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 Set 1.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= -7.52! C(o=-7.5!,f=-23!) 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 180:sc= 0.145 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -0.023 (180deg=-0.023) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.24! C(o=-4.1!,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.126 USER MOD Single : A 107 HIS : no HD1:sc=-0.00489 X(o=-0.0049,f=-0.01) USER MOD Single : A 109 MET CE :methyl -170:sc= -1.52 (180deg=-2) USER MOD Single : A 110 THR OG1 : rot -50:sc= -0.699 USER MOD Single : A 111 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -2.11! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.311 F(o=-1.6,f=-0.31) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.82! USER MOD Single : A 143 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.055) USER MOD Single : A 144 MET CE :methyl 133:sc= -0.775 (180deg=-1.52) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -138:sc= 0.025 (180deg=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -23.752 -8.470 9.093 1.00 0.00 N ATOM 2 CA MET A 76 -23.010 -9.427 8.226 1.00 0.00 C ATOM 3 C MET A 76 -22.684 -8.753 6.892 1.00 0.00 C ATOM 4 O MET A 76 -21.579 -8.845 6.395 1.00 0.00 O ATOM 5 CB MET A 76 -23.875 -10.664 7.977 1.00 0.00 C ATOM 6 CG MET A 76 -23.863 -11.554 9.222 1.00 0.00 C ATOM 7 SD MET A 76 -23.100 -13.144 8.821 1.00 0.00 S ATOM 8 CE MET A 76 -21.379 -12.645 9.084 1.00 0.00 C ATOM 0 HA MET A 76 -22.085 -9.726 8.718 1.00 0.00 H new ATOM 0 HB2 MET A 76 -24.896 -10.365 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 76 -23.498 -11.218 7.117 1.00 0.00 H new ATOM 0 HG2 MET A 76 -23.311 -11.066 10.025 1.00 0.00 H new ATOM 0 HG3 MET A 76 -24.880 -11.707 9.582 1.00 0.00 H new ATOM 0 HE1 MET A 76 -20.721 -13.491 8.888 1.00 0.00 H new ATOM 0 HE2 MET A 76 -21.130 -11.827 8.408 1.00 0.00 H new ATOM 0 HE3 MET A 76 -21.249 -12.315 10.115 1.00 0.00 H new ATOM 20 N LYS A 77 -23.636 -8.075 6.311 1.00 0.00 N ATOM 21 CA LYS A 77 -23.378 -7.392 5.011 1.00 0.00 C ATOM 22 C LYS A 77 -22.888 -8.413 3.980 1.00 0.00 C ATOM 23 O LYS A 77 -22.435 -9.487 4.321 1.00 0.00 O ATOM 24 CB LYS A 77 -22.308 -6.317 5.206 1.00 0.00 C ATOM 25 CG LYS A 77 -22.942 -4.931 5.074 1.00 0.00 C ATOM 26 CD LYS A 77 -23.148 -4.329 6.466 1.00 0.00 C ATOM 27 CE LYS A 77 -24.616 -3.937 6.640 1.00 0.00 C ATOM 28 NZ LYS A 77 -25.096 -4.387 7.976 1.00 0.00 N ATOM 0 H LYS A 77 -24.581 -7.964 6.680 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.300 -6.933 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.845 -6.424 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.517 -6.438 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.302 -4.282 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.897 -5.004 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.860 -5.049 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.509 -3.455 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.728 -2.857 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.220 -4.390 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.094 -4.120 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.003 -5.420 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.527 -3.935 8.720 1.00 0.00 H new ATOM 42 N ASP A 78 -22.971 -8.081 2.721 1.00 0.00 N ATOM 43 CA ASP A 78 -22.509 -9.026 1.666 1.00 0.00 C ATOM 44 C ASP A 78 -21.071 -8.679 1.267 1.00 0.00 C ATOM 45 O ASP A 78 -20.121 -9.148 1.863 1.00 0.00 O ATOM 46 CB ASP A 78 -23.421 -8.912 0.442 1.00 0.00 C ATOM 47 CG ASP A 78 -24.805 -9.464 0.783 1.00 0.00 C ATOM 48 OD1 ASP A 78 -24.946 -10.675 0.823 1.00 0.00 O ATOM 49 OD2 ASP A 78 -25.704 -8.666 0.997 1.00 0.00 O ATOM 0 H ASP A 78 -23.340 -7.194 2.377 1.00 0.00 H new ATOM 0 HA ASP A 78 -22.545 -10.046 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -23.500 -7.871 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -22.994 -9.464 -0.395 1.00 0.00 H new ATOM 54 N THR A 79 -20.904 -7.861 0.263 1.00 0.00 N ATOM 55 CA THR A 79 -19.532 -7.482 -0.175 1.00 0.00 C ATOM 56 C THR A 79 -18.683 -7.124 1.046 1.00 0.00 C ATOM 57 O THR A 79 -19.044 -6.279 1.841 1.00 0.00 O ATOM 58 CB THR A 79 -19.612 -6.274 -1.111 1.00 0.00 C ATOM 59 OG1 THR A 79 -20.901 -6.224 -1.707 1.00 0.00 O ATOM 60 CG2 THR A 79 -18.546 -6.396 -2.201 1.00 0.00 C ATOM 0 H THR A 79 -21.662 -7.438 -0.274 1.00 0.00 H new ATOM 0 HA THR A 79 -19.075 -8.321 -0.700 1.00 0.00 H new ATOM 0 HB THR A 79 -19.439 -5.361 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 79 -20.955 -5.450 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.605 -5.534 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 79 -17.558 -6.432 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 79 -18.714 -7.308 -2.773 1.00 0.00 H new ATOM 68 N ASP A 80 -17.558 -7.763 1.199 1.00 0.00 N ATOM 69 CA ASP A 80 -16.681 -7.467 2.366 1.00 0.00 C ATOM 70 C ASP A 80 -15.357 -6.886 1.876 1.00 0.00 C ATOM 71 O ASP A 80 -14.684 -6.158 2.578 1.00 0.00 O ATOM 72 CB ASP A 80 -16.414 -8.761 3.129 1.00 0.00 C ATOM 73 CG ASP A 80 -15.448 -9.642 2.330 1.00 0.00 C ATOM 74 OD1 ASP A 80 -15.592 -9.696 1.119 1.00 0.00 O ATOM 75 OD2 ASP A 80 -14.584 -10.245 2.942 1.00 0.00 O ATOM 0 H ASP A 80 -17.206 -8.480 0.564 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.172 -6.746 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.991 -8.536 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.350 -9.293 3.300 1.00 0.00 H new ATOM 80 N SER A 81 -14.978 -7.212 0.673 1.00 0.00 N ATOM 81 CA SER A 81 -13.692 -6.691 0.129 1.00 0.00 C ATOM 82 C SER A 81 -13.847 -5.229 -0.295 1.00 0.00 C ATOM 83 O SER A 81 -12.954 -4.646 -0.874 1.00 0.00 O ATOM 84 CB SER A 81 -13.274 -7.532 -1.078 1.00 0.00 C ATOM 85 OG SER A 81 -13.357 -8.910 -0.739 1.00 0.00 O ATOM 0 H SER A 81 -15.503 -7.817 0.042 1.00 0.00 H new ATOM 0 HA SER A 81 -12.928 -6.753 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.920 -7.315 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.257 -7.280 -1.378 1.00 0.00 H new ATOM 0 HG SER A 81 -13.092 -9.453 -1.510 1.00 0.00 H new ATOM 91 N GLU A 82 -14.964 -4.628 -0.004 1.00 0.00 N ATOM 92 CA GLU A 82 -15.156 -3.202 -0.384 1.00 0.00 C ATOM 93 C GLU A 82 -14.626 -2.315 0.741 1.00 0.00 C ATOM 94 O GLU A 82 -14.126 -1.231 0.516 1.00 0.00 O ATOM 95 CB GLU A 82 -16.645 -2.927 -0.635 1.00 0.00 C ATOM 96 CG GLU A 82 -17.448 -3.112 0.656 1.00 0.00 C ATOM 97 CD GLU A 82 -18.472 -1.983 0.786 1.00 0.00 C ATOM 98 OE1 GLU A 82 -18.429 -1.074 -0.026 1.00 0.00 O ATOM 99 OE2 GLU A 82 -19.281 -2.046 1.696 1.00 0.00 O ATOM 0 H GLU A 82 -15.751 -5.060 0.479 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.609 -2.982 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.776 -1.912 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.021 -3.601 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.954 -4.077 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.779 -3.111 1.516 1.00 0.00 H new ATOM 106 N GLU A 83 -14.717 -2.785 1.948 1.00 0.00 N ATOM 107 CA GLU A 83 -14.208 -2.005 3.103 1.00 0.00 C ATOM 108 C GLU A 83 -12.757 -2.403 3.369 1.00 0.00 C ATOM 109 O GLU A 83 -12.046 -1.751 4.109 1.00 0.00 O ATOM 110 CB GLU A 83 -15.061 -2.302 4.338 1.00 0.00 C ATOM 111 CG GLU A 83 -14.833 -1.214 5.391 1.00 0.00 C ATOM 112 CD GLU A 83 -14.625 -1.864 6.760 1.00 0.00 C ATOM 113 OE1 GLU A 83 -15.013 -3.009 6.915 1.00 0.00 O ATOM 114 OE2 GLU A 83 -14.082 -1.204 7.631 1.00 0.00 O ATOM 0 H GLU A 83 -15.127 -3.688 2.