USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 563 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 24 ASN : amide:sc= 0.351 K(o=0.1,f=-6.8!) USER MOD Set 1.2: A 66 GLN :FLIP amide:sc= -0.246 F(o=-0.47,f=0.1) USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -0.0709 USER MOD Set 2.2: A 25 ASN : amide:sc= -2.85! C(o=-2.9!,f=-4.8!) USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -1 (180deg=-3.48!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.2) USER MOD Single : A 14 GLN :FLIP amide:sc= -3.72! C(o=-5.1!,f=-3.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 165:sc= -0.891 USER MOD Single : A 44 MET CE :methyl 177:sc= -1.12 (180deg=-1.13) USER MOD Single : A 52 THR OG1 : rot 12:sc= 0.772 USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.61) USER MOD Single : A 63 THR OG1 : rot -52:sc= -3.42! USER MOD Single : A 64 THR OG1 : rot -92:sc= 0.878 USER MOD Single : A 71 TYR OH : rot 177:sc= -5.91! USER MOD Single : A 73 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.370 -9.930 -5.777 1.00 0.00 N ATOM 27 CA ILE A 3 -2.353 -9.314 -4.942 1.00 0.00 C ATOM 28 C ILE A 3 -2.427 -7.793 -5.094 1.00 0.00 C ATOM 29 O ILE A 3 -2.518 -7.070 -4.103 1.00 0.00 O ATOM 30 CB ILE A 3 -0.974 -9.897 -5.257 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.168 -10.122 -3.976 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.224 -9.019 -6.260 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.566 -8.847 -3.559 1.00 0.00 C ATOM 0 HA ILE A 3 -2.536 -9.539 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.114 -10.872 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.834 -10.441 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.552 -10.926 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.753 -9.456 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.796 -8.954 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.094 -8.020 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.131 -9.035 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.249 -8.544 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.158 -8.052 -3.381 1.00 0.00 H new ATOM 45 N GLU A 4 -2.386 -7.353 -6.343 1.00 0.00 N ATOM 46 CA GLU A 4 -2.447 -5.932 -6.638 1.00 0.00 C ATOM 47 C GLU A 4 -3.886 -5.425 -6.514 1.00 0.00 C ATOM 48 O GLU A 4 -4.132 -4.387 -5.903 1.00 0.00 O ATOM 49 CB GLU A 4 -1.879 -5.635 -8.027 1.00 0.00 C ATOM 50 CG GLU A 4 -2.932 -5.869 -9.112 1.00 0.00 C ATOM 51 CD GLU A 4 -2.352 -5.611 -10.504 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.039 -5.043 -11.366 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.142 -6.022 -10.675 1.00 0.00 O ATOM 0 H GLU A 4 -2.311 -7.956 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.832 -5.403 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.532 -4.603 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.013 -6.270 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.300 -6.893 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.786 -5.213 -8.943 1.00 0.00 H new ATOM 61 N GLU A 5 -4.799 -6.183 -7.104 1.00 0.00 N ATOM 62 CA GLU A 5 -6.206 -5.824 -7.068 1.00 0.00 C ATOM 63 C GLU A 5 -6.717 -5.824 -5.625 1.00 0.00 C ATOM 64 O GLU A 5 -7.724 -5.187 -5.320 1.00 0.00 O ATOM 65 CB GLU A 5 -7.035 -6.767 -7.942 1.00 0.00 C ATOM 66 CG GLU A 5 -6.642 -8.226 -7.702 1.00 0.00 C ATOM 67 CD GLU A 5 -7.759 -9.174 -8.142 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.831 -9.200 -7.521 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.482 -9.902 -9.171 1.00 0.00 O ATOM 0 H GLU A 5 -4.591 -7.044 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.314 -4.817 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.095 -6.632 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.890 -6.516 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.728 -8.455 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.426 -8.379 -6.645 1.00 0.00 H new ATOM 77 N ARG A 6 -5.998 -6.544 -4.777 1.00 0.00 N ATOM 78 CA ARG A 6 -6.366 -6.635 -3.374 1.00 0.00 C ATOM 79 C ARG A 6 -5.514 -5.677 -2.539 1.00 0.00 C ATOM 80 O ARG A 6 -5.890 -5.316 -1.425 1.00 0.00 O ATOM 81 CB ARG A 6 -6.183 -8.060 -2.848 1.00 0.00 C ATOM 82 CG ARG A 6 -7.459 -8.883 -3.040 1.00 0.00 C ATOM 83 CD ARG A 6 -7.318 -10.268 -2.404 1.00 0.00 C ATOM 84 NE ARG A 6 -7.320 -10.151 -0.929 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.012 -11.162 -0.089 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.674 -12.376 -0.573 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.047 -10.945 1.213 1.00 0.00 N ATOM 0 H ARG A 6 -5.163 -7.070 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.417 -6.361 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.354 -8.540 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.921 -8.030 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.305 -8.359 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.672 -8.987 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.137 -10.910 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.393 -10.738 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.570 -9.250 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.650 -12.535 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.443 -13.134 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.304 -10.025 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.817 -11.698 1.862 1.00 0.00 H new ATOM 100 N VAL A 7 -4.381 -5.293 -3.109 1.00 0.00 N ATOM 101 CA VAL A 7 -3.472 -4.384 -2.431 1.00 0.00 C ATOM 102 C VAL A 7 -4.176 -3.046 -2.198 1.00 0.00 C ATOM 103 O VAL A 7 -4.031 -2.441 -1.137 1.00 0.00 O ATOM 104 CB VAL A 7 -2.176 -4.247 -3.232 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.596 -2.837 -3.098 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.154 -5.303 -2.807 1.00 0.00 C ATOM 0 H VAL A 7 -4.072 -5.595 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.194 -4.779 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.412 -4.414 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.675 -2.766 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.317 -2.110 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.382 -2.630 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.242 -5.183 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.925 -5.182 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.566 -6.298 -2.977 1.00 0.00 H new ATOM 116 N LYS A 8 -4.924 -2.623 -3.207 1.00 0.00 N ATOM 117 CA LYS A 8 -5.651 -1.368 -3.125 1.00 0.00 C ATOM 118 C LYS A 8 -6.520 -1.368 -1.867 1.00 0.00 C ATOM 119 O LYS A 8 -6.745 -0.320 -1.263 1.00 0.00 O ATOM 120 CB LYS A 8 -6.435 -1.118 -4.415 1.00 0.00 C ATOM 121 CG LYS A 8 -5.707 -0.118 -5.315 1.00 0.00 C ATOM 122 CD LYS A 8 -4.748 -0.835 -6.268 1.00 0.00 C ATOM 123 CE LYS A 8 -5.447 -1.195 -7.580 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.587 -2.077 -8.401 1.00 0.00 N ATOM 0 H LYS A 8 -5.042 -3.128 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.958 -0.532 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.574 -2.058 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.428 -0.739 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.434 0.456 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.152 0.592 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.888 -0.197 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.368 -1.740 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.393 -1.693 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.681 -0.287 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.619 -1.767 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.608 -2.027 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.929 -3.057 -8.333 1.00 0.00 H new ATOM 137 N LYS A 9 -6.987 -2.555 -1.508 1.00 0.00 N ATOM 138 CA LYS A 9 -7.827 -2.706 -0.333 1.00 0.00 C ATOM 139 C LYS A 9 -7.053 -2.244 0.904 1.00 0.00 C ATOM 140 O LYS A 9 -7.517 -1.377 1.643 1.00 0.00 O ATOM 141 CB LYS A 9 -8.353 -4.139 -0.230 1.00 0.00 C ATOM 142 CG LYS A 9 -9.883 -4.162 -0.222 1.00 0.00 C ATOM 143 CD LYS A 9 -10.434 -4.435 -1.623 1.00 0.00 C ATOM 144 CE LYS A 9 -11.185 -5.767 -1.667 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.089 -6.371 -3.015 1.00 0.00 N ATOM 0 H LYS A 9 -6.799 -3.422 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.710 -2.073 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.981 -4.728 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.974 -4.605 