USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -56:sc= 0.226 USER MOD Single : A 81 SER OG : rot 77:sc= 0.0236 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0321 F(o=-0.77,f=-0.032) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -1.77! USER MOD Single : A 107 HIS : no HD1:sc= -6.02! C(o=-6!,f=-6.8!) USER MOD Single : A 109 MET CE :methyl -177:sc= -0.697 (180deg=-0.83) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -2.87! USER MOD Single : A 124 MET CE :methyl 175:sc= -0.21 (180deg=-0.245) USER MOD Single : A 135 GLN : amide:sc= -0.156 K(o=-0.16,f=-6.5!) USER MOD Single : A 137 ASN : amide:sc= -6.46! C(o=-6.5!,f=-13!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : A 144 MET CE :methyl 136:sc= -3.43 (180deg=-8.37!) USER MOD Single : A 145 MET CE :methyl -117:sc= -3.05 (180deg=-7.46!) USER MOD Single : A 146 THR OG1 : rot -160:sc=-0.000445 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -20.150 -15.927 -4.022 1.00 0.00 N ATOM 2 CA MET A 76 -19.142 -15.268 -4.899 1.00 0.00 C ATOM 3 C MET A 76 -18.198 -14.419 -4.044 1.00 0.00 C ATOM 4 O MET A 76 -18.121 -13.216 -4.196 1.00 0.00 O ATOM 5 CB MET A 76 -19.855 -14.372 -5.913 1.00 0.00 C ATOM 6 CG MET A 76 -19.513 -14.831 -7.332 1.00 0.00 C ATOM 7 SD MET A 76 -19.679 -13.436 -8.475 1.00 0.00 S ATOM 8 CE MET A 76 -20.583 -14.312 -9.774 1.00 0.00 C ATOM 0 HA MET A 76 -18.568 -16.029 -5.427 1.00 0.00 H new ATOM 0 HB2 MET A 76 -20.933 -14.414 -5.756 1.00 0.00 H new ATOM 0 HB3 MET A 76 -19.553 -13.334 -5.773 1.00 0.00 H new ATOM 0 HG2 MET A 76 -18.496 -15.222 -7.364 1.00 0.00 H new ATOM 0 HG3 MET A 76 -20.176 -15.642 -7.633 1.00 0.00 H new ATOM 0 HE1 MET A 76 -20.795 -13.627 -10.595 1.00 0.00 H new ATOM 0 HE2 MET A 76 -19.980 -15.143 -10.140 1.00 0.00 H new ATOM 0 HE3 MET A 76 -21.520 -14.695 -9.370 1.00 0.00 H new ATOM 20 N LYS A 77 -17.479 -15.035 -3.146 1.00 0.00 N ATOM 21 CA LYS A 77 -16.541 -14.262 -2.282 1.00 0.00 C ATOM 22 C LYS A 77 -15.118 -14.789 -2.480 1.00 0.00 C ATOM 23 O LYS A 77 -14.498 -15.293 -1.564 1.00 0.00 O ATOM 24 CB LYS A 77 -16.948 -14.420 -0.815 1.00 0.00 C ATOM 25 CG LYS A 77 -16.693 -15.860 -0.363 1.00 0.00 C ATOM 26 CD LYS A 77 -17.833 -16.322 0.546 1.00 0.00 C ATOM 27 CE LYS A 77 -17.404 -17.582 1.301 1.00 0.00 C ATOM 28 NZ LYS A 77 -17.942 -17.536 2.690 1.00 0.00 N ATOM 0 H LYS A 77 -17.500 -16.040 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.579 -13.207 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.381 -13.727 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.002 -14.170 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.617 -16.516 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.743 -15.922 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.092 -15.533 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.725 -16.526 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.771 -18.470 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.317 -17.653 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.651 -18.392 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.571 -16.696 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.980 -17.488 2.659 1.00 0.00 H new ATOM 42 N ASP A 78 -14.598 -14.676 -3.670 1.00 0.00 N ATOM 43 CA ASP A 78 -13.217 -15.168 -3.931 1.00 0.00 C ATOM 44 C ASP A 78 -12.207 -14.101 -3.502 1.00 0.00 C ATOM 45 O ASP A 78 -11.023 -14.355 -3.400 1.00 0.00 O ATOM 46 CB ASP A 78 -13.056 -15.459 -5.424 1.00 0.00 C ATOM 47 CG ASP A 78 -14.304 -16.181 -5.940 1.00 0.00 C ATOM 48 OD1 ASP A 78 -14.720 -17.133 -5.300 1.00 0.00 O ATOM 49 OD2 ASP A 78 -14.821 -15.770 -6.965 1.00 0.00 O ATOM 0 H ASP A 78 -15.071 -14.264 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.040 -16.081 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.908 -14.529 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.171 -16.073 -5.593 1.00 0.00 H new ATOM 54 N THR A 79 -12.669 -12.907 -3.249 1.00 0.00 N ATOM 55 CA THR A 79 -11.743 -11.819 -2.824 1.00 0.00 C ATOM 56 C THR A 79 -12.561 -10.635 -2.318 1.00 0.00 C ATOM 57 O THR A 79 -12.350 -9.506 -2.717 1.00 0.00 O ATOM 58 CB THR A 79 -10.892 -11.377 -4.015 1.00 0.00 C ATOM 59 OG1 THR A 79 -9.868 -10.501 -3.562 1.00 0.00 O ATOM 60 CG2 THR A 79 -11.777 -10.651 -5.026 1.00 0.00 C ATOM 0 H THR A 79 -13.650 -12.637 -3.318 1.00 0.00 H new ATOM 0 HA THR A 79 -11.091 -12.183 -2.030 1.00 0.00 H new ATOM 0 HB THR A 79 -10.440 -12.249 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.271 -9.750 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.173 -10.334 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.564 -11.323 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.226 -9.777 -4.555 1.00 0.00 H new ATOM 68 N ASP A 80 -13.500 -10.885 -1.445 1.00 0.00 N ATOM 69 CA ASP A 80 -14.341 -9.778 -0.914 1.00 0.00 C ATOM 70 C ASP A 80 -13.465 -8.563 -0.620 1.00 0.00 C ATOM 71 O ASP A 80 -12.692 -8.548 0.317 1.00 0.00 O ATOM 72 CB ASP A 80 -15.030 -10.224 0.373 1.00 0.00 C ATOM 73 CG ASP A 80 -14.121 -11.186 1.139 1.00 0.00 C ATOM 74 OD1 ASP A 80 -14.215 -12.379 0.897 1.00 0.00 O ATOM 75 OD2 ASP A 80 -13.347 -10.714 1.955 1.00 0.00 O ATOM 0 H ASP A 80 -13.720 -11.811 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.094 -9.515 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.262 -9.357 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.977 -10.711 0.140 1.00 0.00 H new ATOM 80 N SER A 81 -13.582 -7.544 -1.421 1.00 0.00 N ATOM 81 CA SER A 81 -12.760 -6.321 -1.202 1.00 0.00 C ATOM 82 C SER A 81 -13.639 -5.078 -1.343 1.00 0.00 C ATOM 83 O SER A 81 -13.205 -4.050 -1.821 1.00 0.00 O ATOM 84 CB SER A 81 -11.644 -6.269 -2.242 1.00 0.00 C ATOM 85 OG SER A 81 -10.553 -7.066 -1.799 1.00 0.00 O ATOM 0 H SER A 81 -14.213 -7.504 -2.221 1.00 0.00 H new ATOM 0 HA SER A 81 -12.330 -6.349 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.009 -6.633 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.320 -5.239 -2.393 1.00 0.00 H new ATOM 0 HG SER A 81 -10.762 -8.013 -1.937 1.00 0.00 H new ATOM 91 N GLU A 82 -14.870 -5.161 -0.923 1.00 0.00 N ATOM 92 CA GLU A 82 -15.768 -3.978 -1.027 1.00 0.00 C ATOM 93 C GLU A 82 -15.135 -2.812 -0.276 1.00 0.00 C ATOM 94 O GLU A 82 -14.395 -2.024 -0.831 1.00 0.00 O ATOM 95 CB GLU A 82 -17.128 -4.310 -0.406 1.00 0.00 C ATOM 96 CG GLU A 82 -17.916 -5.220 -1.351 1.00 0.00 C ATOM 97 CD GLU A 82 -18.717 -4.365 -2.336 1.00 0.00 C ATOM 98 OE1 GLU A 82 -18.553 -3.158 -2.311 1.00 0.00 O ATOM 99 OE2 GLU A 82 -19.481 -4.935 -3.099 1.00 0.00 O ATOM 0 H GLU A 82 -15.292 -5.994 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.909 -3.711 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.989 -4.802 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.687 -3.393 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.235 -5.876 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.588 -5.861 -0.780 1.00 0.00 H new ATOM 106 N GLU A 83 -15.417 -2.709 0.985 1.00 0.00 N ATOM 107 CA GLU A 83 -14.835 -1.609 1.795 1.00 0.00 C ATOM 108 C GLU A 83 -13.495 -2.065 2.379 1.00 0.00 C ATOM 109 O GLU A 83 -12.786 -1.301 3.004 1.00 0.00 O ATOM 110 CB GLU A 83 -15.791 -1.247 2.934 1.00 0.00 C ATOM 111 CG GLU A 83 -15.392 0.109 3.521 1.00 0.00 C ATOM 112 CD GLU A 83 -16.400 0.513 4.598 1.00 0.00 C ATOM 113 OE1 GLU A 83 -17.562 0.673 4.263 1.00 0.00 O ATOM 114 OE2 GLU A 83 -15.993 0.657 5.739 1.00 0.00 O ATOM 0 H GLU A 83 -16.031 -3.344 1.496 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.681 -0.735 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.816 -1.209 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.759 -2.014 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.391 0.052 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.361 0.863 2.735 1.00 0.00 H new ATOM 121 N GLU A 84 -13.143 -3.307 2.182 1.00 0.00 N ATOM 122 CA GLU A 84 -11.853 -3.813 2.727 1.00 0.00 C ATOM 123 C GLU A 84 -10.691 -3.029 2.113 1.00 0.00 C ATOM 124 O GLU A 84 -9.570 -3.099 2.576 1.00 0.00 O ATOM 125 CB GLU A 84 -11.704 -5.295 2.381 1.00 0.00 C ATOM 126 CG GLU A 84 -12.077 -6.147 3.598 1.00 0.00 C ATOM 127 CD GLU A 84 -12.723 -7.452 3.128 1.00 0.00 C ATOM 128 OE1 GLU A 84 -13.541 -7.393 2.226 1.00 0.00 O ATOM 129 OE2 GLU A 84 -12.387 -8.487 3.679 1.00 0.00 O ATOM 0 H GLU A 84 -13.695 -3.993 1.666 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.843 -3.685 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.346 -5.548 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.679 -5.506 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.188 -6.362 