USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=3 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 Single : A 126 ASN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 132 MET CE :methyl 128:sc= -0.286 (180deg=-1.78!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.016) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 9.394 2.827 13.712 1.00 0.00 N ATOM 2 CA ASN A 126 8.489 3.037 12.551 1.00 0.00 C ATOM 3 C ASN A 126 7.304 3.918 12.929 1.00 0.00 C ATOM 4 O ASN A 126 6.323 3.445 13.502 1.00 0.00 O ATOM 5 CB ASN A 126 7.998 1.672 12.065 1.00 0.00 C ATOM 6 CG ASN A 126 9.011 0.974 11.180 1.00 0.00 C ATOM 7 OD1 ASN A 126 9.446 -0.140 11.471 1.00 0.00 O ATOM 8 ND2 ASN A 126 9.395 1.629 10.090 1.00 0.00 N ATOM 0 HA ASN A 126 9.036 3.546 11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.776 1.041 12.926 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.066 1.799 11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.076 1.210 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.009 2.551 9.886 1.00 0.00 H new ATOM 17 N ARG A 127 7.402 5.204 12.603 1.00 0.00 N ATOM 18 CA ARG A 127 6.336 6.153 12.909 1.00 0.00 C ATOM 19 C ARG A 127 5.599 6.570 11.642 1.00 0.00 C ATOM 20 O ARG A 127 4.380 6.741 11.647 1.00 0.00 O ATOM 21 CB ARG A 127 6.909 7.386 13.610 1.00 0.00 C ATOM 22 CG ARG A 127 5.921 8.071 14.539 1.00 0.00 C ATOM 23 CD ARG A 127 6.139 9.575 14.573 1.00 0.00 C ATOM 24 NE ARG A 127 5.737 10.158 15.850 1.00 0.00 N ATOM 25 CZ ARG A 127 5.510 11.457 16.034 1.00 0.00 C ATOM 26 NH1 ARG A 127 5.644 12.310 15.026 1.00 0.00 N ATOM 27 NH2 ARG A 127 5.146 11.903 17.228 1.00 0.00 N ATOM 0 H ARG A 127 8.207 5.612 12.128 1.00 0.00 H new ATOM 0 HA ARG A 127 5.626 5.662 13.575 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.789 7.092 14.182 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.242 8.100 12.857 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.904 7.857 14.211 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.024 7.665 15.545 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.191 9.793 14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.572 10.042 13.767 1.00 0.00 H new ATOM 0 HE ARG A 127 5.623 9.533 16.648 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.922 11.971 14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.469 13.304 15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.040 11.251 18.005 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.972 12.898 17.369 1.00 0.00 H new ATOM 41 N ARG A 128 6.348 6.733 10.557 1.00 0.00 N ATOM 42 CA ARG A 128 5.766 7.131 9.280 1.00 0.00 C ATOM 43 C ARG A 128 5.705 5.948 8.319 1.00 0.00 C ATOM 44 O ARG A 128 6.230 4.872 8.609 1.00 0.00 O ATOM 45 CB ARG A 128 6.578 8.268 8.658 1.00 0.00 C ATOM 46 CG ARG A 128 8.070 7.983 8.589 1.00 0.00 C ATOM 47 CD ARG A 128 8.680 8.513 7.301 1.00 0.00 C ATOM 48 NE ARG A 128 9.651 7.582 6.730 1.00 0.00 N ATOM 49 CZ ARG A 128 10.537 7.915 5.796 1.00 0.00 C ATOM 50 NH1 ARG A 128 10.578 9.154 5.322 1.00 0.00 N ATOM 51 NH2 ARG A 128 11.384 7.007 5.333 1.00 0.00 N ATOM 0 H ARG A 128 7.359 6.596 10.536 1.00 0.00 H new ATOM 0 HA ARG A 128 4.750 7.479 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 128 6.206 8.460 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.417 9.177 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.569 8.440 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.240 6.909 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.888 8.701 6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.166 9.469 7.497 1.00 0.00 H new ATOM 0 HE ARG A 128 9.649 6.620 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.928 9.857 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.260 9.404 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.356 6.053 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.064 7.262 4.617 1.00 0.00 H new ATOM 65 N VAL A 129 5.063 6.153 7.175 1.00 0.00 N ATOM 66 CA VAL A 129 4.933 5.104 6.172 1.00 0.00 C ATOM 67 C VAL A 129 5.404 5.590 4.805 1.00 0.00 C ATOM 68 O VAL A 129 5.233 6.759 4.458 1.00 0.00 O ATOM 69 CB VAL A 129 3.478 4.612 6.056 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.392 3.409 5.128 1.00 0.00 C ATOM 71 CG2 VAL A 129 2.915 4.275 7.429 1.00 0.00 C ATOM 0 H VAL A 129 4.624 7.037 6.919 1.00 0.00 H new ATOM 0 HA VAL A 129 5.562 4.276 6.498 1.00 0.00 H new ATOM 0 HB VAL A 129 2.877 5.415 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.356 3.076 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.750 3.688 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.008 2.600 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.886 3.929 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.517 3.490 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.937 5.164 8.060 1.00 0.00 H new ATOM 81 N ILE A 130 5.997 4.685 4.034 1.00 0.00 N ATOM 82 CA ILE A 130 6.493 5.019 2.705 1.00 0.00 C ATOM 83 C ILE A 130 5.616 4.405 1.620 1.00 0.00 C ATOM 84 O ILE A 130 5.547 3.184 1.481 1.00 0.00 O ATOM 85 CB ILE A 130 7.943 4.540 2.507 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.809 4.954 3.699 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.511 5.098 1.211 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.022 3.843 4.704 1.00 0.00 C ATOM 0 H ILE A 130 6.146 3.714 4.307 1.00 0.00 H new ATOM 0 HA ILE A 130 6.463 6.105 2.623 1.00 0.00 H new ATOM 0 HB ILE A 130 7.946 3.452 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.778 