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.235 -4.929 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.263 -3.208 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.103 -3.627 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.616 -4.451 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.770 -6.450 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.232 -5.610 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.604 -7.274 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.506 -5.725 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.090 -6.539 -3.250 1.00 0.00 H new ATOM 158 N ILE A 10 -5.887 -2.845 1.091 1.00 0.00 N ATOM 159 CA ILE A 10 -5.045 -2.506 2.226 1.00 0.00 C ATOM 160 C ILE A 10 -4.985 -0.985 2.375 1.00 0.00 C ATOM 161 O ILE A 10 -5.271 -0.451 3.446 1.00 0.00 O ATOM 162 CB ILE A 10 -3.671 -3.165 2.089 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.784 -4.690 2.164 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.691 -2.611 3.124 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.759 -5.361 1.248 1.00 0.00 C ATOM 0 H ILE A 10 -5.506 -3.564 0.476 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.472 -2.900 3.148 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.272 -2.920 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.630 -5.020 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.790 -4.998 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.722 -3.096 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.579 -1.536 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.073 -2.805 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.860 -6.444 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.931 -5.048 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.754 -5.070 1.552 1.00 0.00 H new ATOM 177 N ILE A 11 -4.611 -0.330 1.286 1.00 0.00 N ATOM 178 CA ILE A 11 -4.510 1.120 1.282 1.00 0.00 C ATOM 179 C ILE A 11 -5.914 1.725 1.336 1.00 0.00 C ATOM 180 O ILE A 11 -6.092 2.848 1.804 1.00 0.00 O ATOM 181 CB ILE A 11 -3.680 1.596 0.089 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.360 0.827 -0.004 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.459 3.109 0.143 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.446 1.164 1.176 1.00 0.00 C ATOM 0 H ILE A 11 -4.374 -0.776 0.400 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.979 1.467 2.168 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.240 1.385 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.559 -0.244 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.857 1.072 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.866 3.421 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.422 3.618 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.931 3.367 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.515 0.605 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.229 2.232 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.942 0.896 2.109 1.00 0.00 H new ATOM 196 N GLY A 12 -6.875 0.953 0.850 1.00 0.00 N ATOM 197 CA GLY A 12 -8.258 1.399 0.836 1.00 0.00 C ATOM 198 C GLY A 12 -8.858 1.367 2.243 1.00 0.00 C ATOM 199 O GLY A 12 -9.799 2.103 2.537 1.00 0.00 O ATOM 0 H GLY A 12 -6.723 0.022 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.313 2.411 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.843 0.762 0.173 1.00 0.00 H new ATOM 203 N GLN A 13 -8.289 0.508 3.075 1.00 0.00 N ATOM 204 CA GLN A 13 -8.756 0.371 4.444 1.00 0.00 C ATOM 205 C GLN A 13 -7.772 1.035 5.410 1.00 0.00 C ATOM 206 O GLN A 13 -8.147 1.930 6.165 1.00 0.00 O ATOM 207 CB GLN A 13 -8.971 -1.100 4.806 1.00 0.00 C ATOM 208 CG GLN A 13 -10.454 -1.398 5.033 1.00 0.00 C ATOM 209 CD GLN A 13 -11.019 -0.539 6.165 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.306 -0.062 7.032 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.337 -0.368 6.109 1.00 0.00 N ATOM 0 H GLN A 13 -7.509 -0.100 2.828 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.718 0.877 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.587 -1.735 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.406 -1.343 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.011 -1.209 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.584 -2.453 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.875 -0.796 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.809 0.191 6.820 1.00 0.00 H new ATOM 220 N GLN A 14 -6.533 0.570 5.354 1.00 0.00 N ATOM 221 CA GLN A 14 -5.492 1.107 6.214 1.00 0.00 C ATOM 222 C GLN A 14 -5.595 2.632 6.281 1.00 0.00 C ATOM 223 O GLN A 14 -5.868 3.193 7.341 1.00 0.00 O ATOM 224 CB GLN A 14 -4.106 0.671 5.736 1.00 0.00 C ATOM 225 CG GLN A 14 -3.860 -0.807 6.043 1.00 0.00 C ATOM 226 CD GLN A 14 -4.129 -1.113 7.518 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.070 -0.951 8.306 1.00 0.00 O flip ATOM 228 NE2 GLN A 14 -5.226 -1.472 7.914 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.226 -0.173 4.726 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.635 0.708 7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.017 0.843 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.342 1.279 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.504 -1.424 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.831 -1.067 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.997 -1.576 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.372 -1.668 8.904 1.00 0.00 H new ATOM 237 N LEU A 15 -5.370 3.260 5.136 1.00 0.00 N ATOM 238 CA LEU A 15 -5.433 4.709 5.052 1.00 0.00 C ATOM 239 C LEU A 15 -6.799 5.185 5.549 1.00 0.00 C ATOM 240 O LEU A 15 -6.890 5.868 6.568 1.00 0.00 O ATOM 241 CB LEU A 15 -5.096 5.178 3.635 1.00 0.00 C ATOM 242 CG LEU A 15 -3.735 4.741 3.090 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.124 5.829 2.204 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.794 4.333 4.225 1.00 0.00 C ATOM 0 H LEU A 15 -5.144 2.791 4.259 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.682 5.162 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.870 4.814 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.141 6.267 3.614 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.885 3.861 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.157 5.493 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.789 6.030 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.991 6.740 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.834 4.027 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.646 5.179 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.231 3.502 4.779 1.00 0.00 H new ATOM 256 N GLY A 16 -7.829 4.806 4.805 1.00 0.00 N ATOM 257 CA GLY A 16 -9.186 5.186 5.158 1.00 0.00 C ATOM 258 C GLY A 16 -9.875 5.902 3.994 1.00 0.00 C ATOM 259 O GLY A 16 -10.274 7.059 4.122 1.00 0.00 O ATOM 0 H GLY A 16 -7.750 4.240 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.756 4.299 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.170 5.837 6.032 1.00 0.00 H new ATOM 263 N VAL A 17 -9.992 5.186 2.886 1.00 0.00 N ATOM 264 CA VAL A 17 -10.625 5.739 1.701 1.00 0.00 C ATOM 265 C VAL A 17 -11.545 4.685 1.081 1.00 0.00 C ATOM 266 O VAL A 17 -11.488 3.513 1.448 1.00 0.00 O ATOM 267 CB VAL A 17 -9.560 6.248 0.728 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.131 7.326 -0.195 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.332 6.765 1.481 1.00 0.00 C ATOM 0 H VAL A 17 -9.659 4.227 2.784 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.243 6.597 1.964 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.244 5.409 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.353 7.671 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.959 6.912 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.488 8.165 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.590 7.121 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.626 7.584 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.904 5.959 2.077 1.00 0.00 H new ATOM 279 N LYS A 18 -12.374 5.142 0.153 1.00 0.00 N ATOM 280 CA LYS A 18 -13.305 4.254 -0.521 1.00 0.00 C ATOM 281 C LYS A 18 -12.532 3.336 -1.470 1.00 0.00 C ATOM 282 O LYS A 18 -11.323 3.485 -1.636 1.00 0.00 O ATOM 283 CB LYS A 18 -14.411 5.058 -1.207 1.00 0.00 C ATOM 284 CG LYS A 18 -15.395 5.623 -0.182 1.00 0.00 C ATOM 285 CD LYS A 18 -14.857 6.913 0.442 1.00 0.00 C ATOM 286 CE LYS A 18 -14.441 6.686 1.896 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.573 7.939 2.674 1.00 0.00 N