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.765 -5.599 4.242 1.00 0.00 H new ATOM 136 N ILE A 85 -10.946 -2.283 1.073 1.00 0.00 N ATOM 137 CA ILE A 85 -9.855 -1.499 0.436 1.00 0.00 C ATOM 138 C ILE A 85 -9.724 -0.152 1.145 1.00 0.00 C ATOM 139 O ILE A 85 -8.649 0.254 1.531 1.00 0.00 O ATOM 140 CB ILE A 85 -10.178 -1.272 -1.040 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.649 -2.586 -1.663 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.926 -0.779 -1.771 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.546 -2.289 -2.865 1.00 0.00 C ATOM 0 H ILE A 85 -11.863 -2.184 0.638 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.917 -2.048 0.516 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.965 -0.523 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.791 -3.181 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.194 -3.175 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.159 -0.618 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.590 0.158 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.136 -1.525 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.882 -3.226 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.411 -1.711 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.986 -1.717 -3.605 1.00 0.00 H new ATOM 155 N ARG A 86 -10.810 0.542 1.326 1.00 0.00 N ATOM 156 CA ARG A 86 -10.744 1.856 2.019 1.00 0.00 C ATOM 157 C ARG A 86 -9.923 1.710 3.298 1.00 0.00 C ATOM 158 O ARG A 86 -9.291 2.642 3.753 1.00 0.00 O ATOM 159 CB ARG A 86 -12.162 2.304 2.374 1.00 0.00 C ATOM 160 CG ARG A 86 -12.286 3.814 2.178 1.00 0.00 C ATOM 161 CD ARG A 86 -13.146 4.402 3.298 1.00 0.00 C ATOM 162 NE ARG A 86 -12.276 4.785 4.444 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.810 5.081 5.597 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.002 5.611 5.646 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.155 4.847 6.700 1.00 0.00 N ATOM 0 H ARG A 86 -11.741 0.256 1.024 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.276 2.595 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.886 1.785 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.389 2.041 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.298 4.275 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.734 4.031 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.690 5.273 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.890 3.673 3.620 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.263 4.816 4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.515 5.793 4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.420 5.843 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.224 4.432 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.574 5.079 7.601 1.00 0.00 H new ATOM 179 N GLU A 87 -9.930 0.547 3.882 1.00 0.00 N ATOM 180 CA GLU A 87 -9.152 0.342 5.135 1.00 0.00 C ATOM 181 C GLU A 87 -7.766 -0.207 4.803 1.00 0.00 C ATOM 182 O GLU A 87 -6.767 0.340 5.214 1.00 0.00 O ATOM 183 CB GLU A 87 -9.889 -0.643 6.044 1.00 0.00 C ATOM 184 CG GLU A 87 -11.315 -0.147 6.286 1.00 0.00 C ATOM 185 CD GLU A 87 -11.983 -1.014 7.354 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.267 -1.573 8.168 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.200 -1.106 7.339 1.00 0.00 O ATOM 0 H GLU A 87 -10.440 -0.271 3.547 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.045 1.298 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.910 -1.632 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.362 -0.743 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.299 0.895 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.888 -0.187 5.359 1.00 0.00 H new ATOM 194 N ALA A 88 -7.689 -1.278 4.060 1.00 0.00 N ATOM 195 CA ALA A 88 -6.353 -1.837 3.715 1.00 0.00 C ATOM 196 C ALA A 88 -5.435 -0.697 3.276 1.00 0.00 C ATOM 197 O ALA A 88 -4.227 -0.781 3.385 1.00 0.00 O ATOM 198 CB ALA A 88 -6.498 -2.851 2.577 1.00 0.00 C ATOM 0 H ALA A 88 -8.488 -1.786 3.680 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.927 -2.337 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.519 -3.259 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.158 -3.659 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.921 -2.358 1.702 1.00 0.00 H new ATOM 204 N PHE A 89 -6.001 0.370 2.785 1.00 0.00 N ATOM 205 CA PHE A 89 -5.175 1.516 2.346 1.00 0.00 C ATOM 206 C PHE A 89 -4.473 2.131 3.550 1.00 0.00 C ATOM 207 O PHE A 89 -3.266 2.254 3.586 1.00 0.00 O ATOM 208 CB PHE A 89 -6.059 2.577 1.697 1.00 0.00 C ATOM 209 CG PHE A 89 -5.192 3.758 1.353 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.325 3.676 0.263 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.238 4.922 2.129 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.503 4.755 -0.065 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.413 6.007 1.804 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.546 5.923 0.705 1.00 0.00 C ATOM 0 H PHE A 89 -7.007 0.493 2.670 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.438 1.163 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.535 2.180 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.857 2.875 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.290 2.774 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.907 4.984 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.835 4.689 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.445 6.907 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.911 6.760 0.453 1.00 0.00 H new ATOM 224 N ARG A 90 -5.228 2.522 4.532 1.00 0.00 N ATOM 225 CA ARG A 90 -4.625 3.136 5.742 1.00 0.00 C ATOM 226 C ARG A 90 -3.705 2.119 6.419 1.00 0.00 C ATOM 227 O ARG A 90 -2.699 2.469 7.002 1.00 0.00 O ATOM 228 CB ARG A 90 -5.746 3.539 6.694 1.00 0.00 C ATOM 229 CG ARG A 90 -5.748 5.055 6.870 1.00 0.00 C ATOM 230 CD ARG A 90 -7.099 5.497 7.437 1.00 0.00 C ATOM 231 NE ARG A 90 -7.515 4.557 8.516 1.00 0.00 N ATOM 232 CZ ARG A 90 -8.624 4.764 9.172 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.694 5.157 8.536 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.664 4.573 10.463 1.00 0.00 N ATOM 0 H ARG A 90 -6.245 2.442 4.549 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.042 4.016 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.707 3.207 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.610 3.051 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.943 5.356 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.565 5.544 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.026 6.511 7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.849 5.515 6.646 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.932 3.751 8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.663 5.302 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.561 5.319 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.829 4.262 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.531 4.735 10.976 1.00 0.00 H new ATOM 248 N VAL A 91 -4.035 0.859 6.334 1.00 0.00 N ATOM 249 CA VAL A 91 -3.173 -0.178 6.957 1.00 0.00 C ATOM 250 C VAL A 91 -1.725 0.102 6.561 1.00 0.00 C ATOM 251 O VAL A 91 -0.800 -0.159 7.305 1.00 0.00 O ATOM 252 CB VAL A 91 -3.606 -1.552 6.447 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.530 -2.588 6.766 1.00 0.00 C ATOM 254 CG2 VAL A 91 -4.915 -1.955 7.129 1.00 0.00 C ATOM 0 H VAL A 91 -4.866 0.505 5.859 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.264 -0.159 8.043 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.750 -1.505 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.845 -3.565 6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.596 -2.303 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.380 -2.636 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.227 -2.935 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.765 -1.997 8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.687 -1.221 6.898 1.00 0.00 H new ATOM 264 N PHE A 92 -1.529 0.656 5.397 1.00 0.00 N ATOM 265 CA PHE A 92 -0.151 0.987 4.942 1.00 0.00 C ATOM 266 C PHE A 92 0.115 2.460 5.247 1.00 0.00 C ATOM 267 O PHE A 92 1.220 2.856 5.561 1.00 0.00 O ATOM 268 CB PHE A 92 -0.039 0.750 3.434 1.00 0.00 C ATOM 269 CG PHE A 92 0.043 -0.733 3.160 1.00 0.00 C ATOM 270 CD1 PHE A 92 1.282 -1.386 3.196 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.120 -1.457 2.867 1.00 0.00 C ATOM 272 CE1 PHE A 92 1.358 -2.760 2.941 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.044 -2.833 2.613 1.00 0.00 C ATOM 274 CZ PHE A 92 0.195 -3.484 2.650 1.00 0.00 C ATOM 0 H PHE A 92 -2.270 0.895 4.738 