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.261 -0.939 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.115 -2.342 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.801 -3.278 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.963 -0.613 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.688 -0.539 5.423 1.00 0.00 H new ATOM 121 N GLU A 84 -12.316 -3.473 2.767 1.00 0.00 N ATOM 122 CA GLU A 84 -10.914 -3.928 2.971 1.00 0.00 C ATOM 123 C GLU A 84 -9.970 -3.086 2.109 1.00 0.00 C ATOM 124 O GLU A 84 -8.796 -3.374 1.998 1.00 0.00 O ATOM 125 CB GLU A 84 -10.802 -5.395 2.561 1.00 0.00 C ATOM 126 CG GLU A 84 -9.658 -6.058 3.328 1.00 0.00 C ATOM 127 CD GLU A 84 -9.225 -7.328 2.594 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.167 -7.294 1.376 1.00 0.00 O ATOM 129 OE2 GLU A 84 -8.960 -8.313 3.262 1.00 0.00 O ATOM 0 H GLU A 84 -12.871 -4.054 2.139 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.641 -3.815 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.739 -5.913 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.625 -5.470 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.817 -5.370 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.977 -6.301 4.341 1.00 0.00 H new ATOM 136 N ILE A 85 -10.472 -2.052 1.491 1.00 0.00 N ATOM 137 CA ILE A 85 -9.603 -1.205 0.638 1.00 0.00 C ATOM 138 C ILE A 85 -9.555 0.217 1.201 1.00 0.00 C ATOM 139 O ILE A 85 -8.509 0.831 1.264 1.00 0.00 O ATOM 140 CB ILE A 85 -10.161 -1.169 -0.784 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.636 -2.568 -1.180 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.072 -0.700 -1.750 1.00 0.00 C ATOM 143 CD1 ILE A 85 -9.424 -3.454 -1.449 1.00 0.00 C ATOM 0 H ILE A 85 -11.448 -1.760 1.542 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.596 -1.623 0.624 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.002 -0.477 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.245 -2.997 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.265 -2.513 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.471 -0.675 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.739 0.298 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.228 -1.389 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.759 -4.452 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.833 -3.026 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.813 -3.518 -0.549 1.00 0.00 H new ATOM 155 N ARG A 86 -10.674 0.747 1.612 1.00 0.00 N ATOM 156 CA ARG A 86 -10.672 2.130 2.167 1.00 0.00 C ATOM 157 C ARG A 86 -9.896 2.139 3.482 1.00 0.00 C ATOM 158 O ARG A 86 -9.241 3.106 3.821 1.00 0.00 O ATOM 159 CB ARG A 86 -12.111 2.589 2.417 1.00 0.00 C ATOM 160 CG ARG A 86 -12.825 2.783 1.079 1.00 0.00 C ATOM 161 CD ARG A 86 -14.227 2.172 1.153 1.00 0.00 C ATOM 162 NE ARG A 86 -15.201 3.211 1.586 1.00 0.00 N ATOM 163 CZ ARG A 86 -16.374 3.282 1.020 1.00 0.00 C ATOM 164 NH1 ARG A 86 -16.991 2.190 0.660 1.00 0.00 N ATOM 165 NH2 ARG A 86 -16.928 4.445 0.812 1.00 0.00 N ATOM 0 H ARG A 86 -11.584 0.286 1.588 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.200 2.808 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.640 1.851 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.114 3.522 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.892 3.845 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.254 2.313 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.513 1.774 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.235 1.337 1.854 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.951 3.868 2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.556 1.282 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.908 2.245 0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.444 5.298 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.845 4.501 0.369 1.00 0.00 H new ATOM 179 N GLU A 87 -9.957 1.068 4.226 1.00 0.00 N ATOM 180 CA GLU A 87 -9.213 1.020 5.512 1.00 0.00 C ATOM 181 C GLU A 87 -7.879 0.314 5.291 1.00 0.00 C ATOM 182 O GLU A 87 -6.917 0.569 5.982 1.00 0.00 O ATOM 183 CB GLU A 87 -10.034 0.264 6.560 1.00 0.00 C ATOM 184 CG GLU A 87 -10.020 -1.231 6.241 1.00 0.00 C ATOM 185 CD GLU A 87 -11.052 -1.947 7.112 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.532 -1.333 8.051 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.346 -3.096 6.826 1.00 0.00 O ATOM 0 H GLU A 87 -10.489 0.228 3.998 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.035 2.034 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.622 0.438 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.059 0.634 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.245 -1.391 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.027 -1.643 6.422 1.00 0.00 H new ATOM 194 N ALA A 88 -7.799 -0.555 4.320 1.00 0.00 N ATOM 195 CA ALA A 88 -6.507 -1.233 4.059 1.00 0.00 C ATOM 196 C ALA A 88 -5.532 -0.180 3.544 1.00 0.00 C ATOM 197 O ALA A 88 -4.338 -0.266 3.749 1.00 0.00 O ATOM 198 CB ALA A 88 -6.693 -2.326 3.007 1.00 0.00 C ATOM 0 H ALA A 88 -8.567 -0.820 3.704 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.128 -1.697 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.739 -2.819 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.416 -3.058 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.058 -1.881 2.081 1.00 0.00 H new ATOM 204 N PHE A 89 -6.042 0.826 2.885 1.00 0.00 N ATOM 205 CA PHE A 89 -5.161 1.898 2.368 1.00 0.00 C ATOM 206 C PHE A 89 -4.470 2.583 3.535 1.00 0.00 C ATOM 207 O PHE A 89 -3.261 2.665 3.594 1.00 0.00 O ATOM 208 CB PHE A 89 -5.983 2.938 1.612 1.00 0.00 C ATOM 