10.608 6.310 -5.766 1.00 0.00 O ATOM 230 CB ARG A 16 -9.694 3.942 -7.340 1.00 0.00 C ATOM 231 CG ARG A 16 -9.670 5.137 -8.296 1.00 0.00 C ATOM 232 CD ARG A 16 -8.246 5.665 -8.479 1.00 0.00 C ATOM 233 NE ARG A 16 -8.022 6.034 -9.895 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.575 7.109 -10.494 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.392 7.933 -9.803 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.305 7.344 -11.764 1.00 0.00 N ATOM 0 H ARG A 16 -11.998 4.437 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.997 3.063 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.775 3.922 -6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.727 3.015 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.079 4.842 -9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.309 5.930 -7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.086 6.532 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.526 4.906 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.411 5.438 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.595 7.745 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.806 8.744 -10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.686 6.717 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.715 8.153 -12.231 1.00 0.00 H new ATOM 246 N MET A 17 -10.599 4.749 -4.128 1.00 0.00 N ATOM 247 CA MET A 17 -10.396 5.713 -3.060 1.00 0.00 C ATOM 248 C MET A 17 -9.870 5.027 -1.796 1.00 0.00 C ATOM 249 O MET A 17 -10.204 3.874 -1.528 1.00 0.00 O ATOM 250 CB MET A 17 -11.718 6.416 -2.747 1.00 0.00 C ATOM 251 CG MET A 17 -11.491 7.640 -1.857 1.00 0.00 C ATOM 252 SD MET A 17 -11.896 9.129 -2.754 1.00 0.00 S ATOM 253 CE MET A 17 -10.298 9.924 -2.773 1.00 0.00 C ATOM 0 H MET A 17 -10.664 3.778 -3.821 1.00 0.00 H new ATOM 0 HA MET A 17 -9.657 6.443 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.200 6.722 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.395 5.721 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.106 7.567 -0.960 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.452 7.674 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.371 10.876 -3.299 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.967 10.100 -1.749 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.579 9.283 -3.282 1.00 0.00 H new ATOM 261 N GLU A 18 -9.057 5.766 -1.056 1.00 0.00 N ATOM 262 CA GLU A 18 -8.483 5.244 0.172 1.00 0.00 C ATOM 263 C GLU A 18 -9.586 4.942 1.188 1.00 0.00 C ATOM 264 O GLU A 18 -10.654 5.549 1.148 1.00 0.00 O ATOM 265 CB GLU A 18 -7.453 6.215 0.753 1.00 0.00 C ATOM 266 CG GLU A 18 -6.631 5.549 1.856 1.00 0.00 C ATOM 267 CD GLU A 18 -5.638 4.542 1.268 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.052 3.567 0.624 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.396 4.803 1.499 1.00 0.00 O ATOM 0 H GLU A 18 -8.782 6.722 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.965 4.313 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.790 6.564 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.961 7.093 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.092 6.309 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.297 5.043 2.555 1.00 0.00 H new ATOM 275 N ALA A 19 -9.289 4.003 2.075 1.00 0.00 N ATOM 276 CA ALA A 19 -10.242 3.612 3.100 1.00 0.00 C ATOM 277 C ALA A 19 -10.509 4.805 4.022 1.00 0.00 C ATOM 278 O ALA A 19 -11.655 5.066 4.388 1.00 0.00 O ATOM 279 CB ALA A 19 -9.707 2.397 3.859 1.00 0.00 C ATOM 0 H ALA A 19 -8.401 3.501 2.105 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.192 3.322 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.422 2.104 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.561 1.569 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.755 2.650 4.326 1.00 0.00 H new ATOM 285 N ALA A 20 -9.434 5.495 4.370 1.00 0.00 N ATOM 286 CA ALA A 20 -9.538 6.652 5.242 1.00 0.00 C ATOM 287 C ALA A 20 -10.724 7.513 4.802 1.00 0.00 C ATOM 288 O ALA A 20 -11.453 8.047 5.638 1.00 0.00 O ATOM 289 CB ALA A 20 -8.219 7.427 5.222 1.00 0.00 C ATOM 0 H ALA A 20 -8.486 5.275 4.064 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.719 6.341 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.297 8.295 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.413 6.782 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.006 7.757 4.205 1.00 0.00 H new ATOM 295 N GLN A 21 -10.883 7.619 3.491 1.00 0.00 N ATOM 296 CA GLN A 21 -11.969 8.405 2.930 1.00 0.00 C ATOM 297 C GLN A 21 -13.293 7.649 3.061 1.00 0.00 C ATOM 298 O GLN A 21 -14.277 8.195 3.560 1.00 0.00 O ATOM 299 CB GLN A 21 -11.687 8.768 1.471 1.00 0.00 C ATOM 300 CG GLN A 21 -10.996 10.128 1.368 1.00 0.00 C ATOM 301 CD GLN A 21 -11.985 11.215 0.941 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.735 12.000 0.042 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.119 11.217 1.636 1.00 0.00 N ATOM 0 H GLN A 21 -10.278 7.174 2.801 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.046 9.335 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.059 8.002 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.622 8.788 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.555 10.390 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.179 10.071 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.264 10.531 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.843 11.905 1.428 1.00 0.00 H new ATOM 310 N ILE