1.00 0.00 H new ATOM 0 HA PHE A 92 0.576 0.358 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.902 1.177 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.845 1.252 3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.179 -0.829 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.075 -0.954 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.314 -3.262 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.941 -3.391 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.254 -4.544 2.454 1.00 0.00 H new ATOM 284 N ASP A 93 -0.903 3.272 5.159 1.00 0.00 N ATOM 285 CA ASP A 93 -0.745 4.722 5.442 1.00 0.00 C ATOM 286 C ASP A 93 -1.065 4.981 6.917 1.00 0.00 C ATOM 287 O ASP A 93 -2.204 4.913 7.335 1.00 0.00 O ATOM 288 CB ASP A 93 -1.719 5.501 4.560 1.00 0.00 C ATOM 289 CG ASP A 93 -1.318 6.976 4.529 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.129 7.247 4.591 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.203 7.810 4.445 1.00 0.00 O ATOM 0 H ASP A 93 -1.847 2.986 4.900 1.00 0.00 H new ATOM 0 HA ASP A 93 0.276 5.040 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.717 5.092 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.734 5.398 4.943 1.00 0.00 H new ATOM 296 N LYS A 94 -0.071 5.269 7.712 1.00 0.00 N ATOM 297 CA LYS A 94 -0.324 5.522 9.158 1.00 0.00 C ATOM 298 C LYS A 94 -0.833 6.942 9.360 1.00 0.00 C ATOM 299 O LYS A 94 -1.544 7.230 10.302 1.00 0.00 O ATOM 300 CB LYS A 94 0.966 5.330 9.947 1.00 0.00 C ATOM 301 CG LYS A 94 1.169 3.845 10.252 1.00 0.00 C ATOM 302 CD LYS A 94 1.082 3.618 11.763 1.00 0.00 C ATOM 303 CE LYS A 94 2.223 4.362 12.463 1.00 0.00 C ATOM 304 NZ LYS A 94 2.788 3.502 13.540 1.00 0.00 N ATOM 0 H LYS A 94 0.905 5.340 7.423 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.077 4.818 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.812 5.713 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.924 5.899 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.412 3.251 9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.139 3.515 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.121 3.970 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.140 2.552 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.000 4.619 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.857 5.298 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.563 4.006 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.044 3.278 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.152 2.620 13.125 1.00 0.00 H new ATOM 318 N ASP A 95 -0.488 7.830 8.480 1.00 0.00 N ATOM 319 CA ASP A 95 -0.969 9.228 8.623 1.00 0.00 C ATOM 320 C ASP A 95 -2.414 9.309 8.127 1.00 0.00 C ATOM 321 O ASP A 95 -3.010 10.368 8.112 1.00 0.00 O ATOM 322 CB ASP A 95 -0.087 10.162 7.792 1.00 0.00 C ATOM 323 CG ASP A 95 1.133 10.579 8.616 1.00 0.00 C ATOM 324 OD1 ASP A 95 1.187 10.221 9.782 1.00 0.00 O ATOM 325 OD2 ASP A 95 1.992 11.250 8.069 1.00 0.00 O ATOM 0 H ASP A 95 0.104 7.652 7.669 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.921 9.530 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.232 9.661 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.654 11.043 7.491 1.00 0.00 H new ATOM 330 N GLY A 96 -2.983 8.190 7.732 1.00 0.00 N ATOM 331 CA GLY A 96 -4.396 8.182 7.241 1.00 0.00 C ATOM 332 C GLY A 96 -4.704 9.481 6.490 1.00 0.00 C ATOM 333 O GLY A 96 -5.803 9.995 6.548 1.00 0.00 O ATOM 0 H GLY A 96 -2.524 7.279 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.555 7.327 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.080 8.069 8.082 1.00 0.00 H new ATOM 337 N ASN A 97 -3.742 10.021 5.793 1.00 0.00 N ATOM 338 CA ASN A 97 -3.981 11.291 5.052 1.00 0.00 C ATOM 339 C ASN A 97 -4.543 10.983 3.660 1.00 0.00 C ATOM 340 O ASN A 97 -5.621 11.417 3.308 1.00 0.00 O ATOM 341 CB ASN A 97 -2.661 12.053 4.919 1.00 0.00 C ATOM 342 CG ASN A 97 -2.819 13.177 3.897 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.581 12.934 2.639 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -3.166 14.288 4.245 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.801 9.637 5.705 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.701 11.900 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.368 12.465 5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.867 11.374 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.353 14.479 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.271 15.030 3.553 1.00 0.00 H new ATOM 351 N GLY A 98 -3.822 10.242 2.862 1.00 0.00 N ATOM 352 CA GLY A 98 -4.324 9.919 1.494 1.00 0.00 C ATOM 353 C GLY A 98 -3.189 9.343 0.645 1.00 0.00 C ATOM 354 O GLY A 98 -3.420 8.629 -0.311 1.00 0.00 O ATOM 0 H GLY A 98 -2.911 9.848 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.142 9.202 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.723 10.817 1.022 1.00 0.00 H new ATOM 358 N TYR A 99 -1.966 9.650 0.981 1.00 0.00 N ATOM 359 CA TYR A 99 -0.822 9.122 0.195 1.00 0.00 C ATOM 360 C TYR A 99 0.115 8.331 1.111 1.00 0.00 C ATOM 361 O TYR A 99 0.379 8.717 2.233 1.00 0.00 O ATOM 362 CB TYR A 99 -0.054 10.279 -0.426 1.00 0.00 C ATOM 363 CG TYR A 99 -0.647 10.612 -1.774 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.711 11.512 -1.873 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.115 10.032 -2.928 1.00 0.00 C ATOM 366 CE1 TYR A 99 -2.245 11.829 -3.126 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.641 10.352 -4.184 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.708 11.252 -4.284 1.00 0.00 C ATOM 369 OH TYR A 99 -2.231 11.572 -5.520 1.00 0.00 O ATOM 0 H TYR A 99 -1.712 10.246 1.769 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.200 8.468 -0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.097 11.150 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.998 10.014 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.121 11.963 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.705 9.334 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.072 12.519 -3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.225 9.905 -5.075 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.743 11.086 -6.217 1.00 0.00 H new ATOM 379 N ILE A 100 0.623 7.231 0.634 1.00 0.00 N ATOM 380 CA ILE A 100 1.548 6.405 1.450 1.00 0.00 C ATOM 381 C ILE A 100 2.984 6.693 1.010 1.00 0.00 C ATOM 382 O ILE A 100 3.259 6.874 -0.160 1.00 0.00 O ATOM 383 CB ILE A 100 1.233 4.926 1.213 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.153 4.597 1.788 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.292 4.063 1.904 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.696 3.318 1.146 1.00 0.00 C ATOM 0 H ILE A 100 0.433 6.866 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 100 1.431 6.641 2.508 1.00 0.00 H new ATOM 0 HB ILE A 100 1.238 4.720 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.087 4.472 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.838 5.425 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.069 3.009 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.275 4.296 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.287 4.269 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.679 3.092 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.779 3.459 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.017 2.491 1.352 1.00 0.00 H new ATOM 398 N SER A 101 3.904 6.737 1.931 1.00 0.00 N ATOM 399 CA SER A 101 5.319 7.009 1.554 1.00 0.00 C ATOM 400 C SER A 101 6.144 5.735 1.748 1.00 0.00 C ATOM 401 O SER A 101 5.627 4.703 2.128 1.00 0.00 O ATOM 402 CB SER A 101 5.878 8.123 2.438 1.00 0.00 C ATOM 403 OG SER A 101 5.862 7.698 3.794 1.00 0.00 O ATOM 0 H SER A 101 3.738 6.597 2.928 1.00 0.00 H new ATOM 0 HA SER A 101 5.368 7.321 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.895 8.369 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.283 9.029 2.322 1.00 0.00 H new ATOM 0 HG SER A 101 6.222 8.409 4.364 1.00 0.00 H new ATOM 409 N ALA A 102 7.422 5.794 1.490 1.00 0.00 N ATOM 410 CA ALA A 102 8.267 4.580 1.665 1.00 0.00 C ATOM 411 C ALA A 102 8.245 4.157 3.134 1.00 0.00 C ATOM 412 O ALA A 102 8.092 2.996 3.455 1.00 0.00 O ATOM 413 CB ALA A 102 9.704 4.889 1.241 1.00 0.00 C ATOM 0 H ALA A 102 7.915 6.626 1.167 1.00 0.00 H new ATOM 0 HA ALA A 102 7.877 3.772 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.321 3.999 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.717 5.191 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.099 5.697 1.857 1.00 0.00 H new ATOM 419 N ALA A 103 8.398 5.094 4.028 1.00 0.00 N ATOM 420 CA ALA A 103 8.387 4.753 