USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 372 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 154 LYS NZ :NH3+ -138:sc= -0.541 (180deg=-1.81!) USER MOD Set 1.2: A 155 ASN : amide:sc= -0.0474 X(o=-0.59,f=-0.43) USER MOD Single : A 126 ASN : amide:sc= -0.272 K(o=-0.27,f=-2!) USER MOD Single : A 132 MET CE :methyl 166:sc= -1.23 (180deg=-1.58) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.14) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 150:sc= -0.0666 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -6.786 11.481 -10.831 1.00 0.00 N ATOM 2 CA ASN A 126 -7.889 10.564 -11.220 1.00 0.00 C ATOM 3 C ASN A 126 -7.846 9.274 -10.408 1.00 0.00 C ATOM 4 O ASN A 126 -7.070 9.151 -9.459 1.00 0.00 O ATOM 5 CB ASN A 126 -7.762 10.255 -12.713 1.00 0.00 C ATOM 6 CG ASN A 126 -8.765 11.024 -13.550 1.00 0.00 C ATOM 7 OD1 ASN A 126 -9.811 11.444 -13.054 1.00 0.00 O ATOM 8 ND2 ASN A 126 -8.451 11.211 -14.826 1.00 0.00 N ATOM 0 HA ASN A 126 -8.845 11.047 -11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -6.753 10.497 -13.047 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -7.903 9.186 -12.873 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.088 11.721 -15.438 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -7.573 10.845 -15.194 1.00 0.00 H new ATOM 17 N ARG A 127 -8.683 8.313 -10.786 1.00 0.00 N ATOM 18 CA ARG A 127 -8.741 7.031 -10.093 1.00 0.00 C ATOM 19 C ARG A 127 -7.723 6.054 -10.672 1.00 0.00 C ATOM 20 O ARG A 127 -7.795 5.688 -11.845 1.00 0.00 O ATOM 21 CB ARG A 127 -10.147 6.438 -10.189 1.00 0.00 C ATOM 22 CG ARG A 127 -11.154 7.103 -9.266 1.00 0.00 C ATOM 23 CD ARG A 127 -11.771 8.335 -9.909 1.00 0.00 C ATOM 24 NE ARG A 127 -12.855 7.988 -10.825 1.00 0.00 N ATOM 25 CZ ARG A 127 -14.088 7.679 -10.431 1.00 0.00 C ATOM 26 NH1 ARG A 127 -14.398 7.671 -9.140 1.00 0.00 N ATOM 27 NH2 ARG A 127 -15.015 7.376 -11.330 1.00 0.00 N ATOM 0 H ARG A 127 -9.331 8.398 -11.569 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.498 7.202 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -10.498 6.523 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -10.100 5.374 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -11.940 6.392 -9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -10.664 7.385 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -12.151 8.998 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -11.001 8.886 -10.450 1.00 0.00 H new ATOM 0 HE ARG A 127 -12.655 7.982 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -13.689 7.903 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -15.345 7.433 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -14.783 7.380 -12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -15.960 7.139 -11.028 1.00 0.00 H new ATOM 41 N ARG A 128 -6.775 5.634 -9.840 1.00 0.00 N ATOM 42 CA ARG A 128 -5.742 4.699 -10.269 1.00 0.00 C ATOM 43 C ARG A 128 -5.149 3.962 -9.074 1.00 0.00 C ATOM 44 O ARG A 128 -4.976 2.744 -9.104 1.00 0.00 O ATOM 45 CB ARG A 128 -4.638 5.437 -11.028 1.00 0.00 C ATOM 46 CG ARG A 128 -3.691 4.511 -11.778 1.00 0.00 C ATOM 47 CD ARG A 128 -3.604 4.874 -13.252 1.00 0.00 C ATOM 48 NE ARG A 128 -4.417 3.988 -14.083 1.00 0.00 N ATOM 49 CZ ARG A 128 -4.799 4.280 -15.324 1.00 0.00 C ATOM 50 NH1 ARG A 128 -4.445 5.430 -15.882 1.00 0.00 N ATOM 51 NH2 ARG A 128 -5.537 3.418 -16.010 1.00 0.00 N ATOM 0 H ARG A 128 -6.701 5.926 -8.866 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.202 3.968 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.095 6.127 -11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.063 6.038 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.699 4.564 -11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.032 3.481 -11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.932 5.904 -13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.565 4.824 -13.577 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.709 3.094 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.877 6.097 -15.360 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.741 5.648 -16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.812 2.532 -15.587 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.830 3.641 -16.961 1.00 0.00 H new ATOM 65 N VAL A 129 -4.839 4.711 -8.024 1.00 0.00 N ATOM 66 CA VAL A 129 -4.265 4.137 -6.814 1.00 0.00 C ATOM 67 C VAL A 129 -5.164 4.390 -5.608 1.00 0.00 C ATOM 68 O VAL A 129 -5.783 5.448 -5.491 1.00 0.00 O ATOM 69 CB VAL A 129 -2.860 4.710 -6.529 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.354 4.263 -5.162 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.885 4.300 -7.623 1.00 0.00 C ATOM 0 H VAL A 129 -4.976 5.721 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.180 3.063 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.933 5.798 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.363 4.681 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.037 4.614 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.300 3.175 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.900 4.713 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.822 3.213 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.234 4.681 -8.583 1.00 0.00 H new ATOM 81 N ILE A 130 -5.221 3.414 -4.710 1.00 0.00 N ATOM 82 CA ILE A 130 -6.033 3.528 -3.506 1.00 0.00 C ATOM 83 C ILE A 130 -5.215 3.171 -2.272 1.00 0.00 C ATOM 84 O ILE A 130 -4.823 2.021 -2.082 1.00 0.00 O ATOM 85 CB ILE A 130 -7.277 2.622 -3.577 