5.294 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.342 5.802 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.537 4.751 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.906 4.756 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.498 6.187 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.644 4.206 5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.059 3.519 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.517 3.002 4.218 1.00 0.00 H new ATOM 100 N ALA A 131 4.948 5.259 0.852 1.00 0.00 N ATOM 101 CA ALA A 131 4.077 4.798 -0.223 1.00 0.00 C ATOM 102 C ALA A 131 3.627 5.962 -1.099 1.00 0.00 C ATOM 103 O ALA A 131 3.438 7.079 -0.617 1.00 0.00 O ATOM 104 CB ALA A 131 2.874 4.066 0.350 1.00 0.00 C ATOM 0 H ALA A 131 4.993 6.273 0.954 1.00 0.00 H new ATOM 0 HA ALA A 131 4.643 4.106 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.233 3.728 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.213 3.206 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.313 4.739 0.998 1.00 0.00 H new ATOM 110 N MET A 132 3.458 5.695 -2.390 1.00 0.00 N ATOM 111 CA MET A 132 3.033 6.721 -3.334 1.00 0.00 C ATOM 112 C MET A 132 1.551 7.046 -3.163 1.00 0.00 C ATOM 113 O MET A 132 0.761 6.194 -2.752 1.00 0.00 O ATOM 114 CB MET A 132 3.303 6.266 -4.770 1.00 0.00 C ATOM 115 CG MET A 132 4.769 6.336 -5.166 1.00 0.00 C ATOM 116 SD MET A 132 5.442 8.004 -5.047 1.00 0.00 S ATOM 117 CE MET A 132 4.663 8.786 -6.458 1.00 0.00 C ATOM 0 H MET A 132 3.609 4.776 -2.806 1.00 0.00 H new ATOM 0 HA MET A 132 3.609 7.624 -3.129 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.952 5.241 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.721 6.884 -5.453 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.346 5.669 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.883 5.975 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.174 9.706 -6.140 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.419 9.018 -7.209 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.922 8.110 -6.885 1.00 0.00 H new ATOM 127 N PRO A 133 1.151 8.291 -3.479 1.00 0.00 N ATOM 128 CA PRO A 133 -0.243 8.726 -3.362 1.00 0.00 C ATOM 129 C PRO A 133 -1.198 7.793 -4.098 1.00 0.00 C ATOM 130 O PRO A 133 -2.364 7.661 -3.727 1.00 0.00 O ATOM 131 CB PRO A 133 -0.243 10.112 -4.011 1.00 0.00 C ATOM 132 CG PRO A 133 1.161 10.593 -3.877 1.00 0.00 C ATOM 133 CD PRO A 133 2.028 9.368 -3.978 1.00 0.00 C ATOM 0 HA PRO A 133 -0.584 8.729 -2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.545 10.059 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.941 10.783 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.405 11.310 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.311 11.100 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.347 9.184 -5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.931 9.463 -3.375 1.00 0.00 H new ATOM 141 N SER A 134 -0.693 7.145 -5.144 1.00 0.00 N ATOM 142 CA SER A 134 -1.500 6.219 -5.929 1.00 0.00 C ATOM 143 C SER A 134 -1.933 5.032 -5.077 1.00 0.00 C ATOM 144 O SER A 134 -3.094 4.624 -5.105 1.00 0.00 O ATOM 145 CB SER A 134 -0.715 5.730 -7.147 1.00 0.00 C ATOM 146 OG SER A 134 0.559 5.237 -6.771 1.00 0.00 O ATOM 0 H SER A 134 0.270 7.244 -5.466 1.00 0.00 H new ATOM 0 HA SER A 134 -2.390 6.746 -6.272 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.277 4.945 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.596 6.547 -7.859 1.00 0.00 H new ATOM 0 HG SER A 134 1.039 4.929 -7.568 1.00 0.00 H new ATOM 152 N VAL A 135 -0.993 4.488 -4.312 1.00 0.00 N ATOM 153 CA VAL A 135 -1.277 3.354 -3.445 1.00 0.00 C ATOM 154 C VAL A 135 -2.165 3.774 -2.284 1.00 0.00 C ATOM 155 O VAL A 135 -3.156 3.113 -1.975 1.00 0.00 O ATOM 156 CB VAL A 135 0.018 2.725 -2.902 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.287 1.500 -2.052 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.943 2.364 -4.050 1.00 0.00 C ATOM 0 H VAL A 135 -0.028 4.815 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.799 2.609 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 135 0.517 3.457 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.645 1.074 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.915 1.789 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.809 0.758 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.857 1.920 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.446 1.650 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.191 3.263 -4.614 1.00 0.00 H new ATOM 168 N ARG A 136 -1.813 4.886 -1.652 1.00 0.00 N ATOM 169 CA ARG A 136 -2.592 5.403 -0.534 1.00 0.00 C ATOM 170 C ARG A 136 -4.034 5.614 -0.965 1.00 0.00 C ATOM 171 O ARG A 136 -4.971 5.196 -0.285 1.00 0.00 O ATOM 172 CB ARG A 136 -1.998 6.718 -0.032 1.00 0.00 C ATOM 173 CG ARG A 136 -1.012 6.540 1.108 1.00 0.00 C ATOM 174 CD ARG A 136 -1.700 6.630 2.463 1.00 0.00 C ATOM 175 NE ARG A 136 -2.082 8.003 2.794 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.298 8.510 2.599 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.263 7.770 2.065 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.552 9.767 2.938 1.00 0.00 N ATOM 0 H ARG A 136 -0.995 5.446 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.563 4.677 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.498 7.221 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.807 7.371 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.517 5.573 