5.473 1.00 0.00 C ATOM 421 C ALA A 103 7.053 4.100 5.834 1.00 0.00 C ATOM 422 O ALA A 103 7.011 3.081 6.495 1.00 0.00 O ATOM 423 CB ALA A 103 8.574 6.026 6.300 1.00 0.00 C ATOM 0 H ALA A 103 8.530 6.083 3.817 1.00 0.00 H new ATOM 0 HA ALA A 103 9.200 4.059 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.566 5.775 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.527 6.490 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.763 6.722 6.085 1.00 0.00 H new ATOM 429 N GLU A 104 5.962 4.667 5.397 1.00 0.00 N ATOM 430 CA GLU A 104 4.643 4.059 5.713 1.00 0.00 C ATOM 431 C GLU A 104 4.586 2.677 5.068 1.00 0.00 C ATOM 432 O GLU A 104 3.873 1.802 5.513 1.00 0.00 O ATOM 433 CB GLU A 104 3.525 4.943 5.155 1.00 0.00 C ATOM 434 CG GLU A 104 3.693 6.368 5.687 1.00 0.00 C ATOM 435 CD GLU A 104 2.423 7.173 5.405 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.350 7.775 4.346 1.00 0.00 O ATOM 437 OE2 GLU A 104 1.547 7.177 6.254 1.00 0.00 O ATOM 0 H GLU A 104 5.928 5.520 4.838 1.00 0.00 H new ATOM 0 HA GLU A 104 4.514 3.972 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.556 4.943 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.552 4.546 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.892 6.346 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.551 6.845 5.214 1.00 0.00 H new ATOM 444 N LEU A 105 5.356 2.464 4.033 1.00 0.00 N ATOM 445 CA LEU A 105 5.362 1.127 3.386 1.00 0.00 C ATOM 446 C LEU A 105 6.063 0.151 4.325 1.00 0.00 C ATOM 447 O LEU A 105 5.658 -0.985 4.480 1.00 0.00 O ATOM 448 CB LEU A 105 6.118 1.189 2.058 1.00 0.00 C ATOM 449 CG LEU A 105 6.256 -0.224 1.491 1.00 0.00 C ATOM 450 CD1 LEU A 105 4.869 -0.789 1.184 1.00 0.00 C ATOM 451 CD2 LEU A 105 7.081 -0.181 0.206 1.00 0.00 C ATOM 0 H LEU A 105 5.976 3.156 3.613 1.00 0.00 H new ATOM 0 HA LEU A 105 4.340 0.803 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.585 1.826 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.103 1.632 2.207 1.00 0.00 H new ATOM 0 HG LEU A 105 6.755 -0.860 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.968 -1.796 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.279 -0.822 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.370 -0.152 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.179 -1.189 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.583 0.456 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.071 0.221 0.422 1.00 0.00 H new ATOM 463 N ARG A 106 7.102 0.601 4.976 1.00 0.00 N ATOM 464 CA ARG A 106 7.821 -0.281 5.932 1.00 0.00 C ATOM 465 C ARG A 106 6.920 -0.484 7.157 1.00 0.00 C ATOM 466 O ARG A 106 7.179 -1.314 8.006 1.00 0.00 O ATOM 467 CB ARG A 106 9.152 0.390 6.332 1.00 0.00 C ATOM 468 CG ARG A 106 9.454 0.164 7.821 1.00 0.00 C ATOM 469 CD ARG A 106 10.772 0.850 8.201 1.00 0.00 C ATOM 470 NE ARG A 106 11.052 1.973 7.259 1.00 0.00 N ATOM 471 CZ ARG A 106 12.054 1.887 6.427 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.279 1.917 6.875 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.830 1.769 5.146 1.00 0.00 N ATOM 0 H ARG A 106 7.482 1.543 4.885 1.00 0.00 H new ATOM 0 HA ARG A 106 8.046 -1.249 5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.964 -0.014 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.102 1.459 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.641 0.559 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.518 -0.904 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.714 1.227 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.589 0.128 8.173 1.00 0.00 H new ATOM 0 HE ARG A 106 10.462 2.805 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.454 2.008 7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.062 1.850 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.872 1.744 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.613 1.702 4.495 1.00 0.00 H new ATOM 487 N HIS A 107 5.866 0.279 7.251 1.00 0.00 N ATOM 488 CA HIS A 107 4.944 0.148 8.409 1.00 0.00 C ATOM 489 C HIS A 107 4.406 -1.280 8.491 1.00 0.00 C ATOM 490 O HIS A 107 4.375 -1.884 9.544 1.00 0.00 O ATOM 491 CB HIS A 107 3.771 1.112 8.227 1.00 0.00 C ATOM 492 CG HIS A 107 2.809 0.930 9.362 1.00 0.00 C ATOM 493 ND1 HIS A 107 1.436 1.022 9.199 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.013 0.644 10.684 1.00 0.00 C ATOM 495 CE1 HIS A 107 0.870 0.795 10.400 1.00 0.00 C ATOM 496 NE2 HIS A 107 1.790 0.558 11.341 1.00 0.00 N ATOM 0 H HIS A 107 5.604 0.992 6.570 1.00 0.00 H new ATOM 0 HA HIS A 107 5.485 0.382 9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.130 2.141 8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.272 0.923 7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.978 0.506 11.148 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.195 0.803 10.581 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.629 0.357 12.328 1.00 0.00 H new ATOM 504 N VAL A 108 3.961 -1.818 7.389 1.00 0.00 N ATOM 505 CA VAL A 108 3.403 -3.193 7.403 1.00 0.00 C ATOM 506 C VAL A 108 4.387 -4.167 6.749 1.00 0.00 C ATOM 507 O VAL A 108 4.173 -5.362 6.732 1.00 0.00 O ATOM 508 CB VAL A 108 2.100 -3.188 6.615 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.342 -4.494 6.860 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.245 -2.000 7.065 1.00 0.00 C ATOM 0 H VAL A 108 3.961 -1.360 6.478 1.00 0.00 H new ATOM 0 HA VAL A 108 3.227 -3.510 8.431 1.00 0.00 H new ATOM 0 HB VAL A 108 2.317 -3.099 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.410 -4.486 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.955 -5.336 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.120 -4.592 7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.310 -1.991 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.028 -2.090 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.787 -1.072 6.882 1.00 0.00 H new ATOM 520 N MET A 109 5.457 -3.661 6.199 1.00 0.00 N ATOM 521 CA MET A 109 6.455 -4.542 5.528 1.00 0.00 C ATOM 522 C MET A 109 6.646 -5.845 6.313 1.00 0.00 C ATOM 523 O MET A 109 6.807 -6.902 5.739 1.00 0.00 O ATOM 524 CB MET A 109 7.793 -3.811 5.444 1.00 0.00 C ATOM 525 CG MET A 109 8.213 -3.362 6.842 1.00 0.00 C ATOM 526 SD MET A 109 9.413 -4.534 7.520 1.00 0.00 S ATOM 527 CE MET A 109 10.533 -3.313 8.247 1.00 0.00 C ATOM 0 H MET A 109 5.684 -2.667 6.186 1.00 0.00 H new ATOM 0 HA MET A 109 6.090 -4.784 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 109 8.552 -4.466 5.017 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.708 -2.948 4.783 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.649 -2.364 6.799 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.341 -3.301 7.493 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.393 -3.822 8.683 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.873 -2.625 7.473 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.009 -2.756 9.023 1.00 0.00 H new ATOM 537 N THR A 110 6.647 -5.784 7.617 1.00 0.00 N ATOM 538 CA THR A 110 6.846 -7.030 8.414 1.00 0.00 C ATOM 539 C THR A 110 5.494 -7.628 8.807 1.00 0.00 C ATOM 540 O THR A 110 5.335 -8.830 8.881 1.00 0.00 O ATOM 541 CB THR A 110 7.648 -6.705 9.674 1.00 0.00 C ATOM 542 OG1 THR A 110 8.114 -7.912 10.262 1.00 0.00 O ATOM 543 CG2 THR A 110 6.757 -5.964 10.664 1.00 0.00 C ATOM 0 H THR A 110 6.520 -4.932 8.163 1.00 0.00 H new ATOM 0 HA THR A 110 7.390 -7.756 7.809 1.00 0.00 H new ATOM 0 HB THR A 110 8.500 -6.077 9.413 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.630 -7.705 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.327 -5.731 11.563 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.401 -5.039 10.211 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.905 -6.591 10.927 1.00 0.00 H new ATOM 551 N ASN A 111 4.521 -6.802 9.064 1.00 0.00 N ATOM 552 CA ASN A 111 3.185 -7.329 9.459 1.00 0.00 C ATOM 553 C ASN A 111 2.645 -8.253 8.366 1.00 0.00 C ATOM 554 O ASN A 111 1.749 -9.042 8.596 1.00 0.00 O ATOM 555 CB ASN A 111 2.223 -6.157 9.660 1.00 0.00 C ATOM 556 CG ASN A 111 2.279 -5.701 11.119 1.00 0.00 C ATOM 557 OD1 ASN A 111 1.794 -6.382 12.000 1.00 0.00 O ATOM 558 ND2 ASN A 111 2.855 -4.567 11.415 1.00 0.00 N ATOM 0 H ASN A 111 4.592 -5.785 9.018 1.00 0.00 H new ATOM 0 HA ASN A 111 3.278 -7.893 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.492 -5.333 8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.208 -6.456 9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.897 -4.254 12.385 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.263 -3.994 10.676 1.00 0.00 H new ATOM 565 N LEU A 112 3.173 -8.162 7.175 1.00 0.00 N ATOM 566 CA LEU