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.064 2.918 -4.853 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.158 2.822 -2.351 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.807 1.926 -5.967 1.00 0.00 C ATOM 0 H ILE A 130 -4.713 2.533 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.363 4.564 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.951 1.582 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.129 2.923 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.810 3.919 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.031 2.173 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.593 2.575 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.482 3.862 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.399 2.199 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.749 1.938 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.088 0.926 -5.636 1.00 0.00 H new ATOM 100 N ALA A 131 -4.956 4.172 -1.442 1.00 0.00 N ATOM 101 CA ALA A 131 -4.177 3.974 -0.225 1.00 0.00 C ATOM 102 C ALA A 131 -4.231 5.205 0.671 1.00 0.00 C ATOM 103 O ALA A 131 -4.383 6.329 0.193 1.00 0.00 O ATOM 104 CB ALA A 131 -2.734 3.638 -0.576 1.00 0.00 C ATOM 0 H ALA A 131 -5.274 5.130 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.613 3.140 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.161 3.492 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.707 2.724 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.299 4.457 -1.150 1.00 0.00 H new ATOM 110 N MET A 132 -4.102 4.985 1.975 1.00 0.00 N ATOM 111 CA MET A 132 -4.131 6.075 2.941 1.00 0.00 C ATOM 112 C MET A 132 -3.022 7.085 2.655 1.00 0.00 C ATOM 113 O MET A 132 -1.960 6.725 2.145 1.00 0.00 O ATOM 114 CB MET A 132 -3.988 5.525 4.362 1.00 0.00 C ATOM 115 CG MET A 132 -5.287 5.527 5.149 1.00 0.00 C ATOM 116 SD MET A 132 -5.028 5.789 6.915 1.00 0.00 S ATOM 117 CE MET A 132 -4.807 7.566 6.965 1.00 0.00 C ATOM 0 H MET A 132 -3.976 4.060 2.387 1.00 0.00 H new ATOM 0 HA MET A 132 -5.090 6.585 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.605 4.506 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.247 6.117 4.899 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.941 6.308 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.801 4.578 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.885 7.913 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.824 7.822 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.577 8.046 6.361 1.00 0.00 H new ATOM 127 N PRO A 133 -3.253 8.367 2.984 1.00 0.00 N ATOM 128 CA PRO A 133 -2.268 9.431 2.761 1.00 0.00 C ATOM 129 C PRO A 133 -0.886 9.061 3.289 1.00 0.00 C ATOM 130 O PRO A 133 0.130 9.555 2.799 1.00 0.00 O ATOM 131 CB PRO A 133 -2.842 10.612 3.542 1.00 0.00 C ATOM 132 CG PRO A 133 -4.312 10.375 3.559 1.00 0.00 C ATOM 133 CD PRO A 133 -4.492 8.882 3.598 1.00 0.00 C ATOM 0 HA PRO A 133 -2.120 9.636 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.436 10.653 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.599 11.560 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.773 10.846 4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.786 10.802 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.614 8.519 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.375 8.570 3.041 1.00 0.00 H new ATOM 141 N SER A 134 -0.855 8.190 4.293 1.00 0.00 N ATOM 142 CA SER A 134 0.402 7.755 4.889 1.00 0.00 C ATOM 143 C SER A 134 0.933 6.502 4.197 1.00 0.00 C ATOM 144 O SER A 134 2.141 6.278 4.143 1.00 0.00 O ATOM 145 CB SER A 134 0.215 7.483 6.383 1.00 0.00 C ATOM 146 OG SER A 134 -0.397 8.587 7.029 1.00 0.00 O ATOM 0 H SER A 134 -1.686 7.772 4.710 1.00 0.00 H new ATOM 0 HA SER A 134 1.130 8.555 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.398 6.592 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 134 1.182 7.279 6.843 1.00 0.00 H new ATOM 0 HG SER A 134 -0.507 8.388 7.982 1.00 0.00 H new ATOM 152 N VAL A 135 0.023 5.689 3.669 1.00 0.00 N ATOM 153 CA VAL A 135 0.405 4.460 2.985 1.00 0.00 C ATOM 154 C VAL A 135 1.132 4.756 1.685 1.00 0.00 C ATOM 155 O VAL A 135 2.214 4.229 1.437 1.00 0.00 O ATOM 156 CB VAL A 135 -0.815 3.576 2.682 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.399 2.315 1.934 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.539 3.228 3.969 1.00 0.00 C ATOM 0 H VAL A 135 -0.982 5.859 3.702 1.00 0.00 H new ATOM 0 HA VAL A 135 1.073 3.925 3.660 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.497 4.133 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.279 1.705 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.077 2.591 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.304 1.746 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.402 2.601 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.863 2.689 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.873 4.143 4.457 1.00 0.00 H new ATOM 168 N ARG A 136 0.535 5.600 0.859 1.00 0.00 N ATOM 169 CA ARG A 136 1.142 5.957 -0.415 1.00 0.00 C ATOM 170 C ARG A 136 2.553 6.480 -0.184 1.00 0.00 C ATOM 171 O ARG A 136 3.434 6.313 -1.025 1.00 0.00 O ATOM 172 CB ARG A 136 0.299 7.013 -1.131 1.00 0.00 C ATOM 173 CG ARG A 136 -1.121 6.561 -1.429 1.00 0.00 C ATOM 174 CD ARG A 136 -2.052 7.743 -1.647 1.00 0.00 C ATOM 175 NE ARG A 136 -2.776 7.644 -2.912 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.216 7.851 -4.103 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.931 8.166 -4.195 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.946 7.740 -5.205 1.00 0.00 N ATOM 0 H ARG A 136 -0.362 6.048 1.045 1.00 0.00 H new ATOM 0 HA ARG A 136 1.189 5.068 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.263 7.914 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.789 7.283 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.123 5.928 -2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.491 5.954 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.765 7.799 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.474 8.667 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.767 7.403 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.365 8.251 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.509 8.323 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.934 7.497 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.519 7.898 -6.118 1.00 0.00 H new ATOM 192 N LYS A 137 2.758 7.091 0.978 1.00 0.00 N ATOM 193 CA LYS A 137 4.060 7.617 1.349 1.00 0.00 C ATOM 194 C LYS A 137 4.972 6.487 1.803 1.00 0.00 C ATOM 195 O LYS A 137 6.169 6.481 1.514 1.00 0.00 O ATOM 196 CB LYS A 137 3.917 8.658 2.461 1.00 0.00 C ATOM 197 CG LYS A 137 5.219 9.361 2.808 1.00 0.00 C ATOM 198 CD LYS A 137 5.522 10.485 1.830 1.00 0.00 C ATOM 199 CE LYS A 137 7.007 10.562 1.512 1.00 0.00 C ATOM 200 NZ LYS A 137 7.305 11.620 0.507 1.00 0.00 N ATOM 0 H LYS A 137 2.032 7.233 1.681 1.00 0.00 H new ATOM 0 HA LYS A 137 4.502 8.098 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.181 9.403 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.527 8.171 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.158 9.763 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.036 8.640 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.959 10.329 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.189 11.434 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.564 10.763 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.348 9.598 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.335 11.745 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.920 11.339 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.869 12.516 0.806 1.00 0.00 H new ATOM 214 N TYR A 138 4.392 5.535 2.530 1.00 0.00 N ATOM 215 CA TYR A 138 5.149 4.403 3.040 1.00 0.00 C ATOM 216 C TYR A 138 5.616 3.500 1.904 1.00 0.00 C ATOM 217 O TYR A 138 6.788 3.142 1.833 1.00 0.00 O ATOM 218 CB TYR A 138 4.291 3.605 4.012 1.00 0.00 C ATOM 219 CG TYR A 138 4.980 2.364 4.519 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.178 2.447 5.215 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.442 1.108 4.287 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.818 1.313 5.667 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.074 -0.029 4.736 1.00 0.00 C ATOM 224 CZ TYR A 138 6.263 0.075 5.426 1.00 0.00 C ATOM 225 OH TYR A 138 6.896 -1.061 5.874 1.00 0.00 O ATOM 0 H TYR A 138 3.402 5.528 2.777 1.00 0.00 H new ATOM 0 HA TYR A 138 6.029 4.785 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.025 4.238 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.360 3.323 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.616 3.416 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.512 1.020 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.750 1.394 6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.640 -1.000 4.548 1.00 0.00 H new ATOM 0 HH TYR A 138 6.371 -1.849 5.621 1.00 0.00 H new ATOM 235 N ALA A 139 4.703 3.160 1.003 1.00 0.00 N ATOM 236 CA ALA A 139 5.049 2.333 -0.140 1.00 0.00 C ATOM 237 C ALA A 139 5.988 3.112 -1.038 1.00 0.00 C ATOM 238 O ALA A 139 7.020 2.611 -1.471 1.00 0.00 O ATOM 239 CB ALA A 139 3.804 1.913 -0.907 1.00 0.00 C ATOM 0 H ALA A 139 3.724 3.443 1.043 1.00 0.00 H new ATOM 0 HA ALA A 139 5.540 1.425 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.092 1.295 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.147 1.343 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.280 2.800 -1.264 1.00 0.00 H new ATOM 245 N ARG A 140 5.627 4.365 -1.287 1.00 0.00 N ATOM 246 CA ARG A 140 6.444 5.243 -2.112 1.00 0.00 C ATOM 247 C ARG A 140 7.866 5.308 -1.558 1.00 0.00 C ATOM 248 O ARG A 140 8.832 5.455 -2.308 1.00 0.00 O ATOM 249 CB ARG A 140 5.829 6.646 -2.157 1.00 0.00 C ATOM 250 CG ARG A 140 6.715 7.685 -2.829 1.00 0.00 C ATOM 251 CD ARG A 140 7.502 8.489 -1.808 1.00 0.00 C ATOM 252 NE ARG A 140 8.199 9.618 -2.421 1.00 0.00 N ATOM 253 CZ ARG A 140 9.221 10.256 -1.854 1.00 0.00 C ATOM 254 NH1 ARG A 140 9.668 9.880 -0.663 1.00 0.00 N ATOM 255 NH2 ARG A 140 9.798 11.271 -2.481 1.00 0.00 N ATOM 0 H ARG A 140 4.774 4.795 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 140 6.480 4.843 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.877 6.598 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.613 6.970 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.404 7.190 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.100 8.357 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.826 8.856 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 140 8.226 7.840 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 140 7.884 9.936 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 140 9.228 9.098 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 140 10.451 10.372 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.459 11.563 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 140 10.581 11.760 -2.047 1.00 0.00 H new ATOM 269 N GLU A 141 7.980 5.191 -0.239 1.00 0.00 N ATOM 270 CA GLU A 141 9.272 5.228 