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.236 7.303 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.587 5.997 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.034 6.243 3.234 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.371 8.611 3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.077 6.803 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.191 8.169 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.817 10.343 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.483 10.157 2.789 1.00 0.00 H new ATOM 192 N LYS A 137 -4.196 6.255 -2.115 1.00 0.00 N ATOM 193 CA LYS A 137 -5.518 6.512 -2.669 1.00 0.00 C ATOM 194 C LYS A 137 -6.238 5.191 -2.929 1.00 0.00 C ATOM 195 O LYS A 137 -7.437 5.063 -2.681 1.00 0.00 O ATOM 196 CB LYS A 137 -5.396 7.325 -3.964 1.00 0.00 C ATOM 197 CG LYS A 137 -6.585 7.182 -4.904 1.00 0.00 C ATOM 198 CD LYS A 137 -6.406 8.020 -6.160 1.00 0.00 C ATOM 199 CE LYS A 137 -7.740 8.330 -6.819 1.00 0.00 C ATOM 200 NZ LYS A 137 -7.953 7.520 -8.050 1.00 0.00 N ATOM 0 H LYS A 137 -3.426 6.607 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.101 7.090 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.273 8.378 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.492 7.017 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.709 6.135 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.496 7.486 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.899 8.951 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.766 7.489 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.547 8.136 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -7.783 9.390 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -8.874 7.761 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.197 7.723 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -7.937 6.509 -7.807 1.00 0.00 H new ATOM 214 N TRP A 138 -5.489 4.207 -3.423 1.00 0.00 N ATOM 215 CA TRP A 138 -6.046 2.894 -3.707 1.00 0.00 C ATOM 216 C TRP A 138 -6.556 2.249 -2.422 1.00 0.00 C ATOM 217 O TRP A 138 -7.694 1.784 -2.353 1.00 0.00 O ATOM 218 CB TRP A 138 -4.984 2.016 -4.372 1.00 0.00 C ATOM 219 CG TRP A 138 -5.377 0.580 -4.500 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.836 -0.474 -3.829 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.391 0.040 -5.353 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.450 -1.643 -4.211 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.411 -1.353 -5.146 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.286 0.598 -6.270 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.290 -2.193 -5.824 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.157 -0.236 -6.942 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.155 -1.619 -6.716 1.00 0.00 C ATOM 0 H TRP A 138 -4.495 4.298 -3.634 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.888 3.000 -4.391 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.768 2.413 -5.364 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.061 2.080 -3.795 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -4.040 -0.402 -3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.228 -2.573 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.296 1.663 -6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.289 -3.259 -5.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.852 0.185 -7.654 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.850 -2.245 -7.257 1.00 0.00 H new ATOM 238 N ALA A 139 -5.707 2.242 -1.403 1.00 0.00 N ATOM 239 CA ALA A 139 -6.063 1.676 -0.113 1.00 0.00 C ATOM 240 C ALA A 139 -7.210 2.460 0.515 1.00 0.00 C ATOM 241 O ALA A 139 -8.101 1.888 1.134 1.00 0.00 O ATOM 242 CB ALA A 139 -4.851 1.674 0.808 1.00 0.00 C ATOM 0 H ALA A 139 -4.763 2.625 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.392 0.647 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.128 1.248 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.056 1.076 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.500 2.696 0.950 1.00 0.00 H new ATOM 248 N ARG A 140 -7.180 3.777 0.344 1.00 0.00 N ATOM 249 CA ARG A 140 -8.218 4.644 0.891 1.00 0.00 C ATOM 250 C ARG A 140 -9.565 4.371 0.228 1.00 0.00 C ATOM 251 O ARG A 140 -10.617 4.544 0.845 1.00 0.00 O ATOM 252 CB ARG A 140 -7.833 6.112 0.704 1.00 0.00 C ATOM 253 CG ARG A 140 -8.692 7.074 1.513 1.00 0.00 C ATOM 254 CD ARG A 140 -7.924 7.651 2.692 1.00 0.00 C ATOM 255 NE ARG A 140 -8.779 7.846 3.859 1.00 0.00 N ATOM 256 CZ ARG A 140 -9.141 6.868 4.686 1.00 0.00 C ATOM 257 NH1 ARG A 140 -8.726 5.624 4.475 1.00 0.00 N ATOM 258 NH2 ARG A 140 -9.921 7.132 5.726 1.00 0.00 N ATOM 0 H ARG A 140 -6.448 4.268 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.310 4.430 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.789 6.244 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.912 6.368 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.036 7.884 0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.579 6.555 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.103 6.983 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.480 8.604 2.404 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.119 8.788 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.127 5.415 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.006 4.878 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.244 8.085 5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.198 6.382 6.359 1.00 0.00 H new ATOM 272 N GLU A 141 -9.528 3.950 -1.032 