209 CG PHE A 89 -5.063 4.061 1.208 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.162 3.870 0.158 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.101 5.284 1.886 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.297 4.899 -0.221 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.234 6.318 1.509 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.332 6.127 0.453 1.00 0.00 C ATOM 0 H PHE A 89 -7.035 0.947 2.685 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.426 1.456 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.446 2.491 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.790 3.315 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.134 2.924 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.797 5.431 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.601 4.748 -1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.261 7.262 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.666 6.925 0.160 1.00 0.00 H new ATOM 224 N ARG A 90 -5.234 3.082 4.464 1.00 0.00 N ATOM 225 CA ARG A 90 -4.629 3.770 5.631 1.00 0.00 C ATOM 226 C ARG A 90 -3.780 2.777 6.415 1.00 0.00 C ATOM 227 O ARG A 90 -2.762 3.121 6.981 1.00 0.00 O ATOM 228 CB ARG A 90 -5.739 4.309 6.525 1.00 0.00 C ATOM 229 CG ARG A 90 -5.585 5.819 6.645 1.00 0.00 C ATOM 230 CD ARG A 90 -5.381 6.201 8.111 1.00 0.00 C ATOM 231 NE ARG A 90 -6.504 5.664 8.928 1.00 0.00 N ATOM 232 CZ ARG A 90 -6.996 6.374 9.906 1.00 0.00 C ATOM 233 NH1 ARG A 90 -7.688 7.449 9.646 1.00 0.00 N ATOM 234 NH2 ARG A 90 -6.793 6.011 11.143 1.00 0.00 N ATOM 0 H ARG A 90 -6.253 3.042 4.464 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.002 4.594 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.714 4.062 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.688 3.845 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.736 6.156 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.470 6.317 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.433 5.803 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.331 7.285 8.211 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.888 4.742 8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.844 7.734 8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.073 8.005 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.250 5.172 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.178 6.566 11.907 1.00 0.00 H new ATOM 248 N VAL A 91 -4.185 1.541 6.442 1.00 0.00 N ATOM 249 CA VAL A 91 -3.395 0.526 7.177 1.00 0.00 C ATOM 250 C VAL A 91 -1.933 0.682 6.770 1.00 0.00 C ATOM 251 O VAL A 91 -1.028 0.498 7.559 1.00 0.00 O ATOM 252 CB VAL A 91 -3.901 -0.872 6.814 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.867 -1.921 7.220 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.213 -1.142 7.554 1.00 0.00 C ATOM 0 H VAL A 91 -5.028 1.192 5.987 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.497 0.662 8.254 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.065 -0.927 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.234 -2.914 6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.930 -1.731 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.698 -1.868 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.577 -2.137 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.043 -1.083 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.955 -0.398 7.263 1.00 0.00 H new ATOM 264 N PHE A 92 -1.703 1.051 5.541 1.00 0.00 N ATOM 265 CA PHE A 92 -0.310 1.260 5.065 1.00 0.00 C ATOM 266 C PHE A 92 0.040 2.734 5.266 1.00 0.00 C ATOM 267 O PHE A 92 1.176 3.095 5.503 1.00 0.00 O ATOM 268 CB PHE A 92 -0.222 0.915 3.577 1.00 0.00 C ATOM 269 CG PHE A 92 -0.247 -0.584 3.400 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.945 -1.317 3.458 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.462 -1.242 3.178 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.922 -2.707 3.295 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.486 -2.633 3.015 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.295 -3.365 3.074 1.00 0.00 C ATOM 0 H PHE A 92 -2.427 1.218 4.842 1.00 0.00 H new ATOM 0 HA PHE A 92 0.381 0.624 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.054 1.368 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.694 1.326 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.883 -0.809 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.381 -0.677 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.842 -3.272 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.424 -3.141 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.314 -4.438 2.949 1.00 0.00 H new ATOM 284 N ASP A 93 -0.946 3.584 5.173 1.00 0.00 N ATOM 285 CA ASP A 93 -0.718 5.038 5.353 1.00 0.00 C ATOM 286 C ASP A 93 -1.140 5.442 6.769 1.00 0.00 C ATOM 287 O ASP A 93 -2.240 5.908 6.990 1.00 0.00 O ATOM 288 CB ASP A 93 -1.569 5.786 4.331 1.00 0.00 C ATOM 289 CG ASP A 93 -1.043 7.214 4.172 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.400 7.691 5.092 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.290 7.804 3.133 1.00 0.00 O ATOM 0 H ASP A 93 -1.913 3.324 4.977 1.00 0.00 H new ATOM 0 HA ASP A 93 0.335 5.280 5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.542 5.269 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.610 5.805 4.654 1.00 0.00 H new ATOM 296 N LYS A 94 -0.278 5.254 7.729 1.00 0.00 N ATOM 297 CA LYS A 94 -0.629 5.613 9.131 1.00 0.00 C ATOM 298 C LYS A 94 -0.627 7.127 9.304 1.00 0.00 C ATOM 299 O LYS A 94 -1.235 7.658 10.213 1.00 0.00 O ATOM 300 CB LYS A 94 0.396 5.002 10.077 1.00 0.00 C ATOM 301 CG LYS A 94 0.349 3.476 9.973 1.00 0.00 C ATOM 302 CD LYS A 94 -0.364 2.904 11.201 1.00 0.00 C ATOM 303 CE LYS A 94 -0.749 1.448 10.940 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.154 1.386 10.446 1.00 0.00 N ATOM 0 H LYS A 94 0.657 4.866 7.603 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.624 5.229 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.394 5.362 9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.190 5.313 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.174 3.178 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.360 3.074 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.286 2.968 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.255 3.492 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.074 1.008 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.648 0.864 11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.416 0.395 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.792 1.790 