0.430 1.00 0.00 C ATOM 271 C GLU A 141 9.931 3.856 0.423 1.00 0.00 C ATOM 272 O GLU A 141 11.151 3.739 0.307 1.00 0.00 O ATOM 273 CB GLU A 141 9.099 5.705 1.870 1.00 0.00 C ATOM 274 CG GLU A 141 8.918 7.207 1.997 1.00 0.00 C ATOM 275 CD GLU A 141 10.238 7.952 2.034 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.223 7.443 1.460 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.286 9.046 2.635 1.00 0.00 O ATOM 0 H GLU A 141 7.186 5.069 0.390 1.00 0.00 H new ATOM 0 HA GLU A 141 9.914 5.923 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.235 5.205 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.970 5.402 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.324 7.570 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.356 7.426 2.905 1.00 0.00 H new ATOM 284 N LYS A 142 9.113 2.820 0.567 1.00 0.00 N ATOM 285 CA LYS A 142 9.603 1.448 0.597 1.00 0.00 C ATOM 286 C LYS A 142 9.801 0.888 -0.812 1.00 0.00 C ATOM 287 O LYS A 142 9.787 -0.327 -1.006 1.00 0.00 O ATOM 288 CB LYS A 142 8.610 0.568 1.363 1.00 0.00 C ATOM 289 CG LYS A 142 8.581 0.758 2.883 1.00 0.00 C ATOM 290 CD LYS A 142 9.545 1.826 3.385 1.00 0.00 C ATOM 291 CE LYS A 142 10.860 1.218 3.840 1.00 0.00 C ATOM 292 NZ LYS A 142 11.614 2.129 4.746 1.00 0.00 N ATOM 0 H LYS A 142 8.101 2.906 0.665 1.00 0.00 H new ATOM 0 HA LYS A 142 10.571 1.447 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.610 0.759 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.841 -0.476 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.569 1.023 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.821 -0.190 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.733 2.550 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.089 2.370 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.665 0.276 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.472 0.985 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.505 1.675 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.823 3.018 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.041 2.331 5.590 1.00 0.00 H new ATOM 306 N GLY A 143 9.977 1.770 -1.796 1.00 0.00 N ATOM 307 CA GLY A 143 10.161 1.317 -3.165 1.00 0.00 C ATOM 308 C GLY A 143 9.005 0.459 -3.647 1.00 0.00 C ATOM 309 O GLY A 143 9.143 -0.311 -4.597 1.00 0.00 O ATOM 0 H GLY A 143 9.995 2.782 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.267 2.181 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.088 0.748 -3.236 1.00 0.00 H new ATOM 313 N VAL A 144 7.864 0.596 -2.979 1.00 0.00 N ATOM 314 CA VAL A 144 6.668 -0.161 -3.319 1.00 0.00 C ATOM 315 C VAL A 144 5.583 0.754 -3.878 1.00 0.00 C ATOM 316 O VAL A 144 5.409 1.883 -3.418 1.00 0.00 O ATOM 317 CB VAL A 144 6.117 -0.901 -2.081 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.728 -1.467 -2.349 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.073 -2.002 -1.653 1.00 0.00 C ATOM 0 H VAL A 144 7.744 1.232 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 144 6.948 -0.890 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 144 6.030 -0.180 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.367 -1.982 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.046 -0.654 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.776 -2.170 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.670 -2.514 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.194 -2.716 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.041 -1.567 -1.404 1.00 0.00 H new ATOM 329 N ASP A 145 4.848 0.252 -4.860 1.00 0.00 N ATOM 330 CA ASP A 145 3.768 1.006 -5.473 1.00 0.00 C ATOM 331 C ASP A 145 2.438 0.314 -5.217 1.00 0.00 C ATOM 332 O ASP A 145 2.304 -0.890 -5.438 1.00 0.00 O ATOM 333 CB ASP A 145 4.007 1.158 -6.976 1.00 0.00 C ATOM 334 CG ASP A 145 3.125 2.222 -7.598 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.978 2.393 -7.130 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.579 2.888 -8.552 1.00 0.00 O ATOM 0 H ASP A 145 4.983 -0.681 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 145 3.739 2.000 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.053 1.410 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.822 0.203 -7.469 1.00 0.00 H new ATOM 341 N ILE A 146 1.455 1.074 -4.754 1.00 0.00 N ATOM 342 CA ILE A 146 0.134 0.523 -4.470 1.00 0.00 C ATOM 343 C ILE A 146 -0.401 -0.262 -5.668 1.00 0.00 C ATOM 344 O ILE A 146 -1.251 -1.139 -5.517 1.00 0.00 O ATOM 345 CB ILE A 146 -0.873 1.631 -4.101 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.300 2.535 -3.005 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.193 1.025 -3.649 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.013 1.803 -1.718 1.00 0.00 C ATOM 0 H ILE A 146 1.545 2.073 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 146 0.247 -0.148 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.056 2.236 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.610 3.008 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.012 3.333 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.891 1.822 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.611 0.422 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.024 0.396 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.415 2.506 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.898 1.353 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.748 1.022 -1.913 1.00 0.00 H new ATOM 360 N ARG A 147 0.110 0.051 -6.858 1.00 0.00 N ATOM 361 CA ARG A 147 -0.318 -0.634 -8.071 1.00 0.00 C ATOM 362 