A 22 -13.276 6.406 2.604 1.00 0.00 N ATOM 311 CA ILE A 22 -14.463 5.570 2.663 1.00 0.00 C ATOM 312 C ILE A 22 -14.968 5.510 4.106 1.00 0.00 C ATOM 313 O ILE A 22 -16.134 5.797 4.372 1.00 0.00 O ATOM 314 CB ILE A 22 -14.181 4.195 2.052 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.048 4.288 0.531 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.246 3.180 2.474 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.743 3.646 0.055 1.00 0.00 C ATOM 0 H ILE A 22 -12.459 5.957 2.191 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.264 6.002 2.062 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.226 3.839 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.895 3.792 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.077 5.333 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.023 2.211 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.249 3.086 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.225 3.519 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.673 3.725 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.897 4.160 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.728 2.595 0.343 1.00 0.00 H new ATOM 328 N SER A 23 -14.065 5.135 5.000 1.00 0.00 N ATOM 329 CA SER A 23 -14.404 5.034 6.409 1.00 0.00 C ATOM 330 C SER A 23 -15.004 6.354 6.899 1.00 0.00 C ATOM 331 O SER A 23 -16.008 6.358 7.608 1.00 0.00 O ATOM 332 CB SER A 23 -13.177 4.666 7.246 1.00 0.00 C ATOM 333 OG SER A 23 -12.382 5.807 7.557 1.00 0.00 O ATOM 0 H SER A 23 -13.099 4.897 4.776 1.00 0.00 H new ATOM 0 HA SER A 23 -15.142 4.241 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.499 4.186 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.572 3.940 6.703 1.00 0.00 H new ATOM 0 HG SER A 23 -12.610 6.130 8.454 1.00 0.00 H new ATOM 338 N GLN A 24 -14.362 7.443 6.501 1.00 0.00 N ATOM 339 CA GLN A 24 -14.821 8.765 6.890 1.00 0.00 C ATOM 340 C GLN A 24 -16.289 8.954 6.504 1.00 0.00 C ATOM 341 O GLN A 24 -17.084 9.456 7.297 1.00 0.00 O ATOM 342 CB GLN A 24 -13.945 9.854 6.267 1.00 0.00 C ATOM 343 CG GLN A 24 -13.011 10.471 7.310 1.00 0.00 C ATOM 344 CD GLN A 24 -13.406 11.918 7.612 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.705 12.705 6.729 1.00 0.00 O ATOM 346 NE2 GLN A 24 -13.391 12.224 8.906 1.00 0.00 N ATOM 0 H GLN A 24 -13.528 7.436 5.913 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.738 8.853 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.357 9.431 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.576 10.630 5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.044 9.882 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.984 10.439 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.131 11.517 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.640 13.165 9.210 1.00 0.00 H new ATOM 353 N THR A 25 -16.604 8.542 5.284 1.00 0.00 N ATOM 354 CA THR A 25 -17.963 8.660 4.783 1.00 0.00 C ATOM 355 C THR A 25 -18.965 8.206 5.846 1.00 0.00 C ATOM 356 O THR A 25 -20.040 8.787 5.980 1.00 0.00 O ATOM 357 CB THR A 25 -18.056 7.863 3.479 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.046 8.432 2.651 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.356 8.133 2.720 1.00 0.00 C ATOM 0 H THR A 25 -15.942 8.127 4.629 1.00 0.00 H new ATOM 0 HA THR A 25 -18.216 9.698 4.566 1.00 0.00 H new ATOM 0 HB THR A 25 -17.978 6.798 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.209 7.936 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.371 7.543 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.206 7.856 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.419 9.192 2.471 1.00 0.00 H new ATOM 367 N LEU A 26 -18.576 7.170 6.576 1.00 0.00 N ATOM 368 CA LEU A 26 -19.427 6.631 7.623 1.00 0.00 C ATOM 369 C LEU A 26 -18.766 6.865 8.983 1.00 0.00 C ATOM 370 O LEU A 26 -18.878 6.034 9.883 1.00 0.00 O ATOM 371 CB LEU A 26 -19.756 5.163 7.343 1.00 0.00 C ATOM 372 CG LEU A 26 -18.753 4.405 6.472 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.734 2.917 6.826 1.00 0.00 C ATOM 374 CD2 LEU A 26 -19.031 4.637 4.986 1.00 0.00 C ATOM 0 H LEU A 26 -17.683 6.690 6.463 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.385 7.151 7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.845 4.643 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.733 5.116 6.862 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.757 4.798 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.013 2.401 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.451 2.795 7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.725 2.493 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.303 4.087 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.035 4.289 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.953 5.701 4.763 1.00 0.00 H new ATOM 385 N ASN A 27 -18.089 7.999 9.089 1.00 0.00 N ATOM 386 CA ASN A 27 -17.410 8.353 10.323 1.00 0.00 C ATOM 387 C ASN A 27 -16.762 7.102 10.919 1.00 0.00 C ATOM 388 O ASN A 27 -16.627 6.989 12.137 1.00 0.00 O ATOM 389 CB ASN A 27 -18.393 8.913 11.352 1.00 0.00 C ATOM 390 CG ASN A 27 -17.696 9.888 12.303 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.494 10.090 12.255 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.516 10.481 13.167 1.00 0.00 N ATOM 0 H ASN A 27 -17.996 8.685 8.340 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.662 9.111 10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.211 