ATOM 0 H LYS A 18 -12.420 6.116 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.810 3.613 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.970 5.873 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.943 4.422 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.353 5.820 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.576 4.885 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.003 7.271 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.620 7.690 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.061 5.908 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.410 6.333 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.287 7.768 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.963 8.672 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.562 8.259 2.652 1.00 0.00 H new ATOM 300 N GLN A 19 -13.262 2.406 -2.069 1.00 0.00 N ATOM 301 CA GLN A 19 -12.660 1.465 -2.997 1.00 0.00 C ATOM 302 C GLN A 19 -12.794 1.976 -4.433 1.00 0.00 C ATOM 303 O GLN A 19 -12.589 1.224 -5.385 1.00 0.00 O ATOM 304 CB GLN A 19 -13.284 0.075 -2.850 1.00 0.00 C ATOM 305 CG GLN A 19 -14.789 0.119 -3.117 1.00 0.00 C ATOM 306 CD GLN A 19 -15.572 -0.473 -1.943 1.00 0.00 C ATOM 307 OE1 GLN A 19 -15.895 0.199 -0.977 1.00 0.00 O ATOM 308 NE2 GLN A 19 -15.857 -1.765 -2.079 1.00 0.00 N ATOM 0 H GLN A 19 -14.265 2.285 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.600 1.379 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.808 -0.617 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.100 -0.306 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.102 1.149 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.017 -0.436 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.557 -2.268 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.376 -2.252 -1.349 1.00 0.00 H new ATOM 317 N GLU A 20 -13.136 3.251 -4.544 1.00 0.00 N ATOM 318 CA GLU A 20 -13.299 3.872 -5.847 1.00 0.00 C ATOM 319 C GLU A 20 -12.235 4.950 -6.059 1.00 0.00 C ATOM 320 O GLU A 20 -11.744 5.133 -7.172 1.00 0.00 O ATOM 321 CB GLU A 20 -14.706 4.451 -6.007 1.00 0.00 C ATOM 322 CG GLU A 20 -15.659 3.419 -6.615 1.00 0.00 C ATOM 323 CD GLU A 20 -17.093 3.647 -6.134 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.318 3.864 -4.934 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.993 3.594 -7.057 1.00 0.00 O ATOM 0 H GLU A 20 -13.305 3.871 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.168 3.106 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.083 4.772 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.669 5.336 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.622 3.481 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.335 2.415 -6.342 1.00 0.00 H new ATOM 333 N GLU A 21 -11.910 5.637 -4.973 1.00 0.00 N ATOM 334 CA GLU A 21 -10.913 6.692 -5.026 1.00 0.00 C ATOM 335 C GLU A 21 -9.505 6.094 -5.012 1.00 0.00 C ATOM 336 O GLU A 21 -8.534 6.774 -5.339 1.00 0.00 O ATOM 337 CB GLU A 21 -11.100 7.681 -3.873 1.00 0.00 C ATOM 338 CG GLU A 21 -12.389 8.486 -4.045 1.00 0.00 C ATOM 339 CD GLU A 21 -12.137 9.758 -4.858 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.084 10.395 -4.701 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.081 10.079 -5.676 1.00 0.00 O ATOM 0 H GLU A 21 -12.320 5.483 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.043 7.242 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.128 7.141 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.247 8.358 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.140 7.874 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.791 8.749 -3.067 1.00 0.00 H new ATOM 349 N VAL A 22 -9.439 4.827 -4.629 1.00 0.00 N ATOM 350 CA VAL A 22 -8.166 4.129 -4.568 1.00 0.00 C ATOM 351 C VAL A 22 -7.914 3.420 -5.900 1.00 0.00 C ATOM 352 O VAL A 22 -8.786 2.717 -6.408 1.00 0.00 O ATOM 353 CB VAL A 22 -8.148 3.177 -3.370 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.053 2.120 -3.527 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.983 3.947 -2.059 1.00 0.00 C ATOM 0 H VAL A 22 -10.247 4.266 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.350 4.835 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.108 2.663 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.061 1.456 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.234 1.540 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.082 2.610 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.973 3.246 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.045 4.501 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.813 4.643 -1.939 1.00 0.00 H new ATOM 365 N THR A 23 -6.716 3.629 -6.427 1.00 0.00 N ATOM 366 CA THR A 23 -6.338 3.018 -7.690 1.00 0.00 C ATOM 367 C THR A 23 -4.833 2.749 -7.723 1.00 0.00 C ATOM 368 O THR A 23 -4.109 3.134 -6.806 1.00 0.00 O ATOM 369 CB THR A 23 -6.816 3.933 -8.820 1.00 0.00 C ATOM 370 OG1 THR A 23 -6.147 5.167 -8.573 1.00 0.00 O ATOM 371 CG2 THR A 23 -8.301 4.284 -8.701 1.00 0.00 C ATOM 0 H THR A 23 -5.995 4.213 -6.002 1.00 0.00 H new ATOM 0 HA THR A 23 -6.813 2.045 -7.816 1.00 0.00 H new ATOM 0 HB THR A 23 -6.633 3.450 -9.780 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.398 5.819 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.588 4.935 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.895 3.370 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.479 4.797 -7.756 1.00 0.00 H new ATOM 379 N ASN A 24 -4.405 2.088 -8.789 1.00 0.00 N ATOM 380 CA ASN A 24 -2.998 1.762 -8.953 1.00 0.00 C ATOM 381 C ASN A 24 -2.295 2.909 -9.681 1.00 0.00 C ATOM 382 O ASN A 24 -1.984 2.799 -10.866 1.00 0.00 O ATOM 383 CB ASN A 24 -2.821 0.492 -9.788 1.00 0.00 C ATOM 384 CG ASN A 24 -3.665 0.552 -11.063 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.772 1.065 -11.082 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.082 0.000 -12.123 1.00 0.00 N ATOM 0 H ASN A 24 -5.008 1.769 -9.548 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.570 1.605 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.770 0.368 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.108 -0.378 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.564 -0.011 -13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.153 -0.412 -12.037 1.00 0.00 H new ATOM 393 N ASN A 25 -2.065 3.984 -8.942 1.00 0.00 N ATOM 394 CA ASN A 25 -1.404 5.150 -9.502 1.00 0.00 C ATOM 395 C ASN A 25 -1.656 6.358 -8.597 1.00 0.00 C ATOM 396 O ASN A 25 -0.838 7.275 -8.537 1.00 0.00 O ATOM 397 CB ASN A 25 -1.951 5.479 -10.893 1.00 0.00 C ATOM 398 CG ASN A 25 -3.477 5.365 -10.922 1.00 0.00 C ATOM 399 OD1 ASN A 25 -4.043 4.288 -11.012 1.00 0.00 O ATOM 400 ND2 ASN A 25 -4.108 6.533 -10.841 1.00 0.00 N ATOM 0 H ASN A 25 -2.325 4.072 -7.960 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.339 4.930 -9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.653 6.488 -11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.518 4.801 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.127 6.564 -10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.572 7.398 -10.768 1.00 0.00 H new ATOM 407 N ALA A 26 -2.792 6.321 -7.917 1.00 0.00 N ATOM 408 CA ALA A 26 -3.163 7.401 -7.018 1.00 0.00 C ATOM 409 C ALA A 26 -2.121 7.511 -5.904 1.00 0.00 C ATOM 410 O ALA A 26 -1.530 6.510 -5.499 1.00 0.00 O ATOM 411 CB ALA A 26 -4.572 7.153 -6.477 1.00 0.00 C ATOM 0 H ALA A 26 -3.469 5.560 -7.970 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.181 8.353 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.851 7.963 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.278 7.112 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.593 6.207 -5.936 1.00 0.00 H new ATOM 417 N SER A 27 -1.926 8.736 -5.438 1.00 0.00 N ATOM 418 CA SER A 27 -0.966 8.990 -4.378 1.00 0.00 C ATOM 419 C SER A 27 -1.686 9.513 -3.133 1.00 0.00 C ATOM 420 O SER A 27 -1.700 10.717 -2.880 1.00 0.00 O ATOM 421 CB SER A 27 0.104 9.986 -4.830 1.00 0.00 C ATOM 422 OG SER A 27 0.343 9.912 -6.233 1.00 0.00 O ATOM 0 H SER A 27 -2.417 9.564 -5.776 1.00 0.00 H new ATOM 0 HA SER A 27 -0.470 8.051 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.208 10.997 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.032 9.790 -4.293 1.00 0.00 H new ATOM 0 HG SER A 27 1.031 10.564 -6.483 1.00 0.00 H new ATOM 428 N PHE A 28 -2.266 8.582 -2.390 1.00 0.00 N ATOM 429 CA PHE A 28 -2.986 8.935 -1.178 1.00 0.00 C ATOM 430 C PHE A 28 -2.248 10.025 -0.398 1.00 0.00 C ATOM 431 O PHE A 28 -2.875 