A 112 2.668 -9.039 6.079 1.00 0.00 C ATOM 567 C LEU A 112 3.802 -9.446 5.125 1.00 0.00 C ATOM 568 O LEU A 112 3.683 -10.415 4.401 1.00 0.00 O ATOM 569 CB LEU A 112 1.590 -8.289 5.293 1.00 0.00 C ATOM 570 CG LEU A 112 0.210 -8.807 5.700 1.00 0.00 C ATOM 571 CD1 LEU A 112 -0.851 -7.762 5.355 1.00 0.00 C ATOM 572 CD2 LEU A 112 -0.089 -10.105 4.943 1.00 0.00 C ATOM 0 H LEU A 112 3.925 -7.524 6.915 1.00 0.00 H new ATOM 0 HA LEU A 112 2.254 -9.944 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.661 -7.219 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.742 -8.429 4.223 1.00 0.00 H new ATOM 0 HG LEU A 112 0.196 -8.998 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.834 -8.132 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.639 -6.837 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.838 -7.571 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.072 -10.476 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.074 -9.912 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.667 -10.851 5.188 1.00 0.00 H new ATOM 584 N GLY A 113 4.891 -8.724 5.098 1.00 0.00 N ATOM 585 CA GLY A 113 5.997 -9.097 4.168 1.00 0.00 C ATOM 586 C GLY A 113 7.301 -9.292 4.948 1.00 0.00 C ATOM 587 O GLY A 113 8.377 -9.268 4.385 1.00 0.00 O ATOM 0 H GLY A 113 5.062 -7.900 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.742 -10.014 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.127 -8.319 3.416 1.00 0.00 H new ATOM 591 N GLU A 114 7.218 -9.484 6.234 1.00 0.00 N ATOM 592 CA GLU A 114 8.460 -9.681 7.036 1.00 0.00 C ATOM 593 C GLU A 114 9.380 -8.468 6.865 1.00 0.00 C ATOM 594 O GLU A 114 9.063 -7.531 6.159 1.00 0.00 O ATOM 595 CB GLU A 114 9.184 -10.941 6.555 1.00 0.00 C ATOM 596 CG GLU A 114 8.281 -12.160 6.762 1.00 0.00 C ATOM 597 CD GLU A 114 9.134 -13.428 6.823 1.00 0.00 C ATOM 598 OE1 GLU A 114 9.977 -13.511 7.702 1.00 0.00 O ATOM 599 OE2 GLU A 114 8.929 -14.297 5.991 1.00 0.00 O ATOM 0 H GLU A 114 6.347 -9.513 6.765 1.00 0.00 H new ATOM 0 HA GLU A 114 8.197 -9.791 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.445 -10.843 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.117 -11.069 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.710 -12.049 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.560 -12.234 5.947 1.00 0.00 H new ATOM 606 N LYS A 115 10.514 -8.477 7.510 1.00 0.00 N ATOM 607 CA LYS A 115 11.453 -7.325 7.394 1.00 0.00 C ATOM 608 C LYS A 115 11.768 -7.055 5.919 1.00 0.00 C ATOM 609 O LYS A 115 12.061 -7.957 5.160 1.00 0.00 O ATOM 610 CB LYS A 115 12.748 -7.653 8.140 1.00 0.00 C ATOM 611 CG LYS A 115 13.245 -9.038 7.721 1.00 0.00 C ATOM 612 CD LYS A 115 14.715 -9.193 8.116 1.00 0.00 C ATOM 613 CE LYS A 115 14.913 -10.519 8.852 1.00 0.00 C ATOM 614 NZ LYS A 115 15.968 -10.358 9.891 1.00 0.00 N ATOM 0 H LYS A 115 10.832 -9.235 8.114 1.00 0.00 H new ATOM 0 HA LYS A 115 10.991 -6.438 7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.506 -6.902 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.576 -7.627 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.645 -9.812 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.131 -9.167 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.346 -9.161 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.020 -8.363 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.977 -10.834 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.198 -11.300 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.103 -11.260 10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.861 -10.076 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.678 -9.625 10.570 1.00 0.00 H new ATOM 628 N LEU A 116 11.715 -5.815 5.510 1.00 0.00 N ATOM 629 CA LEU A 116 12.016 -5.481 4.089 1.00 0.00 C ATOM 630 C LEU A 116 13.358 -4.756 4.017 1.00 0.00 C ATOM 631 O LEU A 116 14.131 -4.758 4.955 1.00 0.00 O ATOM 632 CB LEU A 116 10.922 -4.561 3.531 1.00 0.00 C ATOM 633 CG LEU A 116 10.206 -5.253 2.368 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.172 -6.237 2.919 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.502 -4.199 1.503 1.00 0.00 C ATOM 0 H LEU A 116 11.476 -5.018 6.100 1.00 0.00 H new ATOM 0 HA LEU A 116 12.055 -6.399 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.207 -4.314 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.361 -3.622 3.193 1.00 0.00 H new ATOM 0 HG LEU A 116 10.933 -5.793 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.662 -6.730 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.673 -6.985 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.444 -5.698 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.992 -4.690 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.774 -3.659 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.239 -3.499 1.111 1.00 0.00 H new ATOM 647 N THR A 117 13.635 -4.127 2.911 1.00 0.00 N ATOM 648 CA THR A 117 14.919 -3.388 2.770 1.00 0.00 C ATOM 649 C THR A 117 14.705 -2.201 1.832 1.00 0.00 C ATOM 650 O THR A 117 13.624 -1.654 1.746 1.00 0.00 O ATOM 651 CB THR A 117 15.991 -4.313 2.185 1.00 0.00 C ATOM 652 OG1 THR A 117 15.866 -4.347 0.770 1.00 0.00 O ATOM 653 CG2 THR A 117 15.815 -5.722 2.751 1.00 0.00 C ATOM 0 H THR A 117 13.025 -4.093 2.095 1.00 0.00 H new ATOM 0 HA THR A 117 15.248 -3.037 3.748 1.00 0.00 H new ATOM 0 HB THR A 117 16.979 -3.939 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.553 -4.937 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.578 -6.379 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.914 -5.693 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.827 -6.099 2.487 1.00 0.00 H new ATOM 661 N ASP A 118 15.722 -1.803 1.121 1.00 0.00 N ATOM 662 CA ASP A 118 15.568 -0.658 0.181 1.00 0.00 C ATOM 663 C ASP A 118 15.079 -1.173 -1.172 1.00 0.00 C ATOM 664 O ASP A 118 14.135 -0.660 -1.739 1.00 0.00 O ATOM 665 CB ASP A 118 16.911 0.045 0.006 1.00 0.00 C ATOM 666 CG ASP A 118 17.042 1.164 1.040 1.00 0.00 C ATOM 667 OD1 ASP A 118 17.505 0.885 2.133 1.00 0.00 O ATOM 668 OD2 ASP A 118 16.676 2.284 0.720 1.00 0.00 O ATOM 0 H ASP A 118 16.652 -2.220 1.150 1.00 0.00 H new ATOM 0 HA ASP A 118 14.842 0.048 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.725 -0.670 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.990 0.455 -1.001 1.00 0.00 H new ATOM 673 N GLU A 119 15.716 -2.184 -1.697 1.00 0.00 N ATOM 674 CA GLU A 119 15.289 -2.731 -3.014 1.00 0.00 C ATOM 675 C GLU A 119 13.930 -3.418 -2.876 1.00 0.00 C ATOM 676 O GLU A 119 13.261 -3.690 -3.853 1.00 0.00 O ATOM 677 CB GLU A 119 16.324 -3.745 -3.501 1.00 0.00 C ATOM 678 CG GLU A 119 16.904 -3.279 -4.838 1.00 0.00 C ATOM 679 CD GLU A 119 16.768 -4.394 -5.879 1.00 0.00 C ATOM 680 OE1 GLU A 119 16.203 -5.423 -5.550 1.00 0.00 O ATOM 681 OE2 GLU A 119 17.233 -4.197 -6.989 1.00 0.00 O ATOM 0 H GLU A 119 16.514 -2.654 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 119 15.207 -1.915 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.120 -3.851 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.862 -4.726 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.382 -2.385 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.953 -3.009 -4.716 1.00 0.00 H new ATOM 688 N GLU A 120 13.516 -3.707 -1.675 1.00 0.00 N ATOM 689 CA GLU A 120 12.210 -4.378 -1.478 1.00 0.00 C ATOM 690 C GLU A 120 11.145 -3.322 -1.214 1.00 0.00 C ATOM 691 O GLU A 120 10.015 -3.440 -1.639 1.00 0.00 O ATOM 692 CB GLU A 120 12.306 -5.294 -0.264 1.00 0.00 C ATOM 693 CG GLU A 120 13.696 -5.918 -0.193 1.00 0.00 C ATOM 694 CD GLU A 120 13.575 -7.442 -0.166 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.278 -7.975 0.890 1.00 0.00 O ATOM 696 OE2 GLU A 120 13.781 -8.050 -1.203 1.00 0.00 O ATOM 0 H GLU A 120 14.032 -3.505 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 120 11.950 -4.956 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.105 -4.729 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 120 11.550 -6.076 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.290 -5.606 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.217 -5.569 0.699 1.00 0.00 H new ATOM 703 N VAL A 121 11.503 -2.294 -0.499 1.00 0.00 N ATOM 704 CA VAL A 121 10.515 -1.220 -0.189 1.00 0.00 C ATOM 705 C VAL A 121 10.225 -0.400 -1.452 1.00 0.00 C ATOM 706 O VAL A 121 9.150 -0.468 -2.012 1.00 0.00 O ATOM 707 CB VAL A 121 11.078 -0.306 0.903 1.00 0.00 C ATOM 708 CG1 VAL A 121 10.265 0.990 0.962 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.983 -1.021 2.252 1.00 0.00 C ATOM 0 H VAL A 121 12.437 -2.149 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 