9.421 10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.833 8.095 11.922 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.147 11.150 13.843 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.513 10.266 13.153 1.00 0.00 H new ATOM 398 N THR A 28 -16.376 6.195 10.033 1.00 0.00 N ATOM 399 CA THR A 28 -15.745 4.956 10.459 1.00 0.00 C ATOM 400 C THR A 28 -14.250 5.174 10.697 1.00 0.00 C ATOM 401 O THR A 28 -13.614 5.961 9.997 1.00 0.00 O ATOM 402 CB THR A 28 -16.043 3.889 9.403 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.440 3.647 9.539 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.398 2.542 9.735 1.00 0.00 C ATOM 0 H THR A 28 -16.488 6.293 9.024 1.00 0.00 H new ATOM 0 HA THR A 28 -16.147 4.613 11.412 1.00 0.00 H new ATOM 0 HB THR A 28 -15.689 4.232 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.918 4.502 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.640 1.820 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.316 2.662 9.796 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.777 2.183 10.692 1.00 0.00 H new ATOM 412 N PRO A 29 -13.717 4.444 11.713 1.00 0.00 N ATOM 413 CA PRO A 29 -12.309 4.550 12.053 1.00 0.00 C ATOM 414 C PRO A 29 -11.441 3.818 11.027 1.00 0.00 C ATOM 415 O PRO A 29 -11.765 2.706 10.615 1.00 0.00 O ATOM 416 CB PRO A 29 -12.196 3.965 13.452 1.00 0.00 C ATOM 417 CG PRO A 29 -13.451 3.135 13.658 1.00 0.00 C ATOM 418 CD PRO A 29 -14.440 3.503 12.563 1.00 0.00 C ATOM 0 HA PRO A 29 -11.949 5.579 12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.301 3.350 13.547 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.122 4.754 14.201 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.216 2.071 13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.880 3.330 14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.755 2.623 12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.341 3.955 12.978 1.00 0.00 H new ATOM 423 N GLN A 30 -10.354 4.473 10.644 1.00 0.00 N ATOM 424 CA GLN A 30 -9.437 3.897 9.675 1.00 0.00 C ATOM 425 C GLN A 30 -9.265 2.399 9.932 1.00 0.00 C ATOM 426 O GLN A 30 -9.442 1.586 9.025 1.00 0.00 O ATOM 427 CB GLN A 30 -8.087 4.617 9.703 1.00 0.00 C ATOM 428 CG GLN A 30 -7.653 5.021 8.293 1.00 0.00 C ATOM 429 CD GLN A 30 -6.978 3.853 7.571 1.00 0.00 C ATOM 430 OE1 GLN A 30 -5.972 3.318 8.007 1.00 0.00 O ATOM 431 NE2 GLN A 30 -7.586 3.489 6.445 1.00 0.00 N ATOM 0 H GLN A 30 -10.088 5.396 10.987 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.861 4.028 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.156 5.503 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.333 3.967 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.521 5.353 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.966 5.865 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.425 3.980 6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.213 2.719 5.890 1.00 0.00 H new ATOM 438 N PRO A 31 -8.911 2.071 11.203 1.00 0.00 N ATOM 439 CA PRO A 31 -8.711 0.684 11.590 1.00 0.00 C ATOM 440 C PRO A 31 -10.050 -0.041 11.738 1.00 0.00 C ATOM 441 O PRO A 31 -10.325 -0.637 12.778 1.00 0.00 O ATOM 442 CB PRO A 31 -7.924 0.747 12.888 1.00 0.00 C ATOM 443 CG PRO A 31 -8.110 2.158 13.422 1.00 0.00 C ATOM 444 CD PRO A 31 -8.691 3.006 12.302 1.00 0.00 C ATOM 0 HA PRO A 31 -8.168 0.111 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.289 0.008 13.602 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.870 0.531 12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.777 2.155 14.284 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.157 2.568 13.757 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.622 3.482 12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.006 3.803 12.013 1.00 0.00 H new ATOM 449 N MET A 32 -10.848 0.034 10.683 1.00 0.00 N ATOM 450 CA MET A 32 -12.152 -0.608 10.683 1.00 0.00 C ATOM 451 C MET A 32 -12.542 -1.058 9.273 1.00 0.00 C ATOM 452 O MET A 32 -13.032 -2.170 9.086 1.00 0.00 O ATOM 453 CB MET A 32 -13.201 0.369 11.216 1.00 0.00 C ATOM 454 CG MET A 32 -14.240 -0.357 12.074 1.00 0.00 C ATOM 455 SD MET A 32 -15.589 -0.922 11.052 1.00 0.00 S ATOM 456 CE MET A 32 -15.517 -2.675 11.385 1.00 0.00 C ATOM 0 H MET A 32 -10.617 0.530 9.822 1.00 0.00 H new ATOM 0 HA MET A 32 -12.103 -1.488 11.324 1.00 0.00 H new ATOM 0 HB2 MET A 32 -12.714 1.145 11.807 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.696 0.867 10.382 1.00 0.00 H new ATOM 0 HG2 MET A 32 -13.777 -1.204 12.581 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.615 0.312 12.849 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.298 -3.185 10.821 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.543 -3.062 11.086 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.666 -2.849 12.451 1.00 0.00 H new ATOM 464 N ILE A 33 -12.307 -0.170 8.317 1.00 0.00 N ATOM 465 CA ILE A 33 -12.628 -0.462 6.930 1.00 0.00 C ATOM 466 C ILE A 33 -11.569 -1.405 6.355 1.00 0.00 C ATOM 467 O ILE A 33 -11.874 -2.245 5.509 1.00 0.00 O ATOM 468 CB ILE A 33 -12.793 0.834 6.135 1.00 0.00 C ATOM 469 CG1 ILE A 33 -13.972 1.654 6.662 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.920 0.546 4.637 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.287 0.887 6.507 1.00 0.00 C ATOM 0 H ILE A 33 -11.898 0.751 8.476 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.586 -0.976 6.860 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.895 