10.895 0.203 1.00 0.00 O ATOM 432 CB PHE A 28 -3.060 7.671 -0.318 1.00 0.00 C ATOM 433 CG PHE A 28 -1.756 6.872 -0.273 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.718 7.307 0.490 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.635 5.726 -0.996 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.493 6.566 0.532 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.425 4.985 -0.954 1.00 0.00 C ATOM 438 CZ PHE A 28 0.613 5.420 -0.191 1.00 0.00 C ATOM 0 H PHE A 28 -2.252 7.585 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.976 9.315 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.338 7.951 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.854 7.030 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.814 8.216 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.459 5.380 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.318 6.912 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.329 4.075 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.533 4.855 -0.159 1.00 0.00 H new ATOM 448 N VAL A 29 -0.926 9.942 -0.435 1.00 0.00 N ATOM 449 CA VAL A 29 -0.096 10.910 0.261 1.00 0.00 C ATOM 450 C VAL A 29 -0.719 12.301 0.123 1.00 0.00 C ATOM 451 O VAL A 29 -1.423 12.761 1.021 1.00 0.00 O ATOM 452 CB VAL A 29 1.339 10.843 -0.266 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.174 9.850 0.544 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.361 10.492 -1.755 1.00 0.00 C ATOM 0 H VAL A 29 -0.409 9.219 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.049 10.678 1.325 1.00 0.00 H new ATOM 0 HB VAL A 29 1.785 11.830 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.190 9.821 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.199 10.162 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.729 8.858 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.393 10.451 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.888 9.522 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.818 11.253 -2.316 1.00 0.00 H new ATOM 464 N GLU A 30 -0.437 12.932 -1.007 1.00 0.00 N ATOM 465 CA GLU A 30 -0.960 14.261 -1.273 1.00 0.00 C ATOM 466 C GLU A 30 -2.268 14.168 -2.063 1.00 0.00 C ATOM 467 O GLU A 30 -3.220 14.893 -1.781 1.00 0.00 O ATOM 468 CB GLU A 30 0.068 15.117 -2.015 1.00 0.00 C ATOM 469 CG GLU A 30 -0.243 16.607 -1.857 1.00 0.00 C ATOM 470 CD GLU A 30 -1.235 17.076 -2.924 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.202 16.582 -4.060 1.00 0.00 O ATOM 472 OE2 GLU A 30 -2.062 17.987 -2.536 1.00 0.00 O ATOM 0 H GLU A 30 0.147 12.547 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.167 14.746 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.066 14.907 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.071 14.853 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.655 16.793 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.678 17.185 -1.933 1.00 0.00 H new ATOM 480 N ASP A 31 -2.271 13.269 -3.036 1.00 0.00 N ATOM 481 CA ASP A 31 -3.446 13.071 -3.868 1.00 0.00 C ATOM 482 C ASP A 31 -4.701 13.139 -2.996 1.00 0.00 C ATOM 483 O ASP A 31 -5.552 14.006 -3.192 1.00 0.00 O ATOM 484 CB ASP A 31 -3.416 11.701 -4.548 1.00 0.00 C ATOM 485 CG ASP A 31 -4.324 11.565 -5.771 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.729 12.567 -6.380 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.621 10.353 -6.099 1.00 0.00 O ATOM 0 H ASP A 31 -1.479 12.670 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.454 13.851 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.391 11.484 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.700 10.944 -3.818 1.00 0.00 H new ATOM 493 N LEU A 32 -4.776 12.214 -2.051 1.00 0.00 N ATOM 494 CA LEU A 32 -5.913 12.158 -1.147 1.00 0.00 C ATOM 495 C LEU A 32 -5.544 12.835 0.174 1.00 0.00 C ATOM 496 O LEU A 32 -5.826 14.017 0.370 1.00 0.00 O ATOM 497 CB LEU A 32 -6.397 10.716 -0.984 1.00 0.00 C ATOM 498 CG LEU A 32 -6.946 10.046 -2.246 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.347 8.650 -2.430 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.476 10.015 -2.229 1.00 0.00 C ATOM 0 H LEU A 32 -4.068 11.497 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.757 12.709 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.568 10.116 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.174 10.699 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.645 10.642 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.754 8.196 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.263 8.728 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.597 8.030 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.840 9.534 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.819 9.455 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.860 11.034 -2.179 1.00 0.00 H new ATOM 512 N GLY A 33 -4.918 12.059 1.046 1.00 0.00 N ATOM 513 CA GLY A 33 -4.507 12.569 2.342 1.00 0.00 C ATOM 514 C GLY A 33 -4.165 11.425 3.299 1.00 0.00 C ATOM 515 O GLY A 33 -5.056 10.824 3.898 1.00 0.00 O ATOM 0 H GLY A 33 -4.685 11.080 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.640 13.219 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.305 13.177 2.767 1.00 0.00 H new ATOM 519 N ALA A 34 -2.872 11.157 3.412 1.00 0.00 N ATOM 520 CA ALA A 34 -2.401 10.096 4.285 1.00 0.00 C ATOM 521 C ALA A 34 -0.947 10.369 4.675 1.00 0.00 C ATOM 522 O ALA A 34 -0.025 9.920 3.996 1.00 0.00 O ATOM 523 CB ALA A 34 -2.575 8.745 3.587 1.00 0.00 C ATOM 0 H ALA A 34 -2.136 11.657 2.913 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.988 10.066 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.222 7.949 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.629 8.586 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.999 8.736 2.662 1.00 0.00 H new ATOM 529 N ASP A 35 -0.788 11.103 5.766 1.00 0.00 N ATOM 530 CA ASP A 35 0.539 11.441 6.253 1.00 0.00 C ATOM 531 C ASP A 35 0.685 10.956 7.697 1.00 0.00 C ATOM 532 O ASP A 35 1.396 11.569 8.492 1.00 0.00 O ATOM 533 CB ASP A 35 0.762 12.954 6.238 1.00 0.00 C ATOM 534 CG ASP A 35 1.485 13.489 5.000 1.00 0.00 C ATOM 535 OD1 ASP A 35 2.143 12.733 4.269 1.00 0.00 O ATOM 536 OD2 ASP A 35 1.352 14.755 4.795 1.00 0.00 O ATOM 0 H ASP A 35 -1.555 11.473 6.327 1.00 0.00 H new ATOM 0 HA ASP A 35 1.270 10.962 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.206 13.449 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.335 13.230 7.123 1.00 0.00 H new ATOM 542 N SER A 36 0.002 9.860 7.992 1.00 0.00 N ATOM 543 CA SER A 36 0.047 9.286 9.326 1.00 0.00 C ATOM 544 C SER A 36 -0.006 7.760 9.241 1.00 0.00 C ATOM 545 O SER A 36 0.996 7.086 9.473 1.00 0.00 O ATOM 546 CB SER A 36 -1.102 9.810 10.191 1.00 0.00 C ATOM 547 OG SER A 36 -0.953 9.438 11.558 1.00 0.00 O ATOM 0 H SER A 36 -0.586 9.354 7.330 1.00 0.00 H new ATOM 0 HA SER A 36 0.984 9.585 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.148 10.896 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.048 9.423 9.811 1.00 0.00 H new ATOM 0 HG SER A 36 -1.705 9.792 12.077 1.00 0.00 H new ATOM 553 N LEU A 37 -1.187 7.258 8.907 1.00 0.00 N ATOM 554 CA LEU A 37 -1.384 5.824 8.788 1.00 0.00 C ATOM 555 C LEU A 37 -1.145 5.399 7.338 1.00 0.00 C ATOM 556 O LEU A 37 -1.735 4.428 6.867 1.00 0.00 O ATOM 557 CB LEU A 37 -2.759 5.426 9.327 1.00 0.00 C ATOM 558 CG LEU A 37 -3.249 6.199 10.553 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.729 6.561 10.417 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.965 5.423 11.840 1.00 0.00 C ATOM 0 H LEU A 37 -2.017 7.820 8.715 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.659 5.288 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.490 5.550 8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.736 4.365 9.576 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.693 7.134 10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.052 7.110 11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.872 7.182 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.319 5.650 10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.323 5.995 12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.477 4.462 11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.892 5.259 11.937 1.00 0.00 H new ATOM 572 N ASP A 38 -0.278 6.146 6.671 1.00 0.00 N ATOM 573 CA ASP A 38 0.047 5.859 5.284 1.00 0.00 C ATOM 574 C ASP A 38 0.910 4.598 5.218 1.00 0.00 C ATOM 575 O ASP A 38 0.398 3.502 4.997 1.00 0.00 O ATOM 576 CB ASP A 38 0.838 7.007 4.655 1.00 0.00 C ATOM 577 