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.236 1.929 9.563 1.00 0.00 H new ATOM 318 N ASP A 95 0.045 7.828 8.444 1.00 0.00 N ATOM 319 CA ASP A 95 0.076 9.309 8.568 1.00 0.00 C ATOM 320 C ASP A 95 -1.240 9.882 8.034 1.00 0.00 C ATOM 321 O ASP A 95 -1.449 11.078 8.036 1.00 0.00 O ATOM 322 CB ASP A 95 1.245 9.866 7.751 1.00 0.00 C ATOM 323 CG ASP A 95 2.369 10.296 8.696 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.061 10.730 9.793 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.519 10.184 8.305 1.00 0.00 O ATOM 0 H ASP A 95 0.574 7.443 7.661 1.00 0.00 H new ATOM 0 HA ASP A 95 0.202 9.589 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.609 9.110 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.913 10.715 7.153 1.00 0.00 H new ATOM 330 N GLY A 96 -2.132 9.027 7.591 1.00 0.00 N ATOM 331 CA GLY A 96 -3.446 9.506 7.065 1.00 0.00 C ATOM 332 C GLY A 96 -3.260 10.812 6.288 1.00 0.00 C ATOM 333 O GLY A 96 -3.945 11.787 6.525 1.00 0.00 O ATOM 0 H GLY A 96 -2.004 8.015 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.885 8.748 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.142 9.661 7.890 1.00 0.00 H new ATOM 337 N ASN A 97 -2.337 10.843 5.367 1.00 0.00 N ATOM 338 CA ASN A 97 -2.113 12.094 4.586 1.00 0.00 C ATOM 339 C ASN A 97 -2.637 11.915 3.158 1.00 0.00 C ATOM 340 O ASN A 97 -2.796 12.869 2.422 1.00 0.00 O ATOM 341 CB ASN A 97 -0.614 12.411 4.546 1.00 0.00 C ATOM 342 CG ASN A 97 0.089 11.465 3.572 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.640 11.951 2.492 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 0.134 10.270 3.791 1.00 0.00 N flip ATOM 0 H ASN A 97 -1.730 10.061 5.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.646 12.916 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.460 13.445 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.184 12.307 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.296 9.889 4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.602 9.648 3.132 1.00 0.00 H new ATOM 351 N GLY A 98 -2.906 10.702 2.759 1.00 0.00 N ATOM 352 CA GLY A 98 -3.416 10.469 1.379 1.00 0.00 C ATOM 353 C GLY A 98 -2.361 9.717 0.567 1.00 0.00 C ATOM 354 O GLY A 98 -2.671 9.010 -0.370 1.00 0.00 O ATOM 0 H GLY A 98 -2.795 9.863 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.342 9.894 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.649 11.420 0.900 1.00 0.00 H new ATOM 358 N TYR A 99 -1.115 9.865 0.923 1.00 0.00 N ATOM 359 CA TYR A 99 -0.040 9.163 0.177 1.00 0.00 C ATOM 360 C TYR A 99 0.735 8.257 1.140 1.00 0.00 C ATOM 361 O TYR A 99 0.898 8.565 2.304 1.00 0.00 O ATOM 362 CB TYR A 99 0.915 10.188 -0.431 1.00 0.00 C ATOM 363 CG TYR A 99 0.675 10.314 -1.921 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.593 10.657 -2.415 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.733 10.098 -2.811 1.00 0.00 C ATOM 366 CE1 TYR A 99 -0.795 10.785 -3.795 1.00 0.00 C ATOM 367 CE2 TYR A 99 1.531 10.226 -4.188 1.00 0.00 C ATOM 368 CZ TYR A 99 0.268 10.569 -4.683 1.00 0.00 C ATOM 369 OH TYR A 99 0.069 10.694 -6.043 1.00 0.00 O ATOM 0 H TYR A 99 -0.797 10.444 1.700 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.482 8.563 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.774 11.156 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.946 9.888 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.413 10.822 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.709 9.832 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.770 11.050 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.351 10.060 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 99 0.908 10.512 -6.515 1.00 0.00 H new ATOM 379 N ILE A 100 1.207 7.142 0.660 1.00 0.00 N ATOM 380 CA ILE A 100 1.967 6.209 1.536 1.00 0.00 C ATOM 381 C ILE A 100 3.462 6.329 1.236 1.00 0.00 C ATOM 382 O ILE A 100 3.901 6.099 0.127 1.00 0.00 O ATOM 383 CB ILE A 100 1.511 4.779 1.251 1.00 0.00 C ATOM 384 CG1 ILE A 100 0.065 4.599 1.731 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.424 3.799 1.994 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.542 3.344 1.101 1.00 0.00 C ATOM 0 H ILE A 100 1.099 6.835 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 100 1.786 6.457 2.582 1.00 0.00 H new ATOM 0 HB ILE A 100 1.563 4.584 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.041 4.519 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.528 5.474 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.101 2.777 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.451 3.929 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.370 3.992 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.569 3.223 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.534 3.442 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.043 2.472 1.391 1.00 0.00 H new ATOM 398 N SER A 101 4.253 6.677 2.215 1.00 0.00 N ATOM 399 CA SER A 101 5.719 6.800 1.977 1.00 0.00 C ATOM 400 C SER A 101 6.357 5.411 2.054 1.00 0.00 C ATOM 401 O SER A 101 5.723 4.449 2.440 1.00 0.00 O ATOM 402 CB SER A 101 6.338 7.706 3.042 1.00 0.00 C ATOM 403 OG SER A 101 6.454 6.986 4.263 1.00 0.00 O ATOM 0 H SER A 101 3.948 6.881 3.167 1.00 0.00 H new ATOM 0 HA SER A 101 5.895 7.232 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.319 8.052 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.719 8.592 3.186 1.00 0.00 H new ATOM 0 HG SER A 101 6.852 7.564 4.947 1.00 0.00 H new ATOM 409 N ALA A 102 7.604 5.293 1.691 1.00 0.00 N ATOM 410 CA ALA A 102 8.268 3.960 1.748 1.00 0.00 C ATOM 411 C ALA A 102 8.238 3.437 3.183 1.00 0.00 C ATOM 412 O ALA A 102 7.921 2.292 3.432 1.00 0.00 O ATOM 413 CB ALA A 102 9.719 4.090 1.280 1.00 0.00 C ATOM 0 H ALA A 102 8.190 6.058 1.359 1.00 0.00 H new ATOM 0 HA ALA A 102 7.740 3.263 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.204 3.115 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.739 4.461 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.249 4.787 1.929 1.00 0.00 H new ATOM 419 N ALA A 103 8.567 4.268 4.131 1.00 0.00 N ATOM 420 CA ALA A 103 8.558 3.821 5.548 1.00 0.00 C ATOM 421 C ALA A 103 7.135 3.442 5.953 1.00 0.00 C ATOM 422 O ALA A 103 6.921 2.508 6.699 1.00 0.00 O ATOM 423 CB ALA A 103 9.062 4.952 6.448 1.00 0.00 C ATOM 0 H ALA A 103 8.842 5.239 3.984 1.00 0.00 H new ATOM 0 HA ALA A 103 9.211 2.955 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.054 4.621 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.078 5.221 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.413 5.821 6.339 1.00 0.00 H new ATOM 429 N GLU A 104 6.157 4.152 5.462 