1.436 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.810 1.897 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.032 2.599 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.036 1.484 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.024 0.034 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.791 -0.085 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.109 1.493 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.458 0.667 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.232 -0.046 7.068 1.00 0.00 H new ATOM 482 N ASN A 34 -10.346 -1.236 6.837 1.00 0.00 N ATOM 483 CA ASN A 34 -9.242 -2.063 6.380 1.00 0.00 C ATOM 484 C ASN A 34 -9.590 -3.537 6.594 1.00 0.00 C ATOM 485 O ASN A 34 -9.297 -4.376 5.744 1.00 0.00 O ATOM 486 CB ASN A 34 -7.966 -1.760 7.170 1.00 0.00 C ATOM 487 CG ASN A 34 -7.261 -0.519 6.617 1.00 0.00 C ATOM 488 OD1 ASN A 34 -6.786 -0.492 5.494 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.220 0.502 7.468 1.00 0.00 N ATOM 0 H ASN A 34 -10.096 -0.539 7.539 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.075 -1.849 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.212 -1.605 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.293 -2.616 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.771 1.376 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.638 0.411 8.394 1.00 0.00 H new ATOM 495 N ALA A 35 -10.211 -3.806 7.732 1.00 0.00 N ATOM 496 CA ALA A 35 -10.604 -5.165 8.068 1.00 0.00 C ATOM 497 C ALA A 35 -11.597 -5.676 7.022 1.00 0.00 C ATOM 498 O ALA A 35 -11.455 -6.790 6.519 1.00 0.00 O ATOM 499 CB ALA A 35 -11.182 -5.195 9.484 1.00 0.00 C ATOM 0 H ALA A 35 -10.452 -3.106 8.434 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.740 -5.829 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.476 -6.214 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.428 -4.850 10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.054 -4.542 9.535 1.00 0.00 H new ATOM 505 N MET A 36 -12.580 -4.840 6.726 1.00 0.00 N ATOM 506 CA MET A 36 -13.597 -5.194 5.750 1.00 0.00 C ATOM 507 C MET A 36 -12.986 -5.353 4.357 1.00 0.00 C ATOM 508 O MET A 36 -13.316 -6.292 3.633 1.00 0.00 O ATOM 509 CB MET A 36 -14.672 -4.107 5.716 1.00 0.00 C ATOM 510 CG MET A 36 -15.017 -3.630 7.128 1.00 0.00 C ATOM 511 SD MET A 36 -16.774 -3.771 7.409 1.00 0.00 S ATOM 512 CE MET A 36 -17.186 -2.055 7.669 1.00 0.00 C ATOM 0 H MET A 36 -12.695 -3.917 7.145 1.00 0.00 H new ATOM 0 HA MET A 36 -14.040 -6.146 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.323 -3.264 5.119 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.568 -4.492 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.474 -4.223 7.864 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.702 -2.595 7.258 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.162 -1.984 8.148 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.433 -1.593 8.308 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.214 -1.538 6.710 1.00 0.00 H new ATOM 520 N LEU A 37 -12.106 -4.421 4.021 1.00 0.00 N ATOM 521 CA LEU A 37 -11.446 -4.447 2.726 1.00 0.00 C ATOM 522 C LEU A 37 -10.674 -5.759 2.578 1.00 0.00 C ATOM 523 O LEU A 37 -10.746 -6.411 1.538 1.00 0.00 O ATOM 524 CB LEU A 37 -10.580 -3.198 2.543 1.00 0.00 C ATOM 525 CG LEU A 37 -11.333 -1.877 2.381 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.441 -0.689 2.747 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.914 -1.745 0.972 1.00 0.00 C ATOM 0 H LEU A 37 -11.835 -3.643 4.623 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.181 -4.418 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.916 -3.112 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.949 -3.343 1.666 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.173 -1.876 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.001 0.238 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.118 -0.782 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.568 -0.675 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.444 -0.797 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.106 -1.778 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.606 -2.566 0.785 1.00 0.00 H new ATOM 538 N GLN A 38 -9.953 -6.107 3.634 1.00 0.00 N ATOM 539 CA GLN A 38 -9.168 -7.330 3.634 1.00 0.00 C ATOM 540 C GLN A 38 -10.049 -8.526 3.269 1.00 0.00 C ATOM 541 O GLN A 38 -9.643 -9.385 2.487 1.00 0.00 O ATOM 542 CB GLN A 38 -8.487 -7.543 4.987 1.00 0.00 C ATOM 543 CG GLN A 38 -6.985 -7.781 4.814 1.00 0.00 C ATOM 544 CD GLN A 38 -6.381 -8.415 6.068 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.677 -9.544 6.428 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.521 -7.632 6.711 1.00 0.00 N ATOM 0 H GLN A 38 -9.896 -5.564 4.495 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.386 -7.237 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.650 -6.672 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.938 -8.396 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.813 -8.430 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.485 -6.835 4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.318 -6.698 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.064 -7.965 7.560 1.00 0.00 H new ATOM 553 N GLN A 39 -11.239 -8.544 3.852 1.00 0.00 N ATOM 554 CA GLN A 39 -12.180 -9.621 3.598 1.00 0.00 C ATOM 555 C GLN A 39 -12.461 -9.737 2.099 1.00 0.00 C