121 9.588 -1.674 0.162 1.00 0.00 H new ATOM 0 HB VAL A 121 12.118 -0.070 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.669 1.638 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.322 1.499 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.224 0.757 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.382 -0.376 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.940 -1.252 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.559 -1.946 2.215 1.00 0.00 H new ATOM 719 N ASP A 122 11.170 0.380 -1.903 1.00 0.00 N ATOM 720 CA ASP A 122 10.936 1.203 -3.124 1.00 0.00 C ATOM 721 C ASP A 122 10.397 0.312 -4.242 1.00 0.00 C ATOM 722 O ASP A 122 9.680 0.762 -5.110 1.00 0.00 O ATOM 723 CB ASP A 122 12.251 1.846 -3.570 1.00 0.00 C ATOM 724 CG ASP A 122 12.001 2.725 -4.797 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.675 2.177 -5.836 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.142 3.931 -4.676 1.00 0.00 O ATOM 0 H ASP A 122 12.092 0.483 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 122 10.210 1.985 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.668 2.444 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.984 1.074 -3.806 1.00 0.00 H new ATOM 731 N GLU A 123 10.727 -0.952 -4.225 1.00 0.00 N ATOM 732 CA GLU A 123 10.216 -1.863 -5.286 1.00 0.00 C ATOM 733 C GLU A 123 8.744 -2.163 -5.007 1.00 0.00 C ATOM 734 O GLU A 123 7.929 -2.216 -5.906 1.00 0.00 O ATOM 735 CB GLU A 123 11.016 -3.167 -5.284 1.00 0.00 C ATOM 736 CG GLU A 123 10.541 -4.054 -6.437 1.00 0.00 C ATOM 737 CD GLU A 123 11.470 -5.260 -6.571 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.239 -5.498 -5.653 1.00 0.00 O ATOM 739 OE2 GLU A 123 11.398 -5.927 -7.590 1.00 0.00 O ATOM 0 H GLU A 123 11.326 -1.390 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 123 10.322 -1.388 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.080 -2.954 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.886 -3.685 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.519 -4.387 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.530 -3.485 -7.367 1.00 0.00 H new ATOM 746 N MET A 124 8.392 -2.339 -3.761 1.00 0.00 N ATOM 747 CA MET A 124 6.972 -2.610 -3.422 1.00 0.00 C ATOM 748 C MET A 124 6.146 -1.403 -3.862 1.00 0.00 C ATOM 749 O MET A 124 4.992 -1.517 -4.226 1.00 0.00 O ATOM 750 CB MET A 124 6.831 -2.828 -1.917 1.00 0.00 C ATOM 751 CG MET A 124 6.906 -4.325 -1.610 1.00 0.00 C ATOM 752 SD MET A 124 6.404 -4.615 0.106 1.00 0.00 S ATOM 753 CE MET A 124 4.615 -4.553 -0.165 1.00 0.00 C ATOM 0 H MET A 124 9.030 -2.306 -2.966 1.00 0.00 H new ATOM 0 HA MET A 124 6.622 -3.509 -3.930 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.621 -2.297 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.882 -2.421 -1.567 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.257 -4.879 -2.289 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.921 -4.690 -1.770 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.098 -4.798 0.763 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.330 -3.551 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.339 -5.272 -0.936 1.00 0.00 H new ATOM 763 N ILE A 125 6.748 -0.246 -3.846 1.00 0.00 N ATOM 764 CA ILE A 125 6.037 0.983 -4.276 1.00 0.00 C ATOM 765 C ILE A 125 5.974 1.006 -5.804 1.00 0.00 C ATOM 766 O ILE A 125 4.978 1.370 -6.396 1.00 0.00 O ATOM 767 CB ILE A 125 6.813 2.205 -3.782 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.620 2.336 -2.261 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.296 3.457 -4.500 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.732 3.803 -1.827 1.00 0.00 C ATOM 0 H ILE A 125 7.713 -0.102 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 125 5.028 0.998 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 125 7.875 2.092 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.645 1.941 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.369 1.739 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.847 4.330 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.438 3.345 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.235 3.587 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.593 3.875 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.717 4.187 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.966 4.391 -2.332 1.00 0.00 H new ATOM 782 N ARG A 126 7.044 0.624 -6.439 1.00 0.00 N ATOM 783 CA ARG A 126 7.084 0.614 -7.929 1.00 0.00 C ATOM 784 C ARG A 126 5.965 -0.276 -8.475 1.00 0.00 C ATOM 785 O ARG A 126 5.411 -0.018 -9.526 1.00 0.00 O ATOM 786 CB ARG A 126 8.436 0.068 -8.395 1.00 0.00 C ATOM 787 CG ARG A 126 9.243 1.186 -9.058 1.00 0.00 C ATOM 788 CD ARG A 126 10.663 0.691 -9.335 1.00 0.00 C ATOM 789 NE ARG A 126 10.606 -0.661 -9.961 1.00 0.00 N ATOM 790 CZ ARG A 126 10.454 -0.775 -11.252 1.00 0.00 C ATOM 791 NH1 ARG A 126 9.267 -0.665 -11.782 1.00 0.00 N ATOM 792 NH2 ARG A 126 11.490 -1.002 -12.013 1.00 0.00 N ATOM 0 H ARG A 126 7.904 0.314 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 126 6.947 1.630 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.987 -0.338 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.285 -0.751 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.765 1.492 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.271 2.062 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.180 1.387 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.233 0.650 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 126 10.686 -1.496 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.457 -0.490 -11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.149 -0.754 -12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.418 -1.090 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.372 -1.091 -13.022 1.00 0.00 H new ATOM 806 N GLU A 127 5.627 -1.323 -7.774 1.00 0.00 N ATOM 807 CA GLU A 127 4.544 -2.223 -8.260 1.00 0.00 C ATOM 808 C GLU A 127 3.193 -1.614 -7.893 1.00 0.00 C ATOM 809 O GLU A 127 2.173 -1.935 -8.470 1.00 0.00 O ATOM 810 CB GLU A 127 4.691 -3.600 -7.606 1.00 0.00 C ATOM 811 CG GLU A 127 4.343 -3.506 -6.119 1.00 0.00 C ATOM 812 CD GLU A 127 3.232 -4.504 -5.789 1.00 0.00 C ATOM 813 OE1 GLU A 127 3.249 -5.585 -6.353 1.00 0.00 O ATOM 814 OE2 GLU A 127 2.382 -4.169 -4.979 1.00 0.00 O ATOM 0 H GLU A 127 6.053 -1.594 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 127 4.611 -2.336 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.035 -4.318 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.711 -3.964 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.225 -3.716 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.021 -2.494 -5.873 1.00 0.00 H new ATOM 821 N ALA A 128 3.185 -0.729 -6.938 1.00 0.00 N ATOM 822 CA ALA A 128 1.911 -0.080 -6.526 1.00 0.00 C ATOM 823 C ALA A 128 1.785 1.280 -7.216 1.00 0.00 C ATOM 824 O ALA A 128 0.773 1.942 -7.125 1.00 0.00 O ATOM 825 CB ALA A 128 1.919 0.119 -5.011 1.00 0.00 C ATOM 0 H ALA A 128 4.011 -0.425 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 128 1.069 -0.710 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.988 0.594 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.014 -0.848 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.760 0.753 -4.732 1.00 0.00 H new ATOM 831 N ASP A 129 2.810 1.700 -7.907 1.00 0.00 N ATOM 832 CA ASP A 129 2.751 3.016 -8.603 1.00 0.00 C ATOM 833 C ASP A 129 2.198 2.817 -10.015 1.00 0.00 C ATOM 834 O ASP A 129 2.633 1.948 -10.745 1.00 0.00 O ATOM 835 CB ASP A 129 4.157 3.614 -8.684 1.00 0.00 C ATOM 836 CG ASP A 129 4.387 4.544 -7.492 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.427 5.153 -7.048 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.517 4.631 -7.043 1.00 0.00 O ATOM 0 H ASP A 129 3.685 1.188 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 129 2.101 3.694 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.902 2.818 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.276 4.165 -9.617 1.00 0.00 H new ATOM 843 N ILE A 130 1.237 3.607 -10.405 1.00 0.00 N ATOM 844 CA ILE A 130 0.652 3.457 -11.759 1.00 0.00 C ATOM 845 C ILE A 130 1.156 4.578 -12.666 1.00 0.00 C ATOM 846 O ILE A 130 1.323 4.400 -13.857 1.00 0.00 O ATOM 847 CB ILE A 130 -0.864 3.540 -11.646 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.346 2.535 -10.599 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.499 3.220 -13.000 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.797 2.839 -10.228 1.00 0.00 C ATOM 0 H ILE A 130 0.832 4.353 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 130 0.945 