1.00 0.00 N ATOM 273 CA GLU A 141 -10.748 3.661 -1.778 1.00 0.00 C ATOM 274 C GLU A 141 -11.277 2.265 -1.459 1.00 0.00 C ATOM 275 O GLU A 141 -12.484 2.026 -1.494 1.00 0.00 O ATOM 276 CB GLU A 141 -10.493 3.790 -3.280 1.00 0.00 C ATOM 277 CG GLU A 141 -10.486 5.228 -3.775 1.00 0.00 C ATOM 278 CD GLU A 141 -9.861 5.368 -5.150 1.00 0.00 C ATOM 279 OE1 GLU A 141 -8.699 4.942 -5.321 1.00 0.00 O ATOM 280 OE2 GLU A 141 -10.533 5.905 -6.056 1.00 0.00 O ATOM 0 H GLU A 141 -8.667 3.801 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.503 4.388 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.535 3.328 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.259 3.233 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.509 5.603 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.939 5.850 -3.066 1.00 0.00 H new ATOM 287 N LYS A 142 -10.367 1.343 -1.155 1.00 0.00 N ATOM 288 CA LYS A 142 -10.747 -0.032 -0.839 1.00 0.00 C ATOM 289 C LYS A 142 -11.039 -0.201 0.650 1.00 0.00 C ATOM 290 O LYS A 142 -11.766 -1.113 1.047 1.00 0.00 O ATOM 291 CB LYS A 142 -9.638 -0.996 -1.263 1.00 0.00 C ATOM 292 CG LYS A 142 -9.141 -0.768 -2.681 1.00 0.00 C ATOM 293 CD LYS A 142 -9.859 -1.668 -3.677 1.00 0.00 C ATOM 294 CE LYS A 142 -10.446 -0.870 -4.829 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.842 -0.434 -4.548 1.00 0.00 N ATOM 0 H LYS A 142 -9.363 1.522 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.658 -0.262 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.800 -0.898 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -10.005 -2.019 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.293 0.275 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.068 -0.957 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.162 -2.410 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -10.654 -2.213 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.824 0.005 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.430 -1.475 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.206 0.107 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.442 -1.269 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.854 0.165 -3.698 1.00 0.00 H new ATOM 309 N GLY A 143 -10.466 0.673 1.469 1.00 0.00 N ATOM 310 CA GLY A 143 -10.674 0.592 2.905 1.00 0.00 C ATOM 311 C GLY A 143 -9.403 0.244 3.661 1.00 0.00 C ATOM 312 O GLY A 143 -9.386 0.247 4.892 1.00 0.00 O ATOM 0 H GLY A 143 -9.861 1.436 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.058 1.546 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.435 -0.159 3.116 1.00 0.00 H new ATOM 316 N VAL A 144 -8.336 -0.054 2.923 1.00 0.00 N ATOM 317 CA VAL A 144 -7.056 -0.402 3.526 1.00 0.00 C ATOM 318 C VAL A 144 -6.242 0.847 3.851 1.00 0.00 C ATOM 319 O VAL A 144 -6.285 1.836 3.122 1.00 0.00 O ATOM 320 CB VAL A 144 -6.226 -1.308 2.594 1.00 0.00 C ATOM 321 CG1 VAL A 144 -4.937 -1.744 3.278 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.040 -2.518 2.159 1.00 0.00 C ATOM 0 H VAL A 144 -8.335 -0.061 1.903 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.277 -0.940 4.448 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.963 -0.736 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.366 -2.382 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.345 -0.865 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.176 -2.297 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.437 -3.145 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.336 -3.092 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.930 -2.185 1.626 1.00 0.00 H new ATOM 332 N ASP A 145 -5.495 0.787 4.948 1.00 0.00 N ATOM 333 CA ASP A 145 -4.660 1.907 5.367 1.00 0.00 C ATOM 334 C ASP A 145 -3.184 1.554 5.221 1.00 0.00 C ATOM 335 O ASP A 145 -2.681 0.664 5.900 1.00 0.00 O ATOM 336 CB ASP A 145 -4.968 2.286 6.817 1.00 0.00 C ATOM 337 CG ASP A 145 -4.256 3.554 7.247 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.265 3.932 6.588 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.691 4.169 8.244 1.00 0.00 O ATOM 0 H ASP A 145 -5.451 -0.025 5.563 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.881 2.760 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.043 2.419 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.674 1.467 7.474 1.00 0.00 H new ATOM 344 N ILE A 146 -2.490 2.250 4.329 1.00 0.00 N ATOM 345 CA ILE A 146 -1.071 1.994 4.096 1.00 0.00 C ATOM 346 C ILE A 146 -0.286 1.888 5.409 1.00 0.00 C ATOM 347 O ILE A 146 0.774 1.264 5.458 1.00 0.00 O ATOM 348 CB ILE A 146 -0.447 3.087 3.195 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.617 2.474 2.284 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.141 4.224 4.023 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.120 2.193 0.882 1.00 0.00 C ATOM 0 H ILE A 146 -2.884 2.995 3.755 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.004 1.034 3.584 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.239 3.509 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.471 3.149 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 146 0.973 1.544 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.571 4.974 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.645 4.680 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.919 3.832 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.926 1.759 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.715 1.494 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.209 3.123 0.419 1.00 0.00 