ATOM 556 O GLN A 39 -12.397 -10.829 1.534 1.00 0.00 O ATOM 557 CB GLN A 39 -13.476 -9.413 4.385 1.00 0.00 C ATOM 558 CG GLN A 39 -13.928 -10.713 5.051 1.00 0.00 C ATOM 559 CD GLN A 39 -14.879 -10.431 6.215 1.00 0.00 C ATOM 560 OE1 GLN A 39 -14.486 -9.973 7.276 1.00 0.00 O ATOM 561 NE2 GLN A 39 -16.150 -10.727 5.959 1.00 0.00 N ATOM 0 H GLN A 39 -11.573 -7.830 4.499 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.734 -10.556 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.326 -8.645 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.258 -9.052 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.424 -11.348 4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.058 -11.262 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.412 -11.108 5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.863 -10.573 6.672 1.00 0.00 H new ATOM 568 N LEU A 40 -12.765 -8.598 1.496 1.00 0.00 N ATOM 569 CA LEU A 40 -13.057 -8.559 0.073 1.00 0.00 C ATOM 570 C LEU A 40 -11.837 -9.055 -0.707 1.00 0.00 C ATOM 571 O LEU A 40 -11.976 -9.808 -1.669 1.00 0.00 O ATOM 572 CB LEU A 40 -13.523 -7.161 -0.340 1.00 0.00 C ATOM 573 CG LEU A 40 -14.654 -6.557 0.494 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.560 -5.031 0.523 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.019 -7.038 -0.004 1.00 0.00 C ATOM 0 H LEU A 40 -12.816 -7.694 1.967 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.883 -9.229 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.667 -6.487 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.846 -7.200 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.544 -6.905 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.376 -4.628 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.607 -4.733 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.630 -4.643 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.806 -6.594 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.153 -6.739 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.071 -8.124 0.071 1.00 0.00 H new ATOM 586 N GLU A 41 -10.670 -8.613 -0.262 1.00 0.00 N ATOM 587 CA GLU A 41 -9.427 -9.003 -0.905 1.00 0.00 C ATOM 588 C GLU A 41 -9.242 -10.520 -0.827 1.00 0.00 C ATOM 589 O GLU A 41 -8.970 -11.169 -1.836 1.00 0.00 O ATOM 590 CB GLU A 41 -8.235 -8.273 -0.284 1.00 0.00 C ATOM 591 CG GLU A 41 -6.929 -8.672 -0.972 1.00 0.00 C ATOM 592 CD GLU A 41 -5.868 -9.073 0.055 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.910 -8.608 1.204 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.976 -9.900 -0.376 1.00 0.00 O ATOM 0 H GLU A 41 -10.559 -7.988 0.537 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.479 -8.716 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.380 -7.196 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.176 -8.505 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.112 -9.502 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.562 -7.840 -1.574 1.00 0.00 H new ATOM 600 N SER A 42 -9.398 -11.041 0.382 1.00 0.00 N ATOM 601 CA SER A 42 -9.251 -12.469 0.605 1.00 0.00 C ATOM 602 C SER A 42 -10.165 -13.244 -0.348 1.00 0.00 C ATOM 603 O SER A 42 -9.733 -14.206 -0.983 1.00 0.00 O ATOM 604 CB SER A 42 -9.567 -12.835 2.057 1.00 0.00 C ATOM 605 OG SER A 42 -8.811 -13.960 2.500 1.00 0.00 O ATOM 0 H SER A 42 -9.625 -10.500 1.216 1.00 0.00 H new ATOM 0 HA SER A 42 -8.214 -12.741 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.357 -11.981 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.631 -13.052 2.153 1.00 0.00 H new ATOM 0 HG SER A 42 -9.039 -14.161 3.431 1.00 0.00 H new ATOM 610 N MET A 43 -11.409 -12.797 -0.418 1.00 0.00 N ATOM 611 CA MET A 43 -12.387 -13.437 -1.282 1.00 0.00 C ATOM 612 C MET A 43 -12.069 -13.176 -2.755 1.00 0.00 C ATOM 613 O MET A 43 -12.111 -14.094 -3.575 1.00 0.00 O ATOM 614 CB MET A 43 -13.783 -12.901 -0.958 1.00 0.00 C ATOM 615 CG MET A 43 -14.272 -13.427 0.393 1.00 0.00 C ATOM 616 SD MET A 43 -16.017 -13.795 0.309 1.00 0.00 S ATOM 617 CE MET A 43 -15.949 -15.501 -0.211 1.00 0.00 C ATOM 0 H MET A 43 -11.763 -11.999 0.109 1.00 0.00 H new ATOM 0 HA MET A 43 -12.352 -14.512 -1.106 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.764 -11.811 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.481 -13.196 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.716 -14.323 0.667 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.085 -12.686 1.170 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.962 -15.880 -0.348 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.404 -15.573 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.439 -16.093 0.549 1.00 0.00 H new ATOM 625 N GLY A 44 -11.758 -11.923 -3.048 1.00 0.00 N ATOM 626 CA GLY A 44 -11.433 -11.530 -4.409 1.00 0.00 C ATOM 627 C GLY A 44 -12.556 -10.690 -5.021 1.00 0.00 C ATOM 628 O GLY A 44 -12.982 -10.943 -6.147 1.00 0.00 O ATOM 0 H GLY A 44 -11.724 -11.165 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.504 -10.960 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.266 -12.419 -5.018 1.00 0.00 H new ATOM 632 N LYS A 45 -13.006 -9.710 -4.251 1.00 0.00 N ATOM 633 CA LYS A 45 -14.071 -8.832 -4.703 1.00 0.00 C ATOM 634 C LYS A 45 -13.473 -7.495 -5.146 1.00 0.00 C ATOM 635 O LYS A 45 -13.669 -7.070 -6.283 1.00 0.00 O ATOM 636 CB LYS A 45 -15.148 -8.695 -3.623 1.00 0.00 C ATOM 637 CG LYS A 45 -15.298 -9.996 -2.832 1.00 0.00 C ATOM 638 CD LYS A 45 -15.914 -11.097 -3.698 1.00 0.00 C ATOM 639 CE LYS A 45 -16.677 -12.108 -2.840 1.00 0.00 C ATOM 640 NZ LYS A 45 -16.325 -13.491 -3.234 1.00 0.00 N ATOM 0 H LYS A 45 -12.652 -9.505 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.573 -9.260 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.888 -7.881 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.100 -8.434 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.323 -10.318 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.925 -9.823 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.589 -10.654 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.129 -11.607 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.441 -11.952 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.750 -11.953 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.420 -14.121 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.964 -13.810 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.343 -13.515 -3.577 1.00 0.00 H new ATOM 649 N ALA A 46 -12.753 -6.871 -4.225 1.00 0.00 N ATOM 650 CA ALA A 46 -12.125 -5.592 -4.507 1.00 0.00 C ATOM 651 C ALA A 46 -10.685 -5.828 -4.969 1.00 0.00 C ATOM 652 O ALA A 46 -10.198 -6.956 -4.945 1.00 0.00 O ATOM 653 CB ALA A 46 -12.200 -4.702 -3.265 1.00 0.00 C ATOM 0 H ALA A 46 -12.591 -7.228 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.649 -5.075 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.729 -3.742 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.244 -4.542 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.681 -5.187 -2.438 1.00 0.00 H new ATOM 659 N VAL A 47 -10.044 -4.742 -5.379 1.00 0.00 N ATOM 660 CA VAL A 47 -8.670 -4.816 -5.846 1.00 0.00 C ATOM 661 C VAL A 47 -7.868 -3.662 -5.243 1.00 0.00 C ATOM 662 O VAL A 47 -8.438 -2.643 -4.852 1.00 0.00 O ATOM 663 CB VAL A 47 -8.638 -4.833 -7.376 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.456 -6.001 -7.929 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.126 -3.501 -7.949 1.00 0.00 C ATOM 0 H VAL A 47 -10.451 -3.807 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.203 -5.743 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.603 -4.973 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.416 -5.989 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.044 -6.940 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.492 -5.907 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.093 -3.540 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.150 -3.318 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.483 -2.695 -7.595 1.00 0.00 H new ATOM 675 N ARG A 48 -6.559 -3.858 -5.187 1.00 0.00 N ATOM 676 CA ARG A 48 -5.674 -2.845 -4.638 1.00 0.00 C ATOM 677 C ARG A 48 -5.319 -1.813 -5.710 1.00 0.00 C ATOM 678 O ARG A 48 -5.078 -2.168 -6.863 1.00 0.00 O ATOM 679 CB ARG A 48 -4.386 -3.473 -4.098 1.00 0.00 C ATOM 680 CG ARG A 48 -4.498 -3.748 -2.597 1.00 0.00 C ATOM 681 CD ARG A 48 -3.762 -2.679 -1.788 1.00 0.00 C ATOM 682 NE ARG A 48 -2.376 -3.118 -1.510 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.026 -3.902 -0.467 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.959 -4.339 0.405 1.00 0.00 N ATOM 685 NH2 ARG A 48 -0.758 -4.234 -0.315 1.00 0.00 N ATOM 0 H ARG A 48 -6.090 -4.703 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.199 -2.356 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.181 -4.403 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.545 -2.806 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.548 -3.771 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.083 -4.730 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.751 -1.738 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.288 -2.494 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.640 -2.810 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.937 -4.078 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.686 -4.931 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.060 -3.899 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.476 -4.825 0.467 1.00 0.00 H new ATOM 695 N ILE A 49 -5.299 -0.556 -5.293 1.00 0.00 N ATOM 696 CA ILE A 49 -4.978 0.531 -6.203 1.00 0.00 C ATOM 697 C ILE A 49 -3.700 1.226 -5.730 1.00 0.00 C ATOM 698 O ILE A 49 -3.395 1.227 -4.538 1.00 0.00 O ATOM 699 CB ILE A 49 -6.172 1.474 -6.353 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.377 0.744 -6.948 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.793 2.713 -7.167 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.110 0.337 -8.399 1.00 0.00 C ATOM 0 H ILE A 49 -5.500 -0.265 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.779 0.145 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.463 1.817 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.600 -0.142 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.255 1.388 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.660 3.367 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.987 3.247 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.461 2.409 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.982 -0.180 -8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.911 1.227 -8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.246 -0.326 -8.438 1.00 0.00 H new ATOM 713 N GLN A 50 -2.987 1.800 -6.688 1.00 0.00 N ATOM 714 CA GLN A 50 -1.749 2.497 -6.384 1.00 0.00 C ATOM 715 C GLN A 50 -1.881 3.984 -6.722 1.00 0.00 C ATOM 