1.00 0.00 N ATOM 430 CA GLU A 104 4.752 3.820 5.816 1.00 0.00 C ATOM 431 C GLU A 104 4.354 2.545 5.081 1.00 0.00 C ATOM 432 O GLU A 104 3.428 1.855 5.458 1.00 0.00 O ATOM 433 CB GLU A 104 3.833 4.965 5.391 1.00 0.00 C ATOM 434 CG GLU A 104 4.084 6.180 6.286 1.00 0.00 C ATOM 435 CD GLU A 104 3.832 5.798 7.746 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.969 4.966 7.979 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.504 6.344 8.604 1.00 0.00 O ATOM 0 H GLU A 104 6.271 4.946 4.832 1.00 0.00 H new ATOM 0 HA GLU A 104 4.663 3.673 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.016 5.224 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.791 4.655 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.109 6.531 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.429 7.001 5.995 1.00 0.00 H new ATOM 444 N LEU A 105 5.053 2.229 4.028 1.00 0.00 N ATOM 445 CA LEU A 105 4.730 1.003 3.254 1.00 0.00 C ATOM 446 C LEU A 105 5.469 -0.194 3.859 1.00 0.00 C ATOM 447 O LEU A 105 5.063 -1.327 3.698 1.00 0.00 O ATOM 448 CB LEU A 105 5.170 1.195 1.800 1.00 0.00 C ATOM 449 CG LEU A 105 5.092 -0.141 1.063 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.714 -0.766 1.286 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.312 0.091 -0.433 1.00 0.00 C ATOM 0 H LEU A 105 5.839 2.772 3.669 1.00 0.00 H new ATOM 0 HA LEU A 105 3.656 0.819 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.532 1.930 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.188 1.583 1.765 1.00 0.00 H new ATOM 0 HG LEU A 105 5.861 -0.813 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.657 -1.719 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.557 -0.930 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.944 -0.095 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.257 -0.861 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.543 0.762 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.294 0.537 -0.591 1.00 0.00 H new ATOM 463 N ARG A 106 6.551 0.045 4.554 1.00 0.00 N ATOM 464 CA ARG A 106 7.312 -1.086 5.162 1.00 0.00 C ATOM 465 C ARG A 106 6.675 -1.488 6.497 1.00 0.00 C ATOM 466 O ARG A 106 6.590 -2.654 6.827 1.00 0.00 O ATOM 467 CB ARG A 106 8.762 -0.654 5.402 1.00 0.00 C ATOM 468 CG ARG A 106 9.467 -1.692 6.278 1.00 0.00 C ATOM 469 CD ARG A 106 10.911 -1.253 6.536 1.00 0.00 C ATOM 470 NE ARG A 106 11.691 -2.405 7.070 1.00 0.00 N ATOM 471 CZ ARG A 106 12.363 -2.281 8.183 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.066 -1.204 8.407 1.00 0.00 N ATOM 473 NH2 ARG A 106 12.333 -3.237 9.071 1.00 0.00 N ATOM 0 H ARG A 106 6.939 0.972 4.726 1.00 0.00 H new ATOM 0 HA ARG A 106 7.289 -1.938 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.284 -0.551 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.786 0.322 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.936 -1.805 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.455 -2.665 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.363 -0.890 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.930 -0.426 7.246 1.00 0.00 H new ATOM 0 HE ARG A 106 11.700 -3.292 6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.091 -0.458 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.590 -1.109 9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.785 -4.079 8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.857 -3.142 9.941 1.00 0.00 H new ATOM 487 N HIS A 107 6.239 -0.533 7.268 1.00 0.00 N ATOM 488 CA HIS A 107 5.620 -0.858 8.585 1.00 0.00 C ATOM 489 C HIS A 107 4.544 -1.935 8.418 1.00 0.00 C ATOM 490 O HIS A 107 4.298 -2.718 9.314 1.00 0.00 O ATOM 491 CB HIS A 107 4.981 0.402 9.174 1.00 0.00 C ATOM 492 CG HIS A 107 4.323 0.063 10.483 1.00 0.00 C ATOM 493 ND1 HIS A 107 5.044 -0.386 11.579 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.011 0.096 10.886 1.00 0.00 C ATOM 495 CE1 HIS A 107 4.170 -0.604 12.578 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.917 -0.325 12.209 1.00 0.00 N ATOM 0 H HIS A 107 6.284 0.461 7.044 1.00 0.00 H new ATOM 0 HA HIS A 107 6.396 -1.230 9.254 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.739 1.171 9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.246 0.809 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.178 0.402 10.270 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.448 -0.961 13.559 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.072 -0.404 12.775 1.00 0.00 H new ATOM 504 N VAL A 108 3.892 -1.979 7.290 1.00 0.00 N ATOM 505 CA VAL A 108 2.828 -3.002 7.094 1.00 0.00 C ATOM 506 C VAL A 108 3.282 -4.046 6.074 1.00 0.00 C ATOM 507 O VAL A 108 2.835 -5.176 6.088 1.00 0.00 O ATOM 508 CB VAL A 108 1.555 -2.319 6.594 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.485 -3.375 6.305 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.043 -1.355 7.668 1.00 0.00 C ATOM 0 H VAL A 108 4.049 -1.354 6.499 1.00 0.00 H new ATOM 0 HA VAL A 108 2.631 -3.499 8.044 1.00 0.00 H new ATOM 0 HB VAL A 108 1.773 -1.767 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.422 -2.886 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.850 -4.063 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.264 -3.928 7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.135 -0.866 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.825 -1.910 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.804 -0.602 7.874 1.00 0.00 H new ATOM 520 N MET A 109 4.162 -3.678 5.191 1.00 0.00 N ATOM 521 CA MET A 109 4.639 -4.653 4.170 1.00 0.00 C ATOM 522 C MET A 109 5.335 -5.826 4.864 1.00 0.00 C ATOM 523 O MET A 109 5.578 -6.855 4.266 1.00 0.00 O ATOM 524 CB MET A 109 5.622 -3.964 3.221 1.00 0.00 C ATOM 525 CG MET A 109 4.865 -3.438 2.000 1.00 0.00 C ATOM 526 SD MET A 109 4.728 -4.751 0.763 1.00 0.00 S ATOM 527 CE MET A 109 3.481 -3.957 -0.280 1.00 0.00 C ATOM 0 H MET A 109 4.573 -2.746 5.130 1.00 0.00 H new ATOM 0 HA MET A 109 3.786 -5.024 3.601 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.124 -3.143 3.733 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.396 -4.666 2.909 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.873 -3.096 2.294 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.387 -2.579 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.114 -4.672 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.652 -3.616 0.340 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.925 -3.104 -0.793 1.00 0.00 H new ATOM 537 N THR A 110 5.662 -5.678 6.119 1.00 0.00 N ATOM 538 CA THR A 110 6.341 -6.773 6.849 1.00 0.00 C ATOM 539 C THR A 110 5.304 -7.783 