CG ASP A 38 1.733 6.608 3.480 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.536 5.555 2.856 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.680 7.441 3.209 1.00 0.00 O ATOM 0 H ASP A 38 0.210 6.950 7.065 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.887 5.724 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.136 7.769 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.458 7.466 5.425 1.00 0.00 H new ATOM 585 N THR A 39 2.206 4.795 5.413 1.00 0.00 N ATOM 586 CA THR A 39 3.145 3.687 5.378 1.00 0.00 C ATOM 587 C THR A 39 3.067 2.880 6.675 1.00 0.00 C ATOM 588 O THR A 39 2.861 1.668 6.645 1.00 0.00 O ATOM 589 CB THR A 39 4.538 4.257 5.100 1.00 0.00 C ATOM 590 OG1 THR A 39 4.718 4.065 3.699 1.00 0.00 O ATOM 591 CG2 THR A 39 5.650 3.421 5.736 1.00 0.00 C ATOM 0 H THR A 39 2.628 5.706 5.596 1.00 0.00 H new ATOM 0 HA THR A 39 2.899 2.986 4.581 1.00 0.00 H new ATOM 0 HB THR A 39 4.593 5.279 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.476 4.604 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.617 3.869 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.510 3.390 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.617 2.407 5.337 1.00 0.00 H new ATOM 599 N VAL A 40 3.235 3.585 7.784 1.00 0.00 N ATOM 600 CA VAL A 40 3.186 2.950 9.090 1.00 0.00 C ATOM 601 C VAL A 40 2.122 1.850 9.077 1.00 0.00 C ATOM 602 O VAL A 40 2.447 0.667 9.161 1.00 0.00 O ATOM 603 CB VAL A 40 2.946 4.001 10.175 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.516 3.345 11.489 1.00 0.00 C ATOM 605 CG2 VAL A 40 4.187 4.873 10.378 1.00 0.00 C ATOM 0 H VAL A 40 3.405 4.590 7.805 1.00 0.00 H new ATOM 0 HA VAL A 40 4.141 2.477 9.321 1.00 0.00 H new ATOM 0 HB VAL A 40 2.134 4.647 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.352 4.115 12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.592 2.788 11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.297 2.665 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.989 5.612 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.027 4.246 10.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.430 5.383 9.446 1.00 0.00 H new ATOM 615 N GLU A 41 0.874 2.280 8.971 1.00 0.00 N ATOM 616 CA GLU A 41 -0.240 1.347 8.947 1.00 0.00 C ATOM 617 C GLU A 41 -0.064 0.341 7.808 1.00 0.00 C ATOM 618 O GLU A 41 -0.064 -0.868 8.038 1.00 0.00 O ATOM 619 CB GLU A 41 -1.573 2.088 8.823 1.00 0.00 C ATOM 620 CG GLU A 41 -2.462 1.823 10.039 1.00 0.00 C ATOM 621 CD GLU A 41 -3.886 1.461 9.610 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.298 1.791 8.488 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.572 0.812 10.488 1.00 0.00 O ATOM 0 H GLU A 41 0.609 3.262 8.901 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.252 0.801 9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.391 3.158 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.087 1.770 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.040 1.012 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.484 2.707 10.677 1.00 0.00 H new ATOM 631 N LEU A 42 0.083 0.876 6.605 1.00 0.00 N ATOM 632 CA LEU A 42 0.260 0.039 5.430 1.00 0.00 C ATOM 633 C LEU A 42 1.168 -1.140 5.782 1.00 0.00 C ATOM 634 O LEU A 42 0.866 -2.284 5.443 1.00 0.00 O ATOM 635 CB LEU A 42 0.763 0.873 4.250 1.00 0.00 C ATOM 636 CG LEU A 42 1.328 0.086 3.065 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.559 0.999 1.860 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.597 -0.669 3.464 1.00 0.00 C ATOM 0 H LEU A 42 0.083 1.879 6.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.695 -0.378 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.060 1.491 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.536 1.550 4.613 1.00 0.00 H new ATOM 0 HG LEU A 42 0.590 -0.659 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.961 0.414 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.614 1.451 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.267 1.783 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.978 -1.220 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.351 0.041 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.367 -1.367 4.269 1.00 0.00 H new ATOM 650 N VAL A 43 2.263 -0.823 6.457 1.00 0.00 N ATOM 651 CA VAL A 43 3.217 -1.842 6.858 1.00 0.00 C ATOM 652 C VAL A 43 2.468 -3.012 7.500 1.00 0.00 C ATOM 653 O VAL A 43 2.515 -4.134 6.998 1.00 0.00 O ATOM 654 CB VAL A 43 4.277 -1.234 7.778 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.403 -2.233 8.053 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.830 0.068 7.193 1.00 0.00 C ATOM 0 H VAL A 43 2.511 0.126 6.736 1.00 0.00 H new ATOM 0 HA VAL A 43 3.746 -2.233 5.989 1.00 0.00 H new ATOM 0 HB VAL A 43 3.799 -0.998 8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.143 -1.775 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.992 -3.121 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.877 -2.515 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.582 0.479 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.284 -0.133 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.019 0.786 7.073 1.00 0.00 H new ATOM 666 N MET A 44 1.795 -2.709 8.600 1.00 0.00 N ATOM 667 CA MET A 44 1.037 -3.721 9.316 1.00 0.00 C ATOM 668 C MET A 44 0.193 -4.558 8.352 1.00 0.00 C ATOM 669 O MET A 44 0.309 -5.782 8.322 1.00 0.00 O ATOM 670 CB MET A 44 0.123 -3.045 10.340 1.00 0.00 C ATOM 671 CG MET A 44 0.940 -2.355 11.434 1.00 0.00 C ATOM 672 SD MET A 44 0.052 -0.938 12.058 1.00 0.00 S ATOM 673 CE MET A 44 1.410 0.195 12.304 1.00 0.00 C ATOM 0 H MET A 44 1.759 -1.777 9.013 1.00 0.00 H new ATOM 0 HA MET A 44 1.739 -4.383 9.823 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.512 -2.314 9.839 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.538 -3.787 10.788 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.141 -3.055 12.245 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.906 -2.043 11.036 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.025 1.157 12.643 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.089 -0.209 13.055 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.946 0.330 11.365 1.00 0.00 H new ATOM 683 N ALA A 45 -0.637 -3.864 7.587 1.00 0.00 N ATOM 684 CA ALA A 45 -1.500 -4.528 6.625 1.00 0.00 C ATOM 685 C ALA A 45 -0.646 -5.376 5.681 1.00 0.00 C ATOM 686 O ALA A 45 -0.751 -6.602 5.675 1.00 0.00 O ATOM 687 CB ALA A 45 -2.332 -3.483 5.878 1.00 0.00 C ATOM 0 H ALA A 45 -0.730 -2.849 7.614 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.196 -5.197 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.979 -3.981 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.942 -2.927 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.668 -2.795 5.355 1.00 0.00 H new ATOM 693 N LEU A 46 0.181 -4.691 4.906 1.00 0.00 N ATOM 694 CA LEU A 46 1.053 -5.366 3.960 1.00 0.00 C ATOM 695 C LEU A 46 1.875 -6.425 4.697 1.00 0.00 C ATOM 696 O LEU A 46 2.396 -7.352 4.079 1.00 0.00 O ATOM 697 CB LEU A 46 1.903 -4.350 3.194 1.00 0.00 C ATOM 698 CG LEU A 46 1.135 -3.354 2.322 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.089 -2.558 1.430 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.047 -4.062 1.511 1.00 0.00 C ATOM 0 H LEU A 46 0.266 -3.675 4.914 1.00 0.00 H new ATOM 0 HA LEU A 46 0.465 -5.887 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.499 -3.788 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.601 -4.895 2.559 1.00 0.00 H new ATOM 0 HG LEU A 46 0.635 -2.640 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.518 -1.858 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.794 -2.007 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.636 -3.242 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.484 -3.332 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.504 -4.812 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.655 -4.547 2.189 1.00 0.00 H new ATOM 712 N GLU A 47 1.966 -6.251 6.007 1.00 0.00 N ATOM 713 CA GLU A 47 2.716 -7.180 6.835 1.00 0.00 C ATOM 714 C GLU A 47 1.865 -8.410 7.157 1.00 0.00 C ATOM 715 O GLU A 47 2.312 -9.542 6.979 1.00 0.00 O ATOM 716 CB GLU A 47 3.206 -6.501 8.116 1.00 0.00 C ATOM 717 CG GLU A 47 4.543 -5.795 7.886 1.00 0.00 C ATOM 718 CD GLU A 47 5.576 -6.223 8.930 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.131 -5.370 9.639 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.794 -7.493 8.993 1.00 0.00 O ATOM 0 H GLU A 47 1.533 -5.480 6.516 1.00 0.00 H new ATOM 0 HA GLU A 47 