716 O GLN A 50 -2.649 4.357 -7.607 1.00 0.00 O ATOM 717 CB GLN A 50 -0.569 1.868 -7.127 1.00 0.00 C ATOM 718 CG GLN A 50 0.696 2.713 -6.961 1.00 0.00 C ATOM 719 CD GLN A 50 1.951 1.874 -7.208 1.00 0.00 C ATOM 720 OE1 GLN A 50 1.954 0.661 -7.080 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.016 2.586 -7.568 1.00 0.00 N ATOM 0 H GLN A 50 -3.243 1.797 -7.675 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.554 2.403 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.391 0.862 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.810 1.772 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.672 3.551 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.727 3.134 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.946 3.600 -7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.903 2.118 -7.755 1.00 0.00 H new ATOM 728 N GLU A 51 -1.118 4.792 -5.999 1.00 0.00 N ATOM 729 CA GLU A 51 -1.140 6.229 -6.211 1.00 0.00 C ATOM 730 C GLU A 51 0.149 6.683 -6.899 1.00 0.00 C ATOM 731 O GLU A 51 1.095 5.908 -7.027 1.00 0.00 O ATOM 732 CB GLU A 51 -1.351 6.975 -4.892 1.00 0.00 C ATOM 733 CG GLU A 51 -2.811 7.401 -4.730 1.00 0.00 C ATOM 734 CD GLU A 51 -2.909 8.825 -4.180 1.00 0.00 C ATOM 735 OE1 GLU A 51 -3.190 9.765 -4.938 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.682 8.938 -2.914 1.00 0.00 O ATOM 0 H GLU A 51 -0.481 4.478 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.980 6.468 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.060 6.336 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.707 7.853 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.319 7.343 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.322 6.712 -4.058 1.00 0.00 H new ATOM 975 N ARG A 72 0.777 5.325 -0.866 1.00 0.00 N ATOM 976 CA ARG A 72 -0.535 5.150 -0.267 1.00 0.00 C ATOM 977 C ARG A 72 -1.453 4.375 -1.213 1.00 0.00 C ATOM 978 O ARG A 72 -2.143 4.970 -2.039 1.00 0.00 O ATOM 979 CB ARG A 72 -1.174 6.501 0.061 1.00 0.00 C ATOM 980 CG ARG A 72 -0.912 6.894 1.517 1.00 0.00 C ATOM 981 CD ARG A 72 -2.213 6.922 2.320 1.00 0.00 C ATOM 982 NE ARG A 72 -2.403 8.256 2.932 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.640 9.384 2.228 1.00 0.00 C ATOM 984 NH1 ARG A 72 -2.718 9.347 0.881 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.793 10.522 2.878 1.00 0.00 N ATOM 0 HA ARG A 72 -0.405 4.588 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.774 7.267 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.248 6.452 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.217 6.186 1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.437 7.874 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.056 6.688 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.187 6.157 3.096 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.352 8.328 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.598 8.463 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.897 10.203 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.732 10.540 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.973 11.384 2.362 1.00 0.00 H new ATOM 995 N GLU A 73 -1.432 3.059 -1.061 1.00 0.00 N ATOM 996 CA GLU A 73 -2.253 2.197 -1.893 1.00 0.00 C ATOM 997 C GLU A 73 -3.737 2.482 -1.651 1.00 0.00 C ATOM 998 O GLU A 73 -4.175 2.584 -0.507 1.00 0.00 O ATOM 999 CB GLU A 73 -1.931 0.722 -1.639 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.450 0.433 -1.887 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.077 -0.970 -1.407 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.176 -1.861 -2.232 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -0.053 -1.119 -0.126 1.00 0.00 O ATOM 0 H GLU A 73 -0.859 2.569 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.027 2.411 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.189 0.461 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.541 0.096 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.231 0.528 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.160 1.173 -1.369 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.470 2.605 -2.749 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.894 2.879 -2.671 1.00 0.00 C ATOM 1011 C TRP A 74 -6.639 1.551 -2.824 1.00 0.00 C ATOM 1012 O TRP A 74 -6.033 0.527 -3.136 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.310 3.920 -3.710 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.013 5.364 -3.298 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.659 5.820 -2.089 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -6.059 6.528 -4.151 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.474 7.188 -2.099 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.724 7.632 -3.392 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.373 6.644 -5.515 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.672 8.931 -3.912 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.315 7.949 -6.020 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.981 9.071 -5.270 1.00 0.00 C ATOM 0 H TRP A 74 -4.103 2.520 -3.697 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.151 3.314 -1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.797 3.708 -4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.378 3.820 -3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.534 5.196 -1.216 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.204 7.767 -1.304 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.638 5.794 -6.