7.342 1.00 0.00 C ATOM 540 O THR A 110 5.552 -8.972 7.382 1.00 0.00 O ATOM 541 CB THR A 110 7.073 -6.170 8.044 1.00 0.00 C ATOM 542 OG1 THR A 110 7.023 -4.752 7.961 1.00 0.00 O ATOM 543 CG2 THR A 110 8.525 -6.628 8.031 1.00 0.00 C ATOM 0 H THR A 110 5.484 -4.838 6.669 1.00 0.00 H new ATOM 0 HA THR A 110 7.046 -7.282 6.191 1.00 0.00 H new ATOM 0 HB THR A 110 6.596 -6.498 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.306 -4.466 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.050 -6.198 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.564 -7.716 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.002 -6.299 7.108 1.00 0.00 H new ATOM 551 N ASN A 111 4.144 -7.319 7.721 1.00 0.00 N ATOM 552 CA ASN A 111 3.092 -8.253 8.212 1.00 0.00 C ATOM 553 C ASN A 111 3.038 -9.481 7.303 1.00 0.00 C ATOM 554 O ASN A 111 3.230 -10.598 7.739 1.00 0.00 O ATOM 555 CB ASN A 111 1.736 -7.546 8.195 1.00 0.00 C ATOM 556 CG ASN A 111 1.714 -6.452 9.264 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.269 -5.388 9.073 1.00 0.00 O ATOM 558 ND2 ASN A 111 1.091 -6.670 10.390 1.00 0.00 N ATOM 0 H ASN A 111 3.880 -6.334 7.712 1.00 0.00 H new ATOM 0 HA ASN A 111 3.327 -8.564 9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.553 -7.112 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.938 -8.265 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.070 -5.947 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.625 -7.563 10.550 1.00 0.00 H new ATOM 565 N LEU A 112 2.782 -9.279 6.040 1.00 0.00 N ATOM 566 CA LEU A 112 2.719 -10.429 5.099 1.00 0.00 C ATOM 567 C LEU A 112 3.286 -10.000 3.744 1.00 0.00 C ATOM 568 O LEU A 112 3.072 -10.646 2.737 1.00 0.00 O ATOM 569 CB LEU A 112 1.265 -10.872 4.928 1.00 0.00 C ATOM 570 CG LEU A 112 0.345 -9.653 5.013 1.00 0.00 C ATOM 571 CD1 LEU A 112 0.552 -8.768 3.781 1.00 0.00 C ATOM 572 CD2 LEU A 112 -1.112 -10.116 5.065 1.00 0.00 C ATOM 0 H LEU A 112 2.614 -8.365 5.620 1.00 0.00 H new ATOM 0 HA LEU A 112 3.303 -11.259 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.137 -11.371 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.001 -11.594 5.700 1.00 0.00 H new ATOM 0 HG LEU A 112 0.580 -9.085 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.104 -7.900 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.590 -8.437 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.318 -9.337 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.768 -9.247 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.345 -10.685 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.262 -10.746 5.942 1.00 0.00 H new ATOM 584 N GLY A 113 4.007 -8.912 3.710 1.00 0.00 N ATOM 585 CA GLY A 113 4.587 -8.440 2.422 1.00 0.00 C ATOM 586 C GLY A 113 6.022 -8.954 2.281 1.00 0.00 C ATOM 587 O GLY A 113 6.860 -8.320 1.670 1.00 0.00 O ATOM 0 H GLY A 113 4.219 -8.330 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.981 -8.794 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.576 -7.351 2.385 1.00 0.00 H new ATOM 591 N GLU A 114 6.312 -10.099 2.835 1.00 0.00 N ATOM 592 CA GLU A 114 7.693 -10.653 2.726 1.00 0.00 C ATOM 593 C GLU A 114 8.650 -9.827 3.589 1.00 0.00 C ATOM 594 O GLU A 114 8.316 -8.752 4.047 1.00 0.00 O ATOM 595 CB GLU A 114 8.150 -10.600 1.265 1.00 0.00 C ATOM 596 CG GLU A 114 7.014 -11.072 0.353 1.00 0.00 C ATOM 597 CD GLU A 114 6.939 -12.600 0.374 1.00 0.00 C ATOM 598 OE1 GLU A 114 7.949 -13.219 0.665 1.00 0.00 O ATOM 599 OE2 GLU A 114 5.873 -13.125 0.097 1.00 0.00 O ATOM 0 H GLU A 114 5.653 -10.676 3.359 1.00 0.00 H new ATOM 0 HA GLU A 114 7.695 -11.686 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.443 -9.584 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.028 -11.231 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.067 -10.647 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.181 -10.720 -0.665 1.00 0.00 H new ATOM 606 N LYS A 115 9.840 -10.319 3.812 1.00 0.00 N ATOM 607 CA LYS A 115 10.819 -9.560 4.644 1.00 0.00 C ATOM 608 C LYS A 115 11.656 -8.654 3.742 1.00 0.00 C ATOM 609 O LYS A 115 12.816 -8.913 3.485 1.00 0.00 O ATOM 610 CB LYS A 115 11.735 -10.539 5.381 1.00 0.00 C ATOM 611 CG LYS A 115 11.077 -10.955 6.697 1.00 0.00 C ATOM 612 CD LYS A 115 11.146 -12.476 6.844 1.00 0.00 C ATOM 613 CE LYS A 115 10.984 -12.853 8.318 1.00 0.00 C ATOM 614 NZ LYS A 115 9.546 -12.773 8.698 1.00 0.00 N ATOM 0 H LYS A 115 10.176 -11.213 3.454 1.00 0.00 H new ATOM 0 HA LYS A 115 10.283 -8.952 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.922 -11.416 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.702 -10.074 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.581 -10.475 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.039 -10.624 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.363 -12.946 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.099 -12.846 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.361 -13.861 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.574 -12.182 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.437 -13.029 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.201 -11.803 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.995 -13.430 8.110 1.00 0.00 H new ATOM 628 N LEU A 116 11.073 -7.596 3.255 1.00 0.00 N ATOM 629 CA LEU A 116 11.819 -6.668 2.364 1.00 0.00 C ATOM 630 C LEU A 116 12.334 -5.476 3.179 1.00 0.00 C ATOM 631 O LEU A 116 11.773 -5.120 4.197 1.00 0.00 O ATOM 632 CB LEU A 116 10.875 -6.180 1.266 1.00 0.00 C ATOM 633 CG LEU A 116 9.748 -5.355 1.891 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.700 -3.974 1.237 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.410 -6.069 1.675 1.00 0.00 C ATOM 0 H LEU A 116 10.105 -7.333 3.438 1.00 0.00 H new ATOM 0 HA LEU A 116 12.670 -7.182 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.423 -5.577 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.460 -7.030 0.724 1.00 0.00 H new ATOM 0 HG LEU A 116 9.932 -5.244 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.897 -3.388 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.651 -3.464 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.518 -4.084 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.608 -5.481 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.227 -6.183 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.442 -7.052 2.144 1.00 0.00 H new ATOM 647 N THR A 117 13.403 -4.860 2.745 1.00 0.00 N ATOM 648 CA THR A 117 13.955 -3.699 3.504 1.00 0.00 C ATOM 649 C THR A 117 13.536 -2.391 2.827 1.00 0.00 C ATOM 650 O THR A 117 12.491 -2.305 2.216 1.00 