3.594 -7.506 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.463 -5.779 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.314 -7.243 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.913 -6.026 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.401 -4.715 7.931 1.00 0.00 H new ATOM 728 N GLU A 48 0.654 -8.147 7.625 1.00 0.00 N ATOM 729 CA GLU A 48 -0.263 -9.218 7.974 1.00 0.00 C ATOM 730 C GLU A 48 -0.464 -10.154 6.780 1.00 0.00 C ATOM 731 O GLU A 48 -0.631 -11.360 6.954 1.00 0.00 O ATOM 732 CB GLU A 48 -1.600 -8.658 8.462 1.00 0.00 C ATOM 733 CG GLU A 48 -1.841 -9.015 9.931 1.00 0.00 C ATOM 734 CD GLU A 48 -2.568 -10.356 10.056 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.491 -11.191 9.143 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.230 -10.516 11.152 1.00 0.00 O ATOM 0 H GLU A 48 0.286 -7.207 7.771 1.00 0.00 H new ATOM 0 HA GLU A 48 0.173 -9.792 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.611 -7.575 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.410 -9.055 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.888 -9.063 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.430 -8.232 10.408 1.00 0.00 H new ATOM 744 N GLU A 49 -0.441 -9.563 5.595 1.00 0.00 N ATOM 745 CA GLU A 49 -0.618 -10.329 4.373 1.00 0.00 C ATOM 746 C GLU A 49 0.605 -11.211 4.117 1.00 0.00 C ATOM 747 O GLU A 49 0.543 -12.428 4.284 1.00 0.00 O ATOM 748 CB GLU A 49 -0.888 -9.407 3.182 1.00 0.00 C ATOM 749 CG GLU A 49 -2.107 -9.879 2.388 1.00 0.00 C ATOM 750 CD GLU A 49 -1.692 -10.430 1.022 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.995 -9.742 0.262 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.119 -11.619 0.762 1.00 0.00 O ATOM 0 H GLU A 49 -0.302 -8.562 5.455 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.488 -10.975 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.052 -8.389 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.014 -9.382 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.635 -10.649 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.801 -9.050 2.254 1.00 0.00 H new ATOM 760 N PHE A 50 1.689 -10.563 3.716 1.00 0.00 N ATOM 761 CA PHE A 50 2.925 -11.274 3.436 1.00 0.00 C ATOM 762 C PHE A 50 3.842 -11.284 4.661 1.00 0.00 C ATOM 763 O PHE A 50 4.365 -12.331 5.041 1.00 0.00 O ATOM 764 CB PHE A 50 3.623 -10.526 2.298 1.00 0.00 C ATOM 765 CG PHE A 50 3.083 -10.866 0.907 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.777 -11.210 0.750 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.910 -10.824 -0.172 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.277 -11.526 -0.541 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.410 -11.140 -1.463 1.00 0.00 C ATOM 770 CZ PHE A 50 2.104 -11.484 -1.620 1.00 0.00 C ATOM 0 H PHE A 50 1.737 -9.553 3.578 1.00 0.00 H new ATOM 0 HA PHE A 50 2.707 -12.308 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.520 -9.454 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.689 -10.752 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.120 -11.243 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.947 -10.550 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.240 -11.800 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.067 -11.107 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.723 -11.724 -2.602 1.00 0.00 H new ATOM 780 N ASP A 51 4.009 -10.107 5.245 1.00 0.00 N ATOM 781 CA ASP A 51 4.853 -9.967 6.419 1.00 0.00 C ATOM 782 C ASP A 51 6.306 -9.778 5.978 1.00 0.00 C ATOM 783 O ASP A 51 7.081 -10.733 5.956 1.00 0.00 O ATOM 784 CB ASP A 51 4.785 -11.217 7.299 1.00 0.00 C ATOM 785 CG ASP A 51 5.082 -10.982 8.781 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.146 -11.369 9.288 1.00 0.00 O ATOM 787 OD2 ASP A 51 4.155 -10.364 9.432 1.00 0.00 O ATOM 0 H ASP A 51 3.574 -9.241 4.927 1.00 0.00 H new ATOM 0 HA ASP A 51 4.500 -9.106 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.790 -11.653 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.492 -11.952 6.915 1.00 0.00 H new ATOM 793 N THR A 52 6.631 -8.540 5.636 1.00 0.00 N ATOM 794 CA THR A 52 7.977 -8.214 5.197 1.00 0.00 C ATOM 795 C THR A 52 8.405 -6.854 5.753 1.00 0.00 C ATOM 796 O THR A 52 9.402 -6.285 5.312 1.00 0.00 O ATOM 797 CB THR A 52 8.005 -8.281 3.668 1.00 0.00 C ATOM 798 OG1 THR A 52 9.208 -7.606 3.313 1.00 0.00 O ATOM 799 CG2 THR A 52 6.901 -7.438 3.025 1.00 0.00 C ATOM 0 H THR A 52 5.985 -7.751 5.654 1.00 0.00 H new ATOM 0 HA THR A 52 8.703 -8.930 5.582 1.00 0.00 H new ATOM 0 HB THR A 52 7.903 -9.318 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.758 -7.475 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.966 -7.520 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.928 -7.797 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.023 -6.395 3.318 1.00 0.00 H new ATOM 807 N GLU A 53 7.630 -6.374 6.714 1.00 0.00 N ATOM 808 CA GLU A 53 7.917 -5.092 7.336 1.00 0.00 C ATOM 809 C GLU A 53 8.491 -4.118 6.304 1.00 0.00 C ATOM 810 O GLU A 53 9.704 -4.060 6.109 1.00 0.00 O ATOM 811 CB GLU A 53 8.868 -5.258 8.522 1.00 0.00 C ATOM 812 CG GLU A 53 9.963 -6.280 8.208 1.00 0.00 C ATOM 813 CD GLU A 53 11.045 -6.274 9.290 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.923 -6.994 10.292 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.041 -5.487 9.062 1.00 0.00 O ATOM 0 H GLU A 53 6.804 -6.849 7.077 1.00 0.00 H new ATOM 0 HA GLU A 53 6.983 -4.678 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.321 -4.297 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.307 -5.578 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.525 -7.275 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.410 -6.053 7.240 1.00 0.00 H new ATOM 823 N ILE A 54 7.593 -3.379 5.671 1.00 0.00 N ATOM 824 CA ILE A 54 7.995 -2.411 4.665 1.00 0.00 C ATOM 825 C ILE A 54 8.510 -1.147 5.356 1.00 0.00 C ATOM 826 O ILE A 54 7.748 -0.440 6.013 1.00 0.00 O ATOM 827 CB ILE A 54 6.851 -2.152 3.683 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.122 -0.902 2.843 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.509 -2.072 4.413 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.532 -0.935 2.250 1.00 0.00 C ATOM 0 H ILE A 54 6.588 -3.431 5.835 1.00 0.00 H new ATOM 0 HA ILE A 54 8.816 -2.804 4.066 1.00 0.00 H new ATOM 0 HB ILE A 54 6.793 -2.996 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.388 -0.833 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.004 -0.012 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.713 -1.887 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.319 -3.013 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.537 -1.259 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.699 -0.035 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.265 -0.980 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.639 -1.813 1.613 1.00 0.00 H new ATOM 842 N PRO A 55 9.835 -0.895 5.180 1.00 0.00 N ATOM 843 CA PRO A 55 10.461 0.272 5.779 1.00 0.00 C ATOM 844 C PRO A 55 10.082 1.547 5.023 1.00 0.00 C ATOM 845 O PRO A 55 9.917 1.524 3.804 1.00 0.00 O ATOM 846 CB PRO A 55 11.953 -0.020 5.742 1.00 0.00 C ATOM 847 CG PRO A 55 12.137 -1.120 4.710 1.00 0.00 C ATOM 848 CD PRO A 55 10.769 -1.710 4.408 1.00 0.00 C ATOM 0 HA PRO A 55 10.128 0.450 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.519 0.871 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.313 -0.338 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.589 -0.720 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.810 -1.890 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.545 -1.666 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.716 -2.758 4.702 1.00 0.00 H new ATOM 856 N ASP A 56 9.955 2.629 5.777 1.00 0.00 N ATOM 857 CA ASP A 56 9.599 3.910 5.193 1.00 0.00 C ATOM 858 C ASP A 56 10.603 4.263 4.094 1.00 0.00 C ATOM 859 O ASP A 56 10.214 4.630 2.987 1.00 0.00 O ATOM 860 CB ASP A 56 9.637 5.023 6.243 1.00 0.00 C ATOM 861 CG ASP A 56 10.964 5.162 6.991 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.246 4.410 7.936 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.736 6.102 6.562 1.00 0.00 O ATOM 0 H ASP A 56 10.092 2.644 6.788 1.00 0.00 H new ATOM 0 HA ASP A 56 8.590 3.827 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.412 5.971 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.845 4.843 6.970 1.00 0.00 H new ATOM 869 N GLU A 57 11.877 4.138 4.439 1.00 0.00 N ATOM 870 CA GLU A 57 12.940 4.439 3.495 1.00 0.00 C ATOM 871 C GLU A 57 12.642 