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.408 9.779 -3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.546 8.094 -7.065 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.960 10.046 -5.733 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.943 1.611 -2.599 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.777 0.426 -2.708 1.00 0.00 C ATOM 1034 C TRP A 75 -9.900 0.728 -3.702 1.00 0.00 C ATOM 1035 O TRP A 75 -10.362 1.865 -3.795 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.294 -0.009 -1.336 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.199 -0.485 -0.380 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.527 0.234 0.529 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.671 -1.825 -0.276 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.609 -0.540 1.209 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.700 -1.832 0.704 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.004 -2.991 -0.986 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -5.981 -2.979 1.062 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.277 -4.130 -0.616 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.297 -4.153 0.369 1.00 0.00 C ATOM 0 H TRP A 75 -8.443 2.462 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.199 -0.419 -3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.824 0.826 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.019 -0.812 -1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.684 1.288 0.707 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -5.980 -0.223 1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.761 -3.008 -1.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.223 -2.959 1.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.493 -5.054 -1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.781 -5.074 0.599 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.309 -0.309 -4.418 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.370 -0.168 -5.402 1.00 0.00 C ATOM 1057 C ALA A 76 -12.031 -1.529 -5.630 1.00 0.00 C ATOM 1058 O ALA A 76 -11.622 -2.528 -5.041 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.797 0.426 -6.690 1.00 0.00 C ATOM 0 H ALA A 76 -9.925 -1.251 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.139 0.516 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.593 0.532 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.366 1.405 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.024 -0.234 -7.083 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.043 -1.523 -6.486 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.764 -2.744 -6.799 1.00 0.00 C ATOM 1067 C LEU A 77 -13.132 -3.405 -8.026 1.00 0.00 C ATOM 1068 O LEU A 77 -12.323 -2.790 -8.719 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.259 -2.458 -6.956 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.875 -1.519 -5.916 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.245 -1.016 -6.375 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.941 -2.190 -4.543 1.00 0.00 C ATOM 0 H LEU A 77 -13.380 -0.692 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.683 -3.455 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.425 -2.032 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.796 -3.406 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.229 -0.647 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.661 -0.351 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.138 -0.474 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.914 -1.864 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.383 -1.502 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.553 -3.090 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.935 -2.457 -4.220 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.526 -4.649 -8.257 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.009 -5.398 -9.389 1.00 0.00 C ATOM 1085 C ARG A 78 -13.786 -5.047 -10.659 1.00 0.00 C ATOM 1086 O ARG A 78 -14.976 -4.746 -10.599 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.104 -6.906 -9.141 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.474 -7.692 -10.293 1.00 0.00 C ATOM 1089 CD ARG A 78 -10.948 -7.586 -10.258 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.358 -8.436 -11.316 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.083 -8.333 -11.746 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.251 -7.413 -11.212 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -8.660 -9.144 -12.699 1.00 0.00 N ATOM 0 H ARG A 78 -14.197 -5.156 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.961 -5.127 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.601 -7.157 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.149 -7.194 -9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.771 -8.739 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.847 -7.312 -11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.644 -6.549 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.576 -7.896 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.952 -9.144 -11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.585 -6.789 -10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.289 -7.342 -11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.294 -9.835 -13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.699 -9.079 -13.035 1.00 0.00 H new