H new ATOM 363 N ARG A 147 -0.808 2.506 6.464 1.00 0.00 N ATOM 364 CA ARG A 147 -0.151 2.489 7.769 1.00 0.00 C ATOM 365 C ARG A 147 0.058 1.065 8.289 1.00 0.00 C ATOM 366 O ARG A 147 0.891 0.840 9.167 1.00 0.00 O ATOM 367 CB ARG A 147 -0.972 3.293 8.780 1.00 0.00 C ATOM 368 CG ARG A 147 -0.552 4.751 8.881 1.00 0.00 C ATOM 369 CD ARG A 147 -1.469 5.530 9.810 1.00 0.00 C ATOM 370 NE ARG A 147 -1.067 5.403 11.208 1.00 0.00 N ATOM 371 CZ ARG A 147 -0.066 6.088 11.758 1.00 0.00 C ATOM 372 NH1 ARG A 147 0.635 6.949 11.031 1.00 0.00 N ATOM 373 NH2 ARG A 147 0.234 5.911 13.037 1.00 0.00 N ATOM 0 H ARG A 147 -1.685 3.026 6.442 1.00 0.00 H new ATOM 0 HA ARG A 147 0.832 2.944 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.025 3.245 8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.881 2.828 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.474 4.811 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.565 5.204 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.464 6.582 9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.492 5.173 9.693 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.583 4.751 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.408 7.089 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.401 7.471 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.302 5.250 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.001 6.436 13.458 1.00 0.00 H new ATOM 387 N LEU A 148 -0.697 0.108 7.756 1.00 0.00 N ATOM 388 CA LEU A 148 -0.576 -1.285 8.191 1.00 0.00 C ATOM 389 C LEU A 148 0.023 -2.169 7.098 1.00 0.00 C ATOM 390 O LEU A 148 0.290 -3.349 7.327 1.00 0.00 O ATOM 391 CB LEU A 148 -1.938 -1.844 8.617 1.00 0.00 C ATOM 392 CG LEU A 148 -3.140 -1.269 7.874 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.219 -1.841 6.468 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.426 -1.550 8.632 1.00 0.00 C ATOM 0 H LEU A 148 -1.394 0.267 7.028 1.00 0.00 H new ATOM 0 HA LEU A 148 0.099 -1.294 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -1.928 -2.925 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.070 -1.662 9.684 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.013 -0.189 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.082 -1.420 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.311 -1.589 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.321 -2.925 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.270 -1.131 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.559 -2.627 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.373 -1.094 9.621 1.00 0.00 H new ATOM 406 N VAL A 149 0.229 -1.604 5.913 1.00 0.00 N ATOM 407 CA VAL A 149 0.792 -2.361 4.803 1.00 0.00 C ATOM 408 C VAL A 149 2.314 -2.252 4.772 1.00 0.00 C ATOM 409 O VAL A 149 2.867 -1.177 4.534 1.00 0.00 O ATOM 410 CB VAL A 149 0.222 -1.887 3.452 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.737 -2.761 2.319 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.300 -1.889 3.486 1.00 0.00 C ATOM 0 H VAL A 149 0.016 -0.630 5.698 1.00 0.00 H new ATOM 0 HA VAL A 149 0.513 -3.403 4.960 1.00 0.00 H new ATOM 0 HB VAL A 149 0.559 -0.866 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.324 -2.411 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.825 -2.706 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.432 -3.794 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.686 -1.552 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.658 -2.899 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.647 -1.218 4.272 1.00 0.00 H new ATOM 422 N GLN A 150 2.987 -3.375 5.010 1.00 0.00 N ATOM 423 CA GLN A 150 4.444 -3.408 5.005 1.00 0.00 C ATOM 424 C GLN A 150 4.976 -3.453 3.577 1.00 0.00 C ATOM 425 O GLN A 150 5.410 -4.501 3.096 1.00 0.00 O ATOM 426 CB GLN A 150 4.951 -4.619 5.792 1.00 0.00 C ATOM 427 CG GLN A 150 6.262 -4.364 6.520 1.00 0.00 C ATOM 428 CD GLN A 150 6.071 -3.584 7.807 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.694 -2.543 8.012 1.00 0.00 O ATOM 430 NE2 GLN A 150 5.208 -4.087 8.681 1.00 0.00 N ATOM 0 H GLN A 150 2.545 -4.273 5.208 1.00 0.00 H new ATOM 0 HA GLN A 150 4.808 -2.498 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.193 -4.914 6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 150 5.081 -5.458 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.740 -5.317 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.937 -3.815 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 150 4.714 -4.953 8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 150 5.039 -3.607 9.565 1.00 0.00 H new ATOM 439 N GLY A 151 4.934 -2.310 2.902 1.00 0.00 N ATOM 440 CA GLY A 151 5.409 -2.236 1.530 1.00 0.00 C ATOM 441 C GLY A 151 6.842 -2.706 1.378 1.00 0.00 C ATOM 442 O GLY A 151 7.682 -2.445 2.239 1.00 0.00 O ATOM 0 H GLY A 151 4.579 -1.431 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.764 -2.842 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.330 -1.208 1.178 1.00 0.00 H new ATOM 446 N THR A 152 7.121 -3.397 0.277 1.00 0.00 N ATOM 447 CA THR A 152 8.463 -3.902 0.009 1.00 0.00 C ATOM 448 C THR A 152 9.034 -3.289 -1.268 1.00 0.00 C ATOM 449 O THR A 152 9.886 -3.887 -1.926 1.00 0.00 O ATOM 450 CB THR A 152 8.442 -5.427 -0.110 1.00 0.00 C ATOM 451 OG1 THR A 152 7.208 -5.869 -0.646 1.00 0.00 O ATOM 452 CG2 THR A 152 8.648 -6.134 1.211 1.00 0.00 C ATOM 0 H THR A 152 6.435 -3.620 -0.444 1.00 0.00 H new ATOM 0 HA THR A 152 9.103 -3.617 0.844 1.00 0.00 H new ATOM 0 HB