C ARG A 147 0.038 -2.113 -7.998 1.00 0.00 C ATOM 363 O ARG A 147 -0.688 -2.968 -8.504 1.00 0.00 O ATOM 364 CB ARG A 147 0.332 0.001 -9.301 1.00 0.00 C ATOM 365 CG ARG A 147 -0.421 1.212 -9.830 1.00 0.00 C ATOM 366 CD ARG A 147 0.531 2.271 -10.363 1.00 0.00 C ATOM 367 NE ARG A 147 1.239 1.821 -11.559 1.00 0.00 N ATOM 368 CZ ARG A 147 1.848 2.641 -12.412 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.839 3.952 -12.206 1.00 0.00 N ATOM 370 NH2 ARG A 147 2.469 2.149 -13.476 1.00 0.00 N ATOM 0 H ARG A 147 0.817 0.771 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.400 -0.536 -8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.351 0.298 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.402 -0.746 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.101 0.901 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.032 1.638 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.028 3.178 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.254 2.530 -9.590 1.00 0.00 H new ATOM 0 HE ARG A 147 1.268 0.820 -11.751 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.363 4.337 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.308 4.575 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.480 1.142 -13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.936 2.777 -14.130 1.00 0.00 H new ATOM 384 N LEU A 148 1.164 -2.403 -7.356 1.00 0.00 N ATOM 385 CA LEU A 148 1.629 -3.771 -7.200 1.00 0.00 C ATOM 386 C LEU A 148 1.029 -4.413 -5.949 1.00 0.00 C ATOM 387 O LEU A 148 1.211 -5.606 -5.708 1.00 0.00 O ATOM 388 CB LEU A 148 3.157 -3.801 -7.116 1.00 0.00 C ATOM 389 CG LEU A 148 3.872 -2.610 -7.755 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.369 -2.697 -7.517 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.568 -2.541 -9.244 1.00 0.00 C ATOM 0 H LEU A 148 1.773 -1.702 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 148 1.304 -4.341 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.445 -3.856 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.512 -4.715 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 148 3.504 -1.696 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.861 -1.841 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.568 -2.695 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.754 -3.617 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.085 -1.687 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.907 -3.457 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.494 -2.429 -9.391 1.00 0.00 H new ATOM 403 N VAL A 149 0.320 -3.614 -5.152 1.00 0.00 N ATOM 404 CA VAL A 149 -0.295 -4.110 -3.928 1.00 0.00 C ATOM 405 C VAL A 149 -1.815 -4.140 -4.044 1.00 0.00 C ATOM 406 O VAL A 149 -2.439 -3.151 -4.427 1.00 0.00 O ATOM 407 CB VAL A 149 0.095 -3.243 -2.715 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.260 -3.951 -1.417 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.577 -2.897 -2.753 1.00 0.00 C ATOM 0 H VAL A 149 0.159 -2.623 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 149 0.075 -5.125 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.471 -2.313 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.023 -3.324 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.333 -4.139 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.276 -4.899 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.830 -2.285 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.165 -3.814 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.798 -2.344 -3.666 1.00 0.00 H new ATOM 419 N GLN A 150 -2.405 -5.283 -3.706 1.00 0.00 N ATOM 420 CA GLN A 150 -3.852 -5.443 -3.767 1.00 0.00 C ATOM 421 C GLN A 150 -4.501 -4.960 -2.474 1.00 0.00 C ATOM 422 O GLN A 150 -4.635 -5.719 -1.514 1.00 0.00 O ATOM 423 CB GLN A 150 -4.212 -6.909 -4.018 1.00 0.00 C ATOM 424 CG GLN A 150 -5.290 -7.100 -5.073 1.00 0.00 C ATOM 425 CD GLN A 150 -5.731 -8.545 -5.200 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.926 -8.843 -5.224 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.766 -9.453 -5.282 1.00 0.00 N ATOM 0 H GLN A 150 -1.902 -6.111 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.230 -4.839 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.315 -7.447 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.547 -7.357 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.152 -6.481 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.917 -6.752 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.789 -9.162 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.002 -10.442 -5.369 1.00 0.00 H new ATOM 436 N GLY A 151 -4.899 -3.691 -2.454 1.00 0.00 N ATOM 437 CA GLY A 151 -5.523 -3.129 -1.272 1.00 0.00 C ATOM 438 C GLY A 151 -6.771 -3.881 -0.854 1.00 0.00 C ATOM 439 O GLY A 151 -7.649 -4.140 -1.674 1.00 0.00 O ATOM 0 H GLY A 151 -4.800 -3.043 -3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.807 -3.137 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.779 -2.087 -1.462 1.00 0.00 H new ATOM 443 N THR A 152 -6.845 -4.232 0.426 1.00 0.00 N ATOM 444 CA THR A 152 -7.994 -4.954 0.961 1.00 0.00 C ATOM 445 C THR A 152 -8.699 -4.138 2.044 1.00 0.00 C ATOM 446 O THR A 152 -9.337 -4.699 2.936 1.00 0.00 O ATOM 447 CB THR A 152 -7.552 -6.305 1.528 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.174 -6.288 1.850 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.786 -7.457 0.575 1.00 0.00 C ATOM 0 H THR A 152 -6.120 -4.027 1.114 1.00 0.00 H new ATOM 0 HA THR A 152 -8.698 -5.121 0.146 1.00 0.00 H