0.00 O ATOM 651 CB THR A 117 15.482 -3.788 3.529 1.00 0.00 C ATOM 652 OG1 THR A 117 16.008 -3.188 2.353 1.00 0.00 O ATOM 653 CG2 THR A 117 15.908 -5.255 3.589 1.00 0.00 C ATOM 0 H THR A 117 13.916 -5.110 1.900 1.00 0.00 H new ATOM 0 HA THR A 117 13.568 -3.719 4.523 1.00 0.00 H new ATOM 0 HB THR A 117 15.863 -3.265 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.921 -3.509 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.996 -5.317 3.607 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.503 -5.715 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.529 -5.780 2.712 1.00 0.00 H new ATOM 661 N ASP A 118 14.344 -1.370 2.938 1.00 0.00 N ATOM 662 CA ASP A 118 13.994 -0.066 2.305 1.00 0.00 C ATOM 663 C ASP A 118 14.275 -0.126 0.801 1.00 0.00 C ATOM 664 O ASP A 118 13.413 0.150 -0.009 1.00 0.00 O ATOM 665 CB ASP A 118 14.829 1.047 2.936 1.00 0.00 C ATOM 666 CG ASP A 118 14.074 1.640 4.127 1.00 0.00 C ATOM 667 OD1 ASP A 118 12.903 1.945 3.968 1.00 0.00 O ATOM 668 OD2 ASP A 118 14.680 1.780 5.176 1.00 0.00 O ATOM 0 H ASP A 118 15.232 -1.383 3.440 1.00 0.00 H new ATOM 0 HA ASP A 118 12.935 0.137 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.792 0.653 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.035 1.824 2.199 1.00 0.00 H new ATOM 673 N GLU A 119 15.472 -0.483 0.419 1.00 0.00 N ATOM 674 CA GLU A 119 15.795 -0.560 -1.036 1.00 0.00 C ATOM 675 C GLU A 119 14.708 -1.355 -1.747 1.00 0.00 C ATOM 676 O GLU A 119 14.303 -1.047 -2.849 1.00 0.00 O ATOM 677 CB GLU A 119 17.139 -1.260 -1.226 1.00 0.00 C ATOM 678 CG GLU A 119 17.172 -2.545 -0.397 1.00 0.00 C ATOM 679 CD GLU A 119 18.532 -3.223 -0.564 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.129 -3.058 -1.616 1.00 0.00 O ATOM 681 OE2 GLU A 119 18.956 -3.895 0.362 1.00 0.00 O ATOM 0 H GLU A 119 16.238 -0.724 1.048 1.00 0.00 H new ATOM 0 HA GLU A 119 15.849 0.446 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.294 -1.491 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.951 -0.599 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.994 -2.317 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.376 -3.218 -0.717 1.00 0.00 H new ATOM 688 N GLU A 120 14.236 -2.374 -1.104 1.00 0.00 N ATOM 689 CA GLU A 120 13.166 -3.217 -1.693 1.00 0.00 C ATOM 690 C GLU A 120 11.862 -2.433 -1.688 1.00 0.00 C ATOM 691 O GLU A 120 11.143 -2.394 -2.662 1.00 0.00 O ATOM 692 CB GLU A 120 12.991 -4.457 -0.827 1.00 0.00 C ATOM 693 CG GLU A 120 14.356 -5.028 -0.465 1.00 0.00 C ATOM 694 CD GLU A 120 15.154 -5.302 -1.741 1.00 0.00 C ATOM 695 OE1 GLU A 120 15.604 -4.347 -2.352 1.00 0.00 O ATOM 696 OE2 GLU A 120 15.303 -6.463 -2.086 1.00 0.00 O ATOM 0 H GLU A 120 14.550 -2.666 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 120 13.430 -3.500 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.440 -4.205 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.403 -5.204 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.897 -4.327 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.236 -5.949 0.106 1.00 0.00 H new ATOM 703 N VAL A 121 11.559 -1.819 -0.579 1.00 0.00 N ATOM 704 CA VAL A 121 10.296 -1.027 -0.464 1.00 0.00 C ATOM 705 C VAL A 121 10.010 -0.296 -1.782 1.00 0.00 C ATOM 706 O VAL A 121 8.928 -0.385 -2.327 1.00 0.00 O ATOM 707 CB VAL A 121 10.441 -0.003 0.673 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.367 1.081 0.545 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.278 -0.713 2.017 1.00 0.00 C ATOM 0 H VAL A 121 12.136 -1.830 0.262 1.00 0.00 H new ATOM 0 HA VAL A 121 9.468 -1.702 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 121 11.426 0.459 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.479 1.801 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.477 1.591 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.379 0.623 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.380 0.011 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.292 -1.176 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.045 -1.481 2.118 1.00 0.00 H new ATOM 719 N ASP A 122 10.965 0.431 -2.294 1.00 0.00 N ATOM 720 CA ASP A 122 10.738 1.169 -3.568 1.00 0.00 C ATOM 721 C ASP A 122 10.255 0.201 -4.650 1.00 0.00 C ATOM 722 O ASP A 122 9.309 0.476 -5.357 1.00 0.00 O ATOM 723 CB ASP A 122 12.043 1.829 -4.018 1.00 0.00 C ATOM 724 CG ASP A 122 11.854 2.435 -5.410 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.736 2.412 -5.899 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.830 2.913 -5.964 1.00 0.00 O ATOM 0 H ASP A 122 11.892 0.546 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 122 9.980 1.935 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.335 2.604 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.848 1.094 -4.036 1.00 0.00 H new ATOM 731 N GLU A 123 10.898 -0.924 -4.792 1.00 0.00 N ATOM 732 CA GLU A 123 10.470 -1.900 -5.836 1.00 0.00 C ATOM 733 C GLU A 123 9.053 -2.399 -5.529 1.00 0.00 C ATOM 734 O GLU A 123 8.288 -2.697 -6.423 1.00 0.00 O ATOM 735 CB GLU A 123 11.438 -3.084 -5.854 1.00 0.00 C ATOM 736 CG GLU A 123 12.150 -3.142 -7.207 1.00 0.00 C ATOM 737 CD GLU A 123 12.598 -4.577 -7.487 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.331 -5.118 -6.675 1.00 0.00 O ATOM 739 OE2 GLU A 123 12.201 -5.111 -8.510 1.00 0.00 O ATOM 0 H GLU A 123 11.701 -1.211 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 123 10.475 -1.411 -6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.168 -2.982 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.896 -4.013 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.482 -2.798 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.012 -2.475 -7.205 1.00 0.00 H new ATOM 746 N MET A 124 8.689 -2.485 -4.277 1.00 0.00 N ATOM 747 CA MET A 124 7.317 -2.952 -3.937 1.00 0.00 C ATOM 748 C MET A 124 6.333 -1.838 -4.281 1.00 0.00 C ATOM 749 O MET A 124 5.175 -2.072 -4.564 1.00 0.00 O ATOM 750 CB MET A 124 7.237 -3.277 -2.446 1.00 0.00 C ATOM 751 CG MET A 124 8.279 -4.342 -2.092 1.00 0.00 C ATOM 752 SD MET A 124 8.176 -5.716 -3.268 1.00 0.00 S ATOM 753 CE MET A 124 9.547 -6.690 -2.601 1.00 0.00 C ATOM 0 H MET A 124 9.281 -2.253 -3.479 1.00 0.00 H new ATOM 0 HA MET A 124 7.074 -3.852 -4.502 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.410 -2.376 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.238 -3.634 -2.195 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.278 -3.907 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.111 -4.706 -1.078 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.665 -7.601 -3.187 