THR A 152 9.273 -5.677 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.213 -6.846 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 152 8.622 -7.212 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 152 9.615 -5.851 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 152 7.856 -5.849 1.904 1.00 0.00 H new ATOM 460 N GLY A 153 8.555 -2.099 -1.618 1.00 0.00 N ATOM 461 CA GLY A 153 9.027 -1.433 -2.819 1.00 0.00 C ATOM 462 C GLY A 153 10.365 -0.742 -2.624 1.00 0.00 C ATOM 463 O GLY A 153 10.461 0.243 -1.894 1.00 0.00 O ATOM 0 H GLY A 153 7.849 -1.584 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.115 -2.164 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.287 -0.698 -3.136 1.00 0.00 H new ATOM 467 N LYS A 154 11.394 -1.261 -3.288 1.00 0.00 N ATOM 468 CA LYS A 154 12.738 -0.693 -3.199 1.00 0.00 C ATOM 469 C LYS A 154 13.233 -0.656 -1.754 1.00 0.00 C ATOM 470 O LYS A 154 13.970 -1.541 -1.320 1.00 0.00 O ATOM 471 CB LYS A 154 12.762 0.713 -3.808 1.00 0.00 C ATOM 472 CG LYS A 154 13.601 0.812 -5.071 1.00 0.00 C ATOM 473 CD LYS A 154 13.102 -0.136 -6.151 1.00 0.00 C ATOM 474 CE LYS A 154 12.355 0.609 -7.245 1.00 0.00 C ATOM 475 NZ LYS A 154 12.690 0.089 -8.600 1.00 0.00 N ATOM 0 H LYS A 154 11.323 -2.077 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 154 13.412 -1.336 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 154 11.741 1.020 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.149 1.414 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 154 13.577 1.836 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.641 0.583 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 154 13.946 -0.671 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 154 12.446 -0.884 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 154 11.282 0.520 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 154 12.599 1.670 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 12.160 0.623 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 13.710 0.197 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 12.434 -0.917 -8.659 1.00 0.00 H new ATOM 489 N ASN A 155 12.832 0.374 -1.013 1.00 0.00 N ATOM 490 CA ASN A 155 13.245 0.520 0.378 1.00 0.00 C ATOM 491 C ASN A 155 12.100 0.195 1.334 1.00 0.00 C ATOM 492 O ASN A 155 12.151 0.540 2.515 1.00 0.00 O ATOM 493 CB ASN A 155 13.748 1.942 0.633 1.00 0.00 C ATOM 494 CG ASN A 155 14.737 2.403 -0.421 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.918 2.063 -0.373 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.256 3.184 -1.382 1.00 0.00 N ATOM 0 H ASN A 155 12.223 1.118 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 155 14.053 -0.188 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.900 2.626 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.220 1.987 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 155 14.874 3.526 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.269 3.442 -1.384 1.00 0.00 H new ATOM 503 N GLY A 156 11.068 -0.470 0.822 1.00 0.00 N ATOM 504 CA GLY A 156 9.932 -0.826 1.652 1.00 0.00 C ATOM 505 C GLY A 156 8.713 0.029 1.372 1.00 0.00 C ATOM 506 O GLY A 156 7.861 0.212 2.241 1.00 0.00 O ATOM 0 H GLY A 156 10.999 -0.768 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.681 -1.874 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.208 -0.725 2.702 1.00 0.00 H new ATOM 510 N ARG A 157 8.629 0.556 0.155 1.00 0.00 N ATOM 511 CA ARG A 157 7.504 1.397 -0.238 1.00 0.00 C ATOM 512 C ARG A 157 6.327 0.547 -0.704 1.00 0.00 C ATOM 513 O ARG A 157 6.470 -0.296 -1.590 1.00 0.00 O ATOM 514 CB ARG A 157 7.926 2.359 -1.350 1.00 0.00 C ATOM 515 CG ARG A 157 6.921 3.471 -1.606 1.00 0.00 C ATOM 516 CD ARG A 157 7.364 4.370 -2.750 1.00 0.00 C ATOM 517 NE ARG A 157 8.445 5.269 -2.352 1.00 0.00 N ATOM 518 CZ ARG A 157 8.260 6.389 -1.657 1.00 0.00 C ATOM 519 NH1 ARG A 157 7.039 6.755 -1.287 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.298 7.147 -1.334 1.00 0.00 N ATOM 0 H ARG A 157 9.326 0.416 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 157 7.190 1.973 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.887 2.802 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.073 1.795 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.948 3.037 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.797 4.066 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.693 3.755 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.515 4.957 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 157 9.397 5.024 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 157 6.236 6.177 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 157 6.904 7.614 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.238 6.872 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.157 8.005 -0.801 1.00 0.00 H new ATOM 534 N VAL A 158 5.163 0.772 -0.102 1.00 0.00 N ATOM 535 CA VAL A 158 3.964 0.024 -0.457 1.00 0.00 C ATOM 536 C VAL A 158 3.494 0.375 -1.865 1.00 0.00 C ATOM 537 O VAL A 158 3.256 1.541 -2.178 1.00 0.00 O ATOM 538 CB VAL A 158 2.815 0.294 0.534 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.653 -0.651 0.271 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.298 0.163 1.971 1.00 0.00 C ATOM 0 H VAL A 158 5.026 1.466 0.633 1.00 0.00 H new ATOM 0 HA VAL A 158 4.229 -1.032 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 158 2.469 1.317 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.850 -0.447 