2.497 -12.184 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.154 4.547 -11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.265 1.520 -10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.714 2.587 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.584 3.280 -12.916 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.152 3.938 -13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.214 2.214 -13.307 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.140 2.122 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.865 3.848 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.423 2.764 -11.117 1.00 0.00 H new ATOM 862 N ASP A 131 1.397 5.731 -12.114 1.00 0.00 N ATOM 863 CA ASP A 131 1.886 6.865 -12.947 1.00 0.00 C ATOM 864 C ASP A 131 3.395 7.032 -12.759 1.00 0.00 C ATOM 865 O ASP A 131 4.123 7.261 -13.706 1.00 0.00 O ATOM 866 CB ASP A 131 1.175 8.156 -12.531 1.00 0.00 C ATOM 867 CG ASP A 131 1.057 8.209 -11.008 1.00 0.00 C ATOM 868 OD1 ASP A 131 1.978 8.703 -10.379 1.00 0.00 O ATOM 869 OD2 ASP A 131 0.046 7.756 -10.496 1.00 0.00 O ATOM 0 H ASP A 131 1.277 5.939 -11.123 1.00 0.00 H new ATOM 0 HA ASP A 131 1.673 6.655 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.730 9.021 -12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.185 8.200 -12.984 1.00 0.00 H new ATOM 874 N GLY A 132 3.878 6.922 -11.551 1.00 0.00 N ATOM 875 CA GLY A 132 5.340 7.082 -11.325 1.00 0.00 C ATOM 876 C GLY A 132 5.595 8.385 -10.570 1.00 0.00 C ATOM 877 O GLY A 132 6.575 9.066 -10.799 1.00 0.00 O ATOM 0 H GLY A 132 3.325 6.729 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.726 6.237 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.868 7.092 -12.279 1.00 0.00 H new ATOM 881 N ASP A 133 4.721 8.736 -9.667 1.00 0.00 N ATOM 882 CA ASP A 133 4.916 9.993 -8.894 1.00 0.00 C ATOM 883 C ASP A 133 5.936 9.741 -7.793 1.00 0.00 C ATOM 884 O ASP A 133 6.626 10.634 -7.343 1.00 0.00 O ATOM 885 CB ASP A 133 3.591 10.423 -8.268 1.00 0.00 C ATOM 886 CG ASP A 133 2.870 9.203 -7.691 1.00 0.00 C ATOM 887 OD1 ASP A 133 3.524 8.406 -7.038 1.00 0.00 O ATOM 888 OD2 ASP A 133 1.675 9.086 -7.911 1.00 0.00 O ATOM 0 H ASP A 133 3.881 8.207 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 133 5.271 10.781 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.771 11.156 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.964 10.907 -9.017 1.00 0.00 H new ATOM 893 N GLY A 134 6.034 8.524 -7.365 1.00 0.00 N ATOM 894 CA GLY A 134 7.013 8.182 -6.293 1.00 0.00 C ATOM 895 C GLY A 134 6.272 7.625 -5.078 1.00 0.00 C ATOM 896 O GLY A 134 6.708 6.680 -4.452 1.00 0.00 O ATOM 0 H GLY A 134 5.478 7.741 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.730 7.448 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.581 9.068 -6.010 1.00 0.00 H new ATOM 900 N GLN A 135 5.153 8.203 -4.738 1.00 0.00 N ATOM 901 CA GLN A 135 4.387 7.703 -3.562 1.00 0.00 C ATOM 902 C GLN A 135 3.102 7.033 -4.040 1.00 0.00 C ATOM 903 O GLN A 135 2.849 6.921 -5.223 1.00 0.00 O ATOM 904 CB GLN A 135 4.036 8.870 -2.637 1.00 0.00 C ATOM 905 CG GLN A 135 3.083 9.825 -3.353 1.00 0.00 C ATOM 906 CD GLN A 135 3.863 11.027 -3.889 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.939 10.876 -4.433 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.362 12.224 -3.754 1.00 0.00 N ATOM 0 H GLN A 135 4.737 8.998 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 135 4.997 6.982 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.574 8.496 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.943 9.399 -2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.583 9.309 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.306 10.161 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.459 12.350 -3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.874 13.034 -4.105 1.00 0.00 H new ATOM 917 N VAL A 136 2.288 6.585 -3.128 1.00 0.00 N ATOM 918 CA VAL A 136 1.020 5.922 -3.521 1.00 0.00 C ATOM 919 C VAL A 136 -0.148 6.670 -2.879 1.00 0.00 C ATOM 920 O VAL A 136 0.043 7.548 -2.070 1.00 0.00 O ATOM 921 CB VAL A 136 1.053 4.477 -3.018 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.254 3.771 -3.371 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.221 3.741 -3.674 1.00 0.00 C ATOM 0 H VAL A 136 2.449 6.651 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 136 0.900 5.931 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 136 1.177 4.477 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.222 2.743 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.088 4.294 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.387 3.771 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.248 2.711 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.093 3.748 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.156 4.239 -3.416 1.00 0.00 H new ATOM 933 N ASN A 137 -1.354 6.342 -3.232 1.00 0.00 N ATOM 934 CA ASN A 137 -2.511 7.040 -2.627 1.00 0.00 C ATOM 935 C ASN A 137 -3.687 6.068 -2.548 1.00 0.00 C ATOM 936 O ASN A 137 -3.544 4.900 -2.837 1.00 0.00 O ATOM 937 CB ASN A 137 -2.867 8.252 -3.474 1.00 0.00 C ATOM 938 CG ASN A 137 -2.661 7.930 -4.955 1.00 0.00 C ATOM 939 OD1 ASN A 137 -1.607 7.476 -5.351 1.00 0.00 O ATOM 940 ND2 ASN A 137 -3.632 8.156 -5.797 1.00 0.00 N ATOM 0 H ASN A 137 -1.587 5.620 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.266 7.382 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.903 8.539 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.247 9.102 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.506 7.951 -6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.517 8.537 -5.464 1.00 0.00 H new ATOM 947 N TYR A 138 -4.836 6.516 -2.134 1.00 0.00 N ATOM 948 CA TYR A 138 -5.984 5.580 -2.021 1.00 0.00 C ATOM 949 C TYR A 138 -6.496 5.182 -3.406 1.00 0.00 C ATOM 950 O TYR A 138 -6.858 4.048 -3.634 1.00 0.00 O ATOM 951 CB TYR A 138 -7.112 6.241 -1.241 1.00 0.00 C ATOM 952 CG TYR A 138 -8.283 5.300 -1.220 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.147 4.056 -0.608 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.494 5.661 -1.819 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.220 3.163 -0.588 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.574 4.770 -1.801 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.436 3.518 -1.186 1.00 0.00 C ATOM 958 OH TYR A 138 -11.499 2.640 -1.166 1.00 0.00 O ATOM 0 H TYR A 138 -5.029 7.482 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.647 4.685 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.789 6.469 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.392 7.186 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.209 3.782 -0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.596 6.625 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.113 2.200 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.512 5.047 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.266 3.044 -1.624 1.00 0.00 H new ATOM 968 N GLU A 139 -6.548 6.100 -4.327 1.00 0.00 N ATOM 969 CA GLU A 139 -7.056 5.753 -5.682 1.00 0.00 C ATOM 970 C GLU A 139 -6.122 4.739 -6.347 1.00 0.00 C ATOM 971 O GLU A 139 -6.559 3.738 -6.880 1.00 0.00 O ATOM 972 CB GLU A 139 -7.135 7.016 -6.542 1.00 0.00 C ATOM 973 CG GLU A 139 -8.381 6.949 -7.428 1.00 0.00 C ATOM 974 CD GLU A 139 -8.258 7.969 -8.562 1.00 0.00 C ATOM 975 OE1 GLU A 139 -7.819 9.074 -8.291 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.604 7.627 -9.680 1.00 0.00 O ATOM 0 H GLU A 139 -6.262 7.071 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.050 5.316 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.174 7.901 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.241 7.106 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.495 5.946 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.273 7.154 -6.836 1.00 0.00 H new ATOM 983 N GLU A 140 -4.842 4.989 -6.330 1.00 0.00 N ATOM 984 CA GLU A 140 -3.893 4.034 -6.972 1.00 0.00 C ATOM 985 C GLU A 140 -3.792 2.760 -6.128 1.00 0.00 C ATOM 986 O GLU A 140 -3.598 1.678 -6.645 1.00 0.00 O ATOM 987 CB GLU A 140 -2.512 4.685 -7.083 1.00 0.00 C ATOM 988 CG GLU A 140 -2.634 6.020 -7.821 1.00 0.00 C ATOM 989 CD GLU A 140 -1.996 5.896 -9.206 1.00 0.00 C ATOM 990 OE1 GLU A 140 -0.791 5.719 -9.266 1.00 0.00 O ATOM 991 OE2 GLU A 140 -2.724 5.981 -10.182 1.00 0.00 O ATOM 0 H GLU A 140 -4.413 5.809 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.256 3.778 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.092 4.844 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.829 4.024 