3.799 2.138 1.00 0.00 C ATOM 872 O GLU A 57 13.098 4.286 1.105 1.00 0.00 O ATOM 873 CB GLU A 57 14.296 3.978 4.033 1.00 0.00 C ATOM 874 CG GLU A 57 14.377 2.450 4.081 1.00 0.00 C ATOM 875 CD GLU A 57 15.419 1.925 3.092 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.506 2.508 2.968 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.067 0.869 2.439 1.00 0.00 O ATOM 0 H GLU A 57 12.196 3.833 5.358 1.00 0.00 H new ATOM 0 HA GLU A 57 12.987 5.520 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.094 4.368 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.453 4.386 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.633 2.127 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.402 2.023 3.848 1.00 0.00 H new ATOM 885 N GLU A 58 11.878 2.718 2.184 1.00 0.00 N ATOM 886 CA GLU A 58 11.513 2.006 0.971 1.00 0.00 C ATOM 887 C GLU A 58 10.051 2.281 0.614 1.00 0.00 C ATOM 888 O GLU A 58 9.653 2.136 -0.541 1.00 0.00 O ATOM 889 CB GLU A 58 11.769 0.505 1.118 1.00 0.00 C ATOM 890 CG GLU A 58 12.761 0.012 0.062 1.00 0.00 C ATOM 891 CD GLU A 58 12.031 -0.611 -1.129 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.260 0.079 -1.813 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.287 -1.858 -1.335 1.00 0.00 O ATOM 0 H GLU A 58 11.501 2.317 3.043 1.00 0.00 H new ATOM 0 HA GLU A 58 12.140 2.370 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.158 0.295 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.829 -0.039 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.377 0.844 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.434 -0.722 0.505 1.00 0.00 H new ATOM 901 N ALA A 59 9.291 2.672 1.626 1.00 0.00 N ATOM 902 CA ALA A 59 7.882 2.968 1.433 1.00 0.00 C ATOM 903 C ALA A 59 7.707 4.472 1.208 1.00 0.00 C ATOM 904 O ALA A 59 6.589 4.982 1.242 1.00 0.00 O ATOM 905 CB ALA A 59 7.084 2.463 2.637 1.00 0.00 C ATOM 0 H ALA A 59 9.625 2.791 2.583 1.00 0.00 H new ATOM 0 HA ALA A 59 7.500 2.455 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.027 2.685 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.218 1.386 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.438 2.958 3.541 1.00 0.00 H new ATOM 911 N GLU A 60 8.830 5.138 0.984 1.00 0.00 N ATOM 912 CA GLU A 60 8.815 6.573 0.753 1.00 0.00 C ATOM 913 C GLU A 60 8.934 6.871 -0.743 1.00 0.00 C ATOM 914 O GLU A 60 8.557 7.951 -1.196 1.00 0.00 O ATOM 915 CB GLU A 60 9.928 7.267 1.541 1.00 0.00 C ATOM 916 CG GLU A 60 9.379 7.907 2.818 1.00 0.00 C ATOM 917 CD GLU A 60 9.947 9.314 3.014 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.172 9.480 3.110 1.00 0.00 O ATOM 919 OE2 GLU A 60 9.066 10.255 3.064 1.00 0.00 O ATOM 0 H GLU A 60 9.756 4.711 0.957 1.00 0.00 H new ATOM 0 HA GLU A 60 7.863 6.969 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.703 6.544 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.397 8.030 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.291 7.954 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.631 7.286 3.678 1.00 0.00 H new ATOM 927 N LYS A 61 9.461 5.896 -1.468 1.00 0.00 N ATOM 928 CA LYS A 61 9.635 6.040 -2.903 1.00 0.00 C ATOM 929 C LYS A 61 8.350 5.611 -3.614 1.00 0.00 C ATOM 930 O LYS A 61 8.149 5.927 -4.786 1.00 0.00 O ATOM 931 CB LYS A 61 10.880 5.283 -3.371 1.00 0.00 C ATOM 932 CG LYS A 61 10.608 3.779 -3.453 1.00 0.00 C ATOM 933 CD LYS A 61 10.933 3.238 -4.847 1.00 0.00 C ATOM 934 CE LYS A 61 9.677 3.176 -5.718 1.00 0.00 C ATOM 935 NZ LYS A 61 9.575 4.385 -6.566 1.00 0.00 N ATOM 0 H LYS A 61 9.773 5.002 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 61 9.810 7.084 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.190 5.654 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.704 5.470 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.207 3.256 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.562 3.582 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.679 3.874 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.370 2.243 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.706 2.285 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.793 3.092 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.969 4.183 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.161 5.163 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.523 4.660 -6.894 1.00 0.00 H new ATOM 948 N ILE A 62 7.514 4.896 -2.876 1.00 0.00 N ATOM 949 CA ILE A 62 6.254 4.420 -3.421 1.00 0.00 C ATOM 950 C ILE A 62 5.253 5.577 -3.467 1.00 0.00 C ATOM 951 O ILE A 62 4.715 5.895 -4.526 1.00 0.00 O ATOM 952 CB ILE A 62 5.755 3.206 -2.635 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.343 3.603 -1.216 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.797 2.085 -2.637 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.033 2.367 -0.369 1.00 0.00 C ATOM 0 H ILE A 62 7.684 4.635 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 62 6.389 4.074 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 62 4.865 2.819 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.143 4.177 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.467 4.250 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.417 1.234 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.999 1.778 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.718 2.444 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.743 2.677 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.217 1.808 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.918 1.734 -0.311 1.00 0.00 H new ATOM 967 N THR A 63 5.035 6.174 -2.304 1.00 0.00 N ATOM 968 CA THR A 63 4.108 7.289 -2.198 1.00 0.00 C ATOM 969 C THR A 63 2.830 6.996 -2.987 1.00 0.00 C ATOM 970 O THR A 63 2.131 7.917 -3.407 1.00 0.00 O ATOM 971 CB THR A 63 4.834 8.552 -2.664 1.00 0.00 C ATOM 972 OG1 THR A 63 3.795 9.519 -2.799 1.00 0.00 O ATOM 973 CG2 THR A 63 5.401 8.415 -4.078 1.00 0.00 C ATOM 0 H THR A 63 5.484 5.907 -1.428 1.00 0.00 H new ATOM 0 HA THR A 63 3.788 7.442 -1.167 1.00 0.00 H new ATOM 0 HB THR A 63 5.643 8.782 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.081 9.156 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.906 9.339 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.113 7.590 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.589 8.218 -4.778 1.00 0.00 H new ATOM 981 N THR A 64 2.563 5.711 -3.164 1.00 0.00 N ATOM 982 CA THR A 64 1.381 5.286 -3.895 1.00 0.00 C ATOM 983 C THR A 64 1.001 3.855 -3.507 1.00 0.00 C ATOM 984 O THR A 64 1.691 3.219 -2.713 1.00 0.00 O ATOM 985 CB THR A 64 1.663 5.456 -5.389 1.00 0.00 C ATOM 986 OG1 THR A 64 2.902 4.782 -5.588 1.00 0.00 O ATOM 987 CG2 THR A 64 1.963 6.908 -5.767 1.00 0.00 C ATOM 0 H THR A 64 3.145 4.950 -2.814 1.00 0.00 H new ATOM 0 HA THR A 64 0.516 5.899 -3.641 1.00 0.00 H new ATOM 0 HB THR A 64 0.806 5.102 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.640 5.419 -5.491 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.156 6.973 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.107 7.534 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.840 7.253 -5.219 1.00 0.00 H new ATOM 995 N VAL A 65 -0.097 3.392 -4.086 1.00 0.00 N ATOM 996 CA VAL A 65 -0.578 2.049 -3.811 1.00 0.00 C ATOM 997 C VAL A 65 0.102 1.063 -4.763 1.00 0.00 C ATOM 998 O VAL A 65 0.658 0.056 -4.327 1.00 0.00 O ATOM 999 CB VAL A 65 -2.105 2.011 -3.903 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.656 0.699 -3.340 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.727 3.215 -3.194 1.00 0.00 C ATOM 0 H VAL A 65 -0.667 3.923 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.319 1.752 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.378 2.065 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.743 0.698 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.251 -0.139 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.367 0.602 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.813 3.164 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.440 3.206 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.372 4.135 -3.659 1.00 0.00 H new ATOM 1011 N GLN A 66 0.037 1.388 -6.046 1.00 0.00 N ATOM 1012 CA GLN A 66 0.640 0.544 -7.063 1.00 0.00 C ATOM 1013 C GLN A 66 2.046 0.117 -6.634 1.00 0.00 C ATOM 1014 O GLN A 66 2.360 -1.072 -6.620 1.00 0.00 O ATOM 1015 CB GLN A 66 0.673 1.255 -8.417 1.00 0.00 C ATOM 1016 CG GLN A 66 1.581 0.517 -9.403 1.00 0.00 C ATOM 1017 CD GLN A 66 0.915 0.393 -10.775 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.212 -0.725 -10.936 1.00 0.00 O flip ATOM 1019 NE2 GLN A 66 1.032 1.254 -11.630 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.424 2.224 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 66 0.027 -0.351 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.336 1.317 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.028 2.277 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.527 1.050 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.813 -0.475 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.587 2.089 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.575 1.140 -12.535 1.00 0.00 H new ATOM 1028 N ALA A 67 2.853 1.111 -6.294 1.00 0.00 N ATOM 1029 CA ALA A 67 4.218 0.853 -5.866 1.00 0.00 C ATOM 1030 C ALA A 67 4.207 -0.180 -4.737 1.00 0.00 C ATOM 1031 O ALA A 67 5.112 -1.007 -4.640 1.00 0.00 O ATOM 1032 CB ALA A 67 4.878 2.168 -5.446 1.00 0.00 C ATOM 0 H ALA A 67 2.588 2.096 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 67 4.806 0.440 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.902 1.975 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.886 2.857 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.317 2.610 -4.623 1.00 0.00 H new ATOM 1038 N ALA A 68 3.173 -0.097 -3.913 1.00 0.00 N ATOM 1039 CA ALA A 68 3.032 -1.015 -2.795 1.00 0.00 C ATOM 1040 C ALA A 68 2.843 -2.436 -3.328 1.00 0.00 C ATOM 1041 O ALA A 68 2.922 -3.403 -2.571 1.00 0.00 O ATOM 1042 CB ALA A 68 1.870 -0.565 -1.908 1.00 0.00 C ATOM 0 H ALA A 68 2.425 0.591 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 68 3.932 -1.011 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.764 -1.254 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.068 0.438 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.949 -0.559 -2.491 1.00 0.00 H new ATOM 1048 N ILE A 69 2.597 -2.519 -4.627 1.00 0.00 N ATOM 1049 CA ILE A 69 2.395 -3.806 -5.270 1.00 0.00 C ATOM 1050 C ILE A 69 3.708 -4.263 -5.910 1.00 0.00 C ATOM 1051 O ILE A 69 4.121 -5.408 -5.739 1.00 0.00 O ATOM 1052 CB ILE A 69 1.224 -3.737 -6.252 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.021 -3.153 -5.581 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.949 -5.107 -6.876 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.043 -2.697 -6.623 1.00 0.00 C ATOM 0 H ILE A 69 2.533 -1.715 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 69 2.119 -4.560 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 69 1.499 -3.063 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.471 -3.901 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.263 -2.310 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.112 -5.029 -7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.835 -5.447 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.704 -5.822 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.918 -2.286 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.598 -1.932 -7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.343 -3.548 -7.235 1.00 0.00 H new ATOM 1067 N ASP A 70 4.327 -3.343 -6.635 1.00 0.00 N ATOM 1068 CA ASP A 70 5.584 -3.636 -7.302 1.00 0.00 C ATOM 1069 C ASP A 70 6.632 -4.026 -6.257 1.00 0.00 C ATOM 1070 O ASP A 70 7.619 -4.686 -6.578 1.00 0.00 O ATOM 1071 CB ASP A 70 6.105 -2.413 -8.059 1.00 0.00 C ATOM 1072 CG ASP A 70 6.636 -2.700 -9.465 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.106 -3.810 -9.756 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.551 -1.714 -10.292 1.00 0.00 O ATOM 0 H ASP A 70 3.981 -2.394 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 70 5.410 -4.449 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.301 -1.681 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.901 -1.954 -7.473 1.00 0.00 H new ATOM 1080 N TYR A 71 6.381 -3.602 -5.027 1.00 0.00 N ATOM 1081 CA TYR A 71 7.289 -3.899 -3.933 1.00 0.00 C ATOM 1082 C TYR A 71 7.016 -5.289 -3.355 1.00 0.00 C ATOM 1083 O TYR A 71 7.934 -6.093 -3.201 1.00 0.00 O ATOM 1084 CB TYR A 71 7.011 -2.848 -2.856 1.00 0.00 C ATOM 1085 CG TYR A 71 6.823 -3.429 -1.453 1.00 0.00 C ATOM 1086 CD1 TYR A 71 7.773 -4.280 -0.926 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.703 -3.102 -0.715 1.00 0.00 C ATOM 1088 CE1 TYR A 71 7.596 -4.827 0.394 1.00 0.00 C ATOM 1089 CE2 TYR A 71 5.526 -3.649 0.605 1.00 0.00 C ATOM 1090 CZ TYR A 71 6.481 -4.485 1.095 1.00 0.00 C ATOM 1091 OH TYR A 71 6.314 -5.001 2.342 1.00 0.00 O ATOM 0 H TYR A 71 5.561 -3.055 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 71 8.323 -3.881 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.836 -2.136 -2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.116 -2.290 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.649 -4.536 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.960 -2.436 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.332 -5.494 0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.655 -3.401 1.193 1.00 0.00 H new ATOM 0 HH TYR A 71 5.499 -4.632 2.742 1.00 0.00 H new ATOM 1101 N ILE A 72 5.749 -5.530 -3.050 1.00 0.00 N ATOM 1102 CA ILE A 72 5.343 -6.808 -2.492 1.00 0.00 C ATOM 1103 C ILE A 72 5.691 -7.924 -3.480 1.00 0.00 C ATOM 1104 O ILE A 72 5.914 -9.065 -3.079 1.00 0.00 O ATOM 1105 CB ILE A 72 3.865 -6.776 -2.097 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.674 -6.079 -0.749 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.265 -8.183 -2.106 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.859 -7.063 0.408 1.00 0.00 C ATOM 0 H ILE A 72 4.990 -4.861 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 72 5.890 -7.013 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 72 3.324 -6.191 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.389 -5.262 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.678 -5.639 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.214 -8.132 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.350 -8.609 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.803 -8.812 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.718 -6.542 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.127 -7.866 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.864 -7.483 0.371 1.00 0.00 H new ATOM 1120 N ASN A 73 5.728 -7.555 -4.752 1.00 0.00 N ATOM 1121 CA ASN A 73 6.045 -8.510 -5.799 1.00 0.00 C ATOM 1122 C ASN A 73 7.564 -8.657 -5.907 1.00 0.00 C ATOM 1123 O ASN A 73 8.069 -9.749 -6.164 1.00 0.00 O ATOM 1124 CB ASN A 73 5.519 -8.036 -7.155 1.00 0.00 C ATOM 1125 CG ASN A 73 4.167 -8.678 -7.474 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.081 -9.762 -8.028 1.00 0.00 O ATOM 1127 ND2 ASN A 73 3.120 -7.952 -7.096 1.00 0.00 N ATOM 0 H ASN A 73 5.544 -6.607 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 73 5.576 -9.460 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.418 -6.951 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.238 -8.286 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.174 -8.294 -7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.262 -7.052 -6.637 1.00 0.00 H new ATOM 1134 N GLY A 74 8.250 -7.542 -5.704 1.00 0.00 N ATOM 1135 CA GLY A 74 9.701 -7.532 -5.775 1.00 0.00 C ATOM 1136 C GLY A 74 10.306 -8.510 -4.765 1.00 0.00 C ATOM 1137 O GLY A 74 11.479 -8.867 -4.867 1.00 0.00 O ATOM 0 H GLY A 74 7.827 -6.639 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.021 -7.799 -6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.071 -6.526 -5.579 1.00 0.00 H new ATOM 1141 N HIS A 75 9.478 -8.916 -3.814 1.00 0.00 N ATOM 1142 CA HIS A 75 9.916 -9.846 -2.787 1.00 0.00 C ATOM 1143 C HIS A 75 9.027 -11.091 -2.808 1.00 0.00 C ATOM 1144 O HIS A 75 8.464 -11.473 -1.784 1.00 0.00 O ATOM 1145 CB HIS A 75 9.950 -9.165 -1.417 1.00 0.00 C ATOM 1146 CG HIS A 75 10.788 -7.910 -1.376 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.334 -6.689 -1.842 1.00 0.00 N ATOM 1148 CD2 HIS A 75 12.056 -7.699 -0.918 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.293 -5.791 -1.669 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.360 -6.420 -1.097 1.00 0.00 N ATOM 0 H HIS A 75 8.506 -8.618 -3.733 1.00 0.00 H new ATOM 0 HA HIS A 75 10.937 -10.168 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.931 -8.919 -1.120 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.335 -9.871 -0.681 1.00 0.00 H new ATOM 0 HD1 HIS A 75 9.416 -6.510 -2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.703 -8.447 -0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.239 -4.745 -1.934 1.00 0.00 H new