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.287 -0.503 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.988 -1.681 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.470 0.358 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.675 -0.846 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.096 0.883 2.154 1.00 0.00 H new ATOM 550 N LEU A 159 3.365 -0.642 -2.709 1.00 0.00 N ATOM 551 CA LEU A 159 2.925 -0.445 -4.085 1.00 0.00 C ATOM 552 C LEU A 159 1.563 -1.094 -4.315 1.00 0.00 C ATOM 553 O LEU A 159 1.078 -1.852 -3.475 1.00 0.00 O ATOM 554 CB LEU A 159 3.948 -1.029 -5.063 1.00 0.00 C ATOM 555 CG LEU A 159 5.410 -0.916 -4.626 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.258 -1.966 -5.328 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.945 0.480 -4.910 1.00 0.00 C ATOM 0 H LEU A 159 3.559 -1.613 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 159 2.837 0.627 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.714 -2.082 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.834 -0.528 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 159 5.464 -1.092 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.295 -1.871 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.889 -2.960 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.199 -1.820 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.986 0.542 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.878 0.685 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.354 1.214 -4.362 1.00 0.00 H new ATOM 569 N LYS A 160 0.951 -0.795 -5.459 1.00 0.00 N ATOM 570 CA LYS A 160 -0.354 -1.357 -5.797 1.00 0.00 C ATOM 571 C LYS A 160 -0.346 -2.873 -5.633 1.00 0.00 C ATOM 572 O LYS A 160 -1.365 -3.478 -5.296 1.00 0.00 O ATOM 573 CB LYS A 160 -0.741 -0.989 -7.231 1.00 0.00 C ATOM 574 CG LYS A 160 -2.096 -1.532 -7.653 1.00 0.00 C ATOM 575 CD LYS A 160 -2.707 -0.705 -8.773 1.00 0.00 C ATOM 576 CE LYS A 160 -2.526 -1.377 -10.125 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.863 -0.462 -11.251 1.00 0.00 N ATOM 0 H LYS A 160 1.337 -0.169 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.092 -0.936 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.747 0.096 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.021 -1.367 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.988 -2.566 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.769 -1.538 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.769 -0.556 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.245 0.282 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.494 -1.714 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.158 -2.264 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.726 -0.958 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.855 -0.160 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.243 0.373 -11.217 1.00 0.00 H new ATOM 591 N GLU A 161 0.813 -3.478 -5.867 1.00 0.00 N ATOM 592 CA GLU A 161 0.960 -4.921 -5.738 1.00 0.00 C ATOM 593 C GLU A 161 0.887 -5.335 -4.273 1.00 0.00 C ATOM 594 O GLU A 161 0.277 -6.349 -3.931 1.00 0.00 O ATOM 595 CB GLU A 161 2.289 -5.377 -6.346 1.00 0.00 C ATOM 596 CG GLU A 161 2.365 -6.874 -6.593 1.00 0.00 C ATOM 597 CD GLU A 161 3.311 -7.231 -7.723 1.00 0.00 C ATOM 598 OE1 GLU A 161 2.860 -7.260 -8.888 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.502 -7.479 -7.444 1.00 0.00 O ATOM 0 H GLU A 161 1.664 -2.991 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 161 0.143 -5.400 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.446 -4.854 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.102 -5.086 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.690 -7.373 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.369 -7.251 -6.825 1.00 0.00 H new ATOM 606 N ASP A 162 1.508 -4.537 -3.409 1.00 0.00 N ATOM 607 CA ASP A 162 1.508 -4.815 -1.979 1.00 0.00 C ATOM 608 C ASP A 162 0.089 -4.776 -1.430 1.00 0.00 C ATOM 609 O ASP A 162 -0.321 -5.662 -0.680 1.00 0.00 O ATOM 610 CB ASP A 162 2.386 -3.806 -1.238 1.00 0.00 C ATOM 611 CG ASP A 162 3.863 -4.023 -1.500 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.247 -5.165 -1.825 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.637 -3.048 -1.381 1.00 0.00 O ATOM 0 H ASP A 162 2.017 -3.694 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 162 1.916 -5.814 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.110 -2.796 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.195 -3.880 -0.167 1.00 0.00 H new ATOM 618 N ILE A 163 -0.662 -3.751 -1.816 1.00 0.00 N ATOM 619 CA ILE A 163 -2.040 -3.612 -1.368 1.00 0.00 C ATOM 620 C ILE A 163 -2.867 -4.806 -1.827 1.00 0.00 C ATOM 621 O ILE A 163 -3.520 -5.468 -1.021 1.00 0.00 O ATOM 622 CB ILE A 163 -2.684 -2.314 -1.897 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.816 -1.106 -1.545 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.084 -2.149 -1.325 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.666 -0.886 -0.056 1.00 0.00 C ATOM 0 H ILE A 163 -0.340 -3.007 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.024 -3.569 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.758 -2.379 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.828 -1.237 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.250 -0.213 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.527 -1.229 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.700 -2.998 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.029 -2.102 