new ATOM 0 HB THR A 152 -8.163 -6.459 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.912 -7.160 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.451 -8.386 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.849 -7.529 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.226 -7.288 -0.345 1.00 0.00 H new ATOM 457 N GLY A 153 -8.569 -2.815 1.975 1.00 0.00 N ATOM 458 CA GLY A 153 -9.189 -1.958 2.971 1.00 0.00 C ATOM 459 C GLY A 153 -10.433 -1.248 2.469 1.00 0.00 C ATOM 460 O GLY A 153 -10.393 -0.547 1.459 1.00 0.00 O ATOM 0 H GLY A 153 -8.047 -2.323 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.450 -2.558 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.464 -1.214 3.301 1.00 0.00 H new ATOM 464 N LYS A 154 -11.535 -1.420 3.191 1.00 0.00 N ATOM 465 CA LYS A 154 -12.804 -0.786 2.838 1.00 0.00 C ATOM 466 C LYS A 154 -13.246 -1.154 1.419 1.00 0.00 C ATOM 467 O LYS A 154 -14.056 -2.061 1.232 1.00 0.00 O ATOM 468 CB LYS A 154 -12.698 0.735 2.985 1.00 0.00 C ATOM 469 CG LYS A 154 -13.636 1.309 4.035 1.00 0.00 C ATOM 470 CD LYS A 154 -14.990 1.659 3.439 1.00 0.00 C ATOM 471 CE LYS A 154 -14.902 2.872 2.528 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.883 2.489 1.089 1.00 0.00 N ATOM 0 H LYS A 154 -11.576 -1.997 4.031 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.562 -1.159 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.672 0.997 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.913 1.201 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.767 0.587 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.189 2.200 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.372 0.807 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.701 1.856 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.751 3.530 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.001 3.438 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -14.182 3.068 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.630 1.484 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.824 2.646 0.675 1.00 0.00 H new ATOM 486 N ASN A 155 -12.718 -0.445 0.424 1.00 0.00 N ATOM 487 CA ASN A 155 -13.074 -0.700 -0.966 1.00 0.00 C ATOM 488 C ASN A 155 -11.878 -1.226 -1.753 1.00 0.00 C ATOM 489 O ASN A 155 -11.754 -0.979 -2.952 1.00 0.00 O ATOM 490 CB ASN A 155 -13.609 0.577 -1.619 1.00 0.00 C ATOM 491 CG ASN A 155 -15.031 0.417 -2.121 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.269 0.313 -3.325 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.987 0.399 -1.199 1.00 0.00 N ATOM 0 H ASN A 155 -12.044 0.309 0.556 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.853 -1.462 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.571 1.394 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -12.962 0.855 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.963 0.296 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.745 0.488 -0.212 1.00 0.00 H new ATOM 500 N GLY A 156 -11.002 -1.954 -1.071 1.00 0.00 N ATOM 501 CA GLY A 156 -9.831 -2.505 -1.725 1.00 0.00 C ATOM 502 C GLY A 156 -8.621 -1.597 -1.622 1.00 0.00 C ATOM 503 O GLY A 156 -7.730 -1.639 -2.471 1.00 0.00 O ATOM 0 H GLY A 156 -11.082 -2.172 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.593 -3.472 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.057 -2.684 -2.776 1.00 0.00 H new ATOM 507 N ARG A 157 -8.590 -0.770 -0.582 1.00 0.00 N ATOM 508 CA ARG A 157 -7.486 0.158 -0.369 1.00 0.00 C ATOM 509 C ARG A 157 -6.298 -0.544 0.282 1.00 0.00 C ATOM 510 O ARG A 157 -6.465 -1.500 1.038 1.00 0.00 O ATOM 511 CB ARG A 157 -7.948 1.330 0.501 1.00 0.00 C ATOM 512 CG ARG A 157 -6.837 2.298 0.872 1.00 0.00 C ATOM 513 CD ARG A 157 -7.304 3.310 1.906 1.00 0.00 C ATOM 514 NE ARG A 157 -7.152 2.809 3.270 1.00 0.00 N ATOM 515 CZ ARG A 157 -7.804 3.303 4.320 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.652 4.312 4.168 1.00 0.00 N ATOM 517 NH2 ARG A 157 -7.607 2.788 5.525 1.00 0.00 N ATOM 0 H ARG A 157 -9.320 -0.724 0.129 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.165 0.537 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.730 1.875 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.394 0.937 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.985 1.743 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.494 2.820 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.735 4.233 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.350 3.557 1.725 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.508 2.034 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.807 4.713 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.149 4.687 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.956 2.013 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.107 3.167 6.329 1.00 0.00 H new ATOM 531 N VAL A 158 -5.095 -0.063 -0.023 1.00 0.00 N ATOM 532 CA VAL A 158 -3.876 -0.644 0.526 1.00 0.00 C ATOM 533 C VAL A 158 -3.577 -0.089 1.913 1.00 0.00 C ATOM 534 O VAL A 158 -3.657 1.116 2.147 1.00 0.00 O ATOM 535 CB VAL A 158 -2.661 -0.392 -0.397 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.348 -0.664 0.325 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.757 -1.247 -1.648 1.00 0.00 C ATOM 0 H VAL A 158 -4.940 0.728 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.045 -1.718 0.599 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.676 0.659 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.515 -0.477 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.266 -0.007 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.322 -1.703 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.894 -1.057 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.776 -2.300 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.670 -0.999 -2.189 1.00 0.00 H new ATOM 547 N LEU A 159 -3.215 -0.984 2.822 1.00 0.00 N ATOM 548 CA LEU A 159 -2.879 -0.604 4.185 1.00 0.00 C ATOM 549 C LEU A 159 -1.374 -0.693 4.393 1.00 0.00 C ATOM 550 O LEU A 159 -0.680 -1.366 3.633 1.00 0.00 O ATOM 551 CB LEU A 159 -3.597 -1.522 5.178 1.00 0.00 C ATOM 552 CG LEU A 159 -5.128 -1.431 5.166 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.713 -2.120 6.389 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.583 0.020 5.102 1.00 0.00 C ATOM 0 H LEU A 159 -3.147 -1.985 2.637 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.202 0.423 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.309 -2.552 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.244 -1.290 6.183 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.492 -1.942 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.800 -2.045 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.421 -3.170 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.337 -1.639 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.672 0.060 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.206 0.558 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.197 0.483 4.194 1.00 0.00 H new ATOM 566 N LYS A 160 -0.862 -0.027 5.422 1.00 0.00 N ATOM 567 CA LYS A 160 0.569 -0.073 5.693 1.00 0.00 C ATOM 568 C LYS A 160 1.016 -1.521 5.842 1.00 0.00 C ATOM 569 O LYS A 160 2.134 -1.880 5.471 1.00 0.00 O ATOM 570 CB LYS A 160 0.916 0.721 6.952 1.00 0.00 C ATOM 571 CG LYS A 160 2.412 0.916 7.149 1.00 0.00 C ATOM 572 CD LYS A 160 2.821 0.687 8.595 1.00 0.00 C ATOM 573 CE LYS A 160 4.245 1.151 8.853 1.00 0.00 C ATOM 574 NZ LYS A 160 4.510 2.488 8.255 1.00 0.00 N ATOM 0 H LYS A 160 -1.405 0.541 6.072 1.00 0.00 H new ATOM 0 HA LYS A 160 1.095 0.383 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.433 1.697 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.506 0.207 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.957 0.228 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.691 1.926 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.138 1.221 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.734 -0.373 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.424 1.192 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.944 0.424 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.223 2.988 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.862 2.370 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.630 3.042 8.239 1.00 0.00 H new ATOM 588 N GLU A 161 0.120 -2.355 6.364 1.00 0.00 N ATOM 589 CA GLU A 161 0.408 -3.770 6.532 1.00 0.00 C ATOM 590 C GLU A 161 0.585 -4.412 5.164 1.00 0.00 C ATOM 591 O GLU A 161 1.440 -5.277 4.973 1.00 0.00 O ATOM 592 CB GLU A 161 -0.722 -4.461 7.298 1.00 0.00 C ATOM 593 CG GLU A 161 -0.841 -4.010 8.744 1.00 0.00 C ATOM 594 CD GLU A 161 -0.375 -5.067 9.726 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.728 -5.618 9.527 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.114 -5.343 10.695 1.00 0.00 O ATOM 0 H GLU A 161 -0.809 -2.073 6.676 1.00 0.00 H new ATOM 0 HA GLU A 161 1.327 -3.882 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.666 -4.269 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.560 -5.539 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.254 -3.103 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.879 -3.755 8.957 1.00 0.00 H new ATOM 603 N ASP A 162 -0.221 -3.959 4.206 1.00 0.00 N ATOM 604 CA ASP A 162 -0.147 -4.464 2.842 1.00 0.00 C ATOM 605 C ASP A 162 1.223 -4.155 2.252 1.00 0.00 C ATOM 606 O ASP A 162 1.898 -5.032 1.712 1.00 0.00 O ATOM 607 CB ASP A 162 -1.243 -3.834 1.981 1.00 0.00 C ATOM 608 CG ASP A 162 -2.543 -4.609 2.034 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.511 -5.840 1.828 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.596 -3.983 2.282 1.00 0.00 O ATOM 0 H ASP A 162 -0.932 -3.243 4.352 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.295 -5.544 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.420 -2.812 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.900 -3.777 0.948 1.00 0.00 H new ATOM 615 N ILE A 163 1.628 -2.896 2.378 1.00 0.00 N ATOM 616 CA ILE A 163 2.925 -2.443 1.882 1.00 0.00 C ATOM 617 C ILE A 163 4.041 -3.328 2.420 1.00 0.00 C ATOM 618 O ILE A 163 4.832 -3.886 1.658 1.00 0.00 O ATOM 619 CB ILE A 163 3.219 -0.990 2.311 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.044 -0.075 1.976 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.501 -0.486 1.653 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.673 -0.098 0.518 1.00 0.00 C ATOM 0 H ILE A 163 1.073 -2.165 2.823 1.00 0.00 H new ATOM 0 HA ILE A 163 2.885 -2.499 0.794 1.00 0.00 H new ATOM 0 HB ILE A 163 3.359 -0.976 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.179 -0.373 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.293 0.946 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.692 0.540 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.337 -1.119 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.391 -0.519 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.831 0.573 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.525 0.228 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.394 -1.111 0.230 1.00 0.00 H new ATOM 634 N ASP A 164 4.095 -3.452 3.743 1.00 0.00 N ATOM 635 CA ASP A 164 5.109 -4.269 4.394 1.00 0.00 C ATOM 636 C ASP A 164 5.048 -5.706 3.887 1.00 0.00 C ATOM 637 O ASP A 164 6.076 -6.366 3.733 1.00 0.00 O ATOM 638 CB ASP A 164 4.921 -4.240 5.911 1.00 0.00 C ATOM 639 CG ASP A 164 6.223 -4.446 6.660 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.295 -4.232 6.055 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.172 -4.822 7.849 1.00 0.00 O ATOM 0 H ASP A 164 3.446 -2.996 4.384 1.00 0.00 H new ATOM 0 HA ASP A 164 6.088 -3.856 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.485 -3.284 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.212 -5.015 6.201 1.00 0.00 H new ATOM 646 N ALA A 165 3.835 -6.182 3.624 1.00 0.00 N ATOM 647 CA ALA A 165 3.637 -7.537 3.128 1.00 0.00 C ATOM 648 C ALA A 165 4.296 -7.712 1.766 1.00 0.00 C ATOM 649 O ALA A 165 4.917 -8.739 1.491 1.00 0.00 O ATOM 650 CB ALA A 165 2.152 -7.860 3.046 1.00 0.00 C ATOM 0 H ALA A 165 2.975 -5.648 3.747 1.00 0.00 H new ATOM 0 HA ALA A 165 4.105 -8.231 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.021 -8.876 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.706 -7.776 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.664 -7.159 2.368 1.00 0.00 H new ATOM 656 N TRP A 166 4.162 -6.696 0.920 1.00 0.00 N ATOM 657 CA TRP A 166 4.753 -6.727 -0.413 1.00 0.00 C ATOM 658 C TRP A 166 6.258 -6.949 -0.324 1.00 0.00 C ATOM 659 O TRP A 166 6.796 -7.900 -0.893 1.00 0.00 O ATOM 660 CB TRP A 166 4.468 -5.415 -1.145 1.00 0.00 C ATOM 661 CG TRP A 166 4.756 -5.473 -2.615 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.724 -4.783 -3.286 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.068 -6.257 -3.596 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.679 -5.090 -4.624 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.673 -5.993 -4.839 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.001 -7.159 -3.545 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.245 -6.596 -6.019 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.577 -7.758 -4.717 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.200 -7.474 -5.939 1.00 0.00 C ATOM 0 H TRP A 166 3.649 -5.841 1.134 1.00 0.00 H new ATOM 0 HA TRP A 166 4.307 -7.552 -0.968 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.422 -5.147 -0.999 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.066 -4.621 -0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.423 -4.096 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.295 -4.707 -5.341 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.516 -7.384 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.721 -6.378 -6.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.753 -8.455 -4.690 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.847 -7.959 -6.837 1.00 0.00 H new ATOM 680 N LEU A 167 6.926 -6.061 0.400 1.00 0.00 N ATOM 681 CA LEU A 167 8.370 -6.143 0.581 1.00 0.00 C ATOM 682 C LEU A 167 8.752 -7.407 1.343 1.00 0.00 C ATOM 683 O LEU A 167 9.823 -7.976 1.128 1.00 0.00 O ATOM 684 CB LEU A 167 8.874 -4.909 1.328 1.00 0.00 C ATOM 685 CG LEU A 167 8.500 -3.573 0.681 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.828 -2.656 1.691 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.730 -2.903 0.083 1.00 0.00 C ATOM 0 H LEU A 167 6.488 -5.271 0.874 1.00 0.00 H new ATOM 0 HA LEU A 167 8.837 -6.183 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.478 -4.929 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.960 -4.967 1.408 1.00 0.00 H new ATOM 0 HG LEU A 167 7.792 -3.770 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.570 -1.712 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.922 -3.131 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.509 -2.467 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.443 -1.955 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.463 -2.721 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.165 -3.553 -0.676 1.00 0.00 H new ATOM 699 N ALA A 168 7.871 -7.841 2.237 1.00 0.00 N ATOM 700 CA ALA A 168 8.113 -9.038 3.034 1.00 0.00 C ATOM 701 C ALA A 168 8.073 -10.294 2.169 1.00 0.00 C ATOM 702 O ALA A 168 8.676 -11.312 2.508 1.00 0.00 O ATOM 703 CB ALA A 168 7.094 -9.138 4.159 1.00 0.00 C ATOM 0 H ALA A 168 6.981 -7.381 2.428 1.00 0.00 H new ATOM 0 HA ALA A 168 9.110 -8.959 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.287 -10.036 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.174 -8.261 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.090 -9.189 3.737 1.00 0.00 H new ATOM 709 N GLY A 169 7.358 -10.218 1.050 1.00 0.00 N ATOM 710 CA GLY A 169 7.255 -11.357 0.157 1.00 0.00 C ATOM 711 C GLY A 169 6.124 -12.292 0.537 1.00 0.00 C ATOM 712 O GLY A 169 6.210 -13.501 0.322 1.00 0.00 O ATOM 0 H GLY A 169 6.849 -9.388 0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.102 -11.003 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.196 -11.908 0.166 1.00 0.00 H new ATOM 716 N GLY A 170 5.061 -11.730 1.105 1.00 0.00 N ATOM 717 CA GLY A 170 3.924 -12.537 1.507 1.00 0.00 C ATOM 718 C GLY A 170 4.076 -13.096 2.907 1.00 0.00 C ATOM 719 O GLY A 170 3.966 -14.330 3.069 1.00 0.00 O ATOM 720 OXT GLY A 170 4.305 -12.301 3.843 1.00 0.00 O ATOM 0 H GLY A 170 4.967 -10.732 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 170 3.018 -11.933 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.799 -13.359 0.802 1.00 0.00 H new TER 724 GLY A 170