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.683 6.301 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.143 6.809 -7.252 1.00 0.00 H new ATOM 998 N PHE A 141 -3.917 2.880 -4.836 1.00 0.00 N ATOM 999 CA PHE A 141 -3.824 1.678 -3.962 1.00 0.00 C ATOM 1000 C PHE A 141 -5.085 0.826 -4.114 1.00 0.00 C ATOM 1001 O PHE A 141 -5.068 -0.367 -3.886 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.698 2.124 -2.508 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.832 0.925 -1.602 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.098 0.510 -1.173 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.689 0.231 -1.187 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.222 -0.599 -0.330 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.812 -0.877 -0.343 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.079 -1.293 0.085 1.00 0.00 C ATOM 0 H PHE A 141 -4.080 3.760 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.953 1.090 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.735 2.609 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.468 2.859 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.979 1.046 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.712 0.551 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.199 -0.920 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.931 -1.412 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.174 -2.150 0.736 1.00 0.00 H new ATOM 1018 N VAL A 142 -6.179 1.426 -4.486 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.437 0.642 -4.641 1.00 0.00 C ATOM 1020 C VAL A 142 -7.361 -0.203 -5.913 1.00 0.00 C ATOM 1021 O VAL A 142 -7.604 -1.392 -5.892 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.629 1.600 -4.730 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.863 0.843 -5.225 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.914 2.183 -3.343 1.00 0.00 C ATOM 0 H VAL A 142 -6.258 2.422 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.564 -0.014 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.396 2.405 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.709 1.527 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.662 0.424 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.099 0.037 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.762 2.865 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.146 1.375 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.037 2.724 -2.989 1.00 0.00 H new ATOM 1034 N GLN A 143 -7.032 0.401 -7.021 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.948 -0.369 -8.295 1.00 0.00 C ATOM 1036 C GLN A 143 -5.908 -1.485 -8.170 1.00 0.00 C ATOM 1037 O GLN A 143 -6.024 -2.523 -8.792 1.00 0.00 O ATOM 1038 CB GLN A 143 -6.550 0.570 -9.430 1.00 0.00 C ATOM 1039 CG GLN A 143 -7.786 1.310 -9.945 1.00 0.00 C ATOM 1040 CD GLN A 143 -7.408 2.141 -11.172 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -6.578 1.735 -11.963 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -7.984 3.296 -11.369 1.00 0.00 N ATOM 0 H GLN A 143 -6.817 1.395 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.921 -0.812 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.806 1.285 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -6.090 0.003 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.569 0.597 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -8.188 1.956 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.680 3.638 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.738 3.856 -12.185 1.00 0.00 H new ATOM 1051 N MET A 144 -4.887 -1.284 -7.381 1.00 0.00 N ATOM 1052 CA MET A 144 -3.844 -2.340 -7.235 1.00 0.00 C ATOM 1053 C MET A 144 -4.280 -3.362 -6.181 1.00 0.00 C ATOM 1054 O MET A 144 -3.921 -4.521 -6.241 1.00 0.00 O ATOM 1055 CB MET A 144 -2.524 -1.698 -6.806 1.00 0.00 C ATOM 1056 CG MET A 144 -1.364 -2.379 -7.533 1.00 0.00 C ATOM 1057 SD MET A 144 -1.399 -1.923 -9.285 1.00 0.00 S ATOM 1058 CE MET A 144 -1.097 -0.153 -9.066 1.00 0.00 C ATOM 0 H MET A 144 -4.730 -0.438 -6.833 1.00 0.00 H new ATOM 0 HA MET A 144 -3.711 -2.846 -8.191 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.535 -0.632 -7.035 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.396 -1.791 -5.728 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.415 -2.080 -7.087 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.439 -3.461 -7.426 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.363 0.184 -9.798 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.029 0.395 -9.207 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.717 0.030 -8.061 1.00 0.00 H new ATOM 1068 N MET A 145 -5.041 -2.940 -5.209 1.00 0.00 N ATOM 1069 CA MET A 145 -5.485 -3.883 -4.150 1.00 0.00 C ATOM 1070 C MET A 145 -6.830 -4.514 -4.532 1.00 0.00 C ATOM 1071 O MET A 145 -7.328 -5.384 -3.846 1.00 0.00 O ATOM 1072 CB MET A 145 -5.630 -3.127 -2.826 1.00 0.00 C ATOM 1073 CG MET A 145 -5.130 -4.003 -1.676 1.00 0.00 C ATOM 1074 SD MET A 145 -6.406 -5.210 -1.237 1.00 0.00 S ATOM 1075 CE MET A 145 -7.355 -4.144 -0.123 1.00 0.00 C ATOM 0 H MET A 145 -5.374 -1.981 -5.104 1.00 0.00 H new ATOM 0 HA MET A 145 -4.743 -4.674 -4.043 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.061 -2.198 -2.862 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.673 -2.856 -2.663 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.214 -4.516 -1.968 1.00 0.00 H new ATOM 0 HG3 MET A 145 -4.887 -3.384 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 145 -7.336 -4.561 0.884 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.915 -3.147 -0.111 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.386 -4.082 -0.470 1.00 0.00 H new ATOM 1085 N THR A 146 -7.425 -4.088 -5.615 1.00 0.00 N ATOM 1086 CA THR A 146 -8.737 -4.679 -6.018 1.00 0.00 C ATOM 1087 C THR A 146 -8.791 -4.861 -7.541 1.00 0.00 C ATOM 1088 O THR A 146 -9.234 -5.877 -8.038 1.00 0.00 O ATOM 1089 CB THR A 146 -9.883 -3.763 -5.552 1.00 0.00 C ATOM 1090 OG1 THR A 146 -11.049 -4.545 -5.339 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.181 -2.686 -6.605 1.00 0.00 C ATOM 0 H THR A 146 -7.064 -3.362 -6.234 1.00 0.00 H new ATOM 0 HA THR A 146 -8.847 -5.656 -5.548 1.00 0.00 H new ATOM 0 HB THR A 146 -9.584 -3.272 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 146 -11.839 -3.966 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.994 -2.050 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.290 -2.079 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.471 -3.163 -7.541 1.00 0.00 H new ATOM 1099 N ALA A 147 -8.352 -3.883 -8.284 1.00 0.00 N ATOM 1100 CA ALA A 147 -8.391 -4.000 -9.770 1.00 0.00 C ATOM 1101 C ALA A 147 -7.147 -4.744 -10.261 1.00 0.00 C ATOM 1102 O ALA A 147 -6.172 -4.879 -9.549 1.00 0.00 O ATOM 1103 CB ALA A 147 -8.426 -2.601 -10.388 1.00 0.00 C ATOM 0 H ALA A 147 -7.968 -3.008 -7.927 1.00 0.00 H new ATOM 0 HA ALA A 147 -9.282 -4.553 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -8.455 -2.684 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -9.314 -2.072 -10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -7.535 -2.049 -10.089 1.00 0.00 H new ATOM 1109 N LYS A 148 -7.173 -5.224 -11.474 1.00 0.00 N ATOM 1110 CA LYS A 148 -5.992 -5.957 -12.012 1.00 0.00 C ATOM 1111 C LYS A 148 -4.980 -4.951 -12.563 1.00 0.00 C ATOM 1112 O LYS A 148 -4.685 -3.994 -11.867 1.00 0.00 O ATOM 1113 CB LYS A 148 -6.439 -6.898 -13.132 1.00 0.00 C ATOM 1114 CG LYS A 148 -6.841 -6.078 -14.359 1.00 0.00 C ATOM 1115 CD LYS A 148 -8.202 -6.555 -14.869 1.00 0.00 C ATOM 1116 CE LYS A 148 -8.717 -5.582 -15.932 1.00 0.00 C ATOM 1117 NZ LYS A 148 -9.494 -6.332 -16.958 1.00 0.00 N ATOM 1118 OXT LYS A 148 -4.516 -5.156 -13.674 1.00 0.00 O ATOM 0 H LYS A 148 -7.961 -5.140 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.531 -6.540 -11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -5.632 -7.584 -13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.279 -7.506 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -6.888 -5.020 -14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -6.090 -6.184 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -8.114 -7.557 -15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.911 -6.617 -14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.345 -4.821 -15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -7.881 -5.063 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.844 -5.671 -17.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.881 -7.042 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -10.300 -6.807 -16.504 1.00 0.00 H new TER 1132 LYS A 148