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.038 -0.013 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.648 -0.723 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.204 -1.763 0.397 1.00 0.00 H new ATOM 637 N ASP A 164 -2.822 -5.085 -3.126 1.00 0.00 N ATOM 638 CA ASP A 164 -3.557 -6.211 -3.692 1.00 0.00 C ATOM 639 C ASP A 164 -3.218 -7.495 -2.944 1.00 0.00 C ATOM 640 O ASP A 164 -4.070 -8.365 -2.761 1.00 0.00 O ATOM 641 CB ASP A 164 -3.232 -6.367 -5.179 1.00 0.00 C ATOM 642 CG ASP A 164 -4.147 -7.360 -5.869 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.192 -8.529 -5.432 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.818 -6.967 -6.847 1.00 0.00 O ATOM 0 H ASP A 164 -2.285 -4.547 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.624 -6.015 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -3.316 -5.398 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.198 -6.692 -5.290 1.00 0.00 H new ATOM 649 N ALA A 165 -1.969 -7.596 -2.502 1.00 0.00 N ATOM 650 CA ALA A 165 -1.516 -8.763 -1.758 1.00 0.00 C ATOM 651 C ALA A 165 -2.059 -8.726 -0.336 1.00 0.00 C ATOM 652 O ALA A 165 -2.324 -9.766 0.269 1.00 0.00 O ATOM 653 CB ALA A 165 0.004 -8.828 -1.747 1.00 0.00 C ATOM 0 H ALA A 165 -1.254 -6.884 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.895 -9.659 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.327 -9.706 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.373 -8.895 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.403 -7.930 -1.276 1.00 0.00 H new ATOM 659 N PHE A 166 -2.232 -7.516 0.187 1.00 0.00 N ATOM 660 CA PHE A 166 -2.753 -7.329 1.532 1.00 0.00 C ATOM 661 C PHE A 166 -4.178 -7.861 1.633 1.00 0.00 C ATOM 662 O PHE A 166 -4.530 -8.542 2.596 1.00 0.00 O ATOM 663 CB PHE A 166 -2.723 -5.846 1.905 1.00 0.00 C ATOM 664 CG PHE A 166 -3.257 -5.562 3.277 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.620 -5.564 3.515 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.394 -5.298 4.327 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.116 -5.308 4.779 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.882 -5.039 5.593 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.246 -5.044 5.820 1.00 0.00 C ATOM 0 H PHE A 166 -2.017 -6.649 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.124 -7.885 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.697 -5.485 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.305 -5.284 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.304 -5.768 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.328 -5.295 4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.182 -5.314 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.199 -4.833 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.631 -4.842 6.809 1.00 0.00 H new ATOM 679 N LEU A 167 -4.992 -7.541 0.633 1.00 0.00 N ATOM 680 CA LEU A 167 -6.377 -7.981 0.601 1.00 0.00 C ATOM 681 C LEU A 167 -6.479 -9.430 0.135 1.00 0.00 C ATOM 682 O LEU A 167 -7.392 -10.156 0.529 1.00 0.00 O ATOM 683 CB LEU A 167 -7.187 -7.076 -0.326 1.00 0.00 C ATOM 684 CG LEU A 167 -7.356 -5.633 0.154 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.880 -5.595 1.583 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.040 -4.878 0.039 1.00 0.00 C ATOM 0 H LEU A 167 -4.712 -6.976 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.781 -7.919 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.707 -7.062 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.176 -7.514 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.090 -5.142 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -7.992 -4.559 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.847 -6.095 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.176 -6.104 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.177 -3.853 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.284 -5.369 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.715 -4.870 -1.001 1.00 0.00 H new ATOM 698 N ALA A 168 -5.537 -9.844 -0.707 1.00 0.00 N ATOM 699 CA ALA A 168 -5.522 -11.206 -1.228 1.00 0.00 C ATOM 700 C ALA A 168 -4.620 -12.110 -0.392 1.00 0.00 C ATOM 701 O ALA A 168 -4.024 -13.056 -0.909 1.00 0.00 O ATOM 702 CB ALA A 168 -5.073 -11.209 -2.681 1.00 0.00 C ATOM 0 H ALA A 168 -4.774 -9.256 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.537 -11.600 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.066 -12.232 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.761 -10.608 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.070 -10.789 -2.753 1.00 0.00 H new ATOM 708 N GLY A 169 -4.523 -11.814 0.901 1.00 0.00 N ATOM 709 CA GLY A 169 -3.691 -12.611 1.782 1.00 0.00 C ATOM 710 C GLY A 169 -4.086 -12.468 3.239 1.00 0.00 C ATOM 711 O GLY A 169 -4.267 -13.463 3.940 1.00 0.00 O ATOM 0 H GLY A 169 -5.005 -11.037 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.759 -13.659 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.649 -12.314 1.660 1.00 0.00 H new ATOM 715 N GLY A 170 -4.219 -11.227 3.695 1.00 0.00 N ATOM 716 CA GLY A 170 -4.593 -10.981 5.075 1.00 0.00 C ATOM 717 C GLY A 170 -3.394 -10.923 6.000 1.00 0.00 C ATOM 718 O GLY A 170 -3.365 -10.035 6.879 1.00 0.00 O ATOM 719 OXT GLY A 170 -2.483 -11.763 5.846 1.00 0.00 O ATOM 0 H GLY A 170 -4.075 -10.388 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -5.142 -10.041 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -5.269 -11.768 5.411 1.00 0.00 H new TER 723 GLY A 170