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.466 -6.106 -2.650 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.337 -6.951 -1.564 1.00 0.00 H new ATOM 763 N ILE A 125 6.802 -0.622 -4.268 1.00 0.00 N ATOM 764 CA ILE A 125 5.934 0.529 -4.604 1.00 0.00 C ATOM 765 C ILE A 125 5.741 0.574 -6.117 1.00 0.00 C ATOM 766 O ILE A 125 4.686 0.902 -6.617 1.00 0.00 O ATOM 767 CB ILE A 125 6.621 1.814 -4.150 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.597 1.892 -2.620 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.885 3.020 -4.738 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.957 3.310 -2.169 1.00 0.00 C ATOM 0 H ILE A 125 7.765 -0.378 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 125 4.968 0.429 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 125 7.655 1.817 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.609 1.622 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.303 1.176 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.375 3.938 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.904 2.963 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.851 3.019 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.939 3.361 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.955 3.564 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.234 4.016 -2.578 1.00 0.00 H new ATOM 782 N ARG A 126 6.772 0.248 -6.841 1.00 0.00 N ATOM 783 CA ARG A 126 6.701 0.264 -8.329 1.00 0.00 C ATOM 784 C ARG A 126 5.567 -0.651 -8.816 1.00 0.00 C ATOM 785 O ARG A 126 5.166 -0.595 -9.963 1.00 0.00 O ATOM 786 CB ARG A 126 8.049 -0.214 -8.897 1.00 0.00 C ATOM 787 CG ARG A 126 8.085 -1.744 -8.958 1.00 0.00 C ATOM 788 CD ARG A 126 7.659 -2.209 -10.351 1.00 0.00 C ATOM 789 NE ARG A 126 8.866 -2.554 -11.151 1.00 0.00 N ATOM 790 CZ ARG A 126 8.904 -3.671 -11.824 1.00 0.00 C ATOM 791 NH1 ARG A 126 9.151 -4.796 -11.208 1.00 0.00 N ATOM 792 NH2 ARG A 126 8.693 -3.665 -13.112 1.00 0.00 N ATOM 0 H ARG A 126 7.675 -0.033 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 126 6.496 1.277 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.199 0.201 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.865 0.152 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.089 -2.104 -8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.420 -2.164 -8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.003 -3.076 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.091 -1.424 -10.850 1.00 0.00 H new ATOM 0 HE ARG A 126 9.663 -1.918 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.314 -4.801 -10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.181 -5.670 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.498 -2.787 -13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.723 -4.539 -13.638 1.00 0.00 H new ATOM 806 N GLU A 127 5.048 -1.493 -7.964 1.00 0.00 N ATOM 807 CA GLU A 127 3.946 -2.402 -8.395 1.00 0.00 C ATOM 808 C GLU A 127 2.604 -1.711 -8.166 1.00 0.00 C ATOM 809 O GLU A 127 1.643 -1.943 -8.870 1.00 0.00 O ATOM 810 CB GLU A 127 3.999 -3.694 -7.577 1.00 0.00 C ATOM 811 CG GLU A 127 5.458 -4.087 -7.337 1.00 0.00 C ATOM 812 CD GLU A 127 5.514 -5.459 -6.663 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.130 -6.426 -7.299 1.00 0.00 O ATOM 814 OE2 GLU A 127 5.940 -5.520 -5.521 1.00 0.00 O ATOM 0 H GLU A 127 5.338 -1.591 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 127 4.061 -2.638 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.487 -3.555 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.478 -4.493 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.999 -4.113 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.948 -3.342 -6.710 1.00 0.00 H new ATOM 821 N ALA A 128 2.538 -0.862 -7.180 1.00 0.00 N ATOM 822 CA ALA A 128 1.268 -0.145 -6.886 1.00 0.00 C ATOM 823 C ALA A 128 1.357 1.292 -7.405 1.00 0.00 C ATOM 824 O ALA A 128 0.430 2.067 -7.277 1.00 0.00 O ATOM 825 CB ALA A 128 1.061 -0.120 -5.375 1.00 0.00 C ATOM 0 H ALA A 128 3.315 -0.633 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 128 0.435 -0.653 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.133 0.403 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.006 -1.141 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.896 0.396 -4.902 1.00 0.00 H new ATOM 831 N ASP A 129 2.470 1.655 -7.979 1.00 0.00 N ATOM 832 CA ASP A 129 2.630 3.043 -8.498 1.00 0.00 C ATOM 833 C ASP A 129 2.001 3.158 -9.887 1.00 0.00 C ATOM 834 O ASP A 129 2.058 2.244 -10.685 1.00 0.00 O ATOM 835 CB ASP A 129 4.119 3.385 -8.585 1.00 0.00 C ATOM 836 CG ASP A 129 4.552 4.117 -7.313 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.775 4.138 -6.373 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.652 4.644 -7.302 1.00 0.00 O ATOM 0 H ASP A 129 3.279 1.048 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 129 2.132 3.737 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.705 2.474 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.309 4.009 -9.458 1.00 0.00 H new ATOM 843 N ILE A 130 1.403 4.280 -10.182 1.00 0.00 N ATOM 844 CA ILE A 130 0.770 4.468 -11.513 1.00 0.00 C ATOM 845 C ILE A 130 1.602 5.455 -12.328 1.00 0.00 C ATOM 846 O ILE A 130 1.702 5.359 -13.535 1.00 0.00 O ATOM 847 CB ILE A 130 -0.634 5.026 -11.314 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.444 4.046 -10.470 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.315 5.225 -12.668 1.00 0.00 C ATOM 850 CD1 ILE A 130 -1.341 2.656 -11.086 1.00 0.00 C ATOM 0 H ILE A 130 1.327 5.078 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 130 0.717 3.516 -12.042 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.574 5.989 -10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.070 4.033 -9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.486 4.361 -10.424 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.318 5.624 -12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.733 5.924 -13.268 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.380 4.269 -13.187 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.917 1.950 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.735 2.678 -12.102 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.297 2.345 -11.109 1.00 0.00 H new ATOM 862 N ASP A 131 2.204 6.400 -11.667 1.00 0.00 N ATOM 863 CA ASP A 131 3.041 7.404 -12.382 1.00 0.00 C ATOM 864 C ASP A 131 4.509 6.987 -12.298 1.00 0.00 C ATOM 865 O ASP A 131 5.279 7.209 -13.210 1.00 0.00 O ATOM 866 CB ASP A 131 2.864 8.775 -11.730 1.00 0.00 C ATOM 867 CG ASP A 131 3.226 9.871 -12.734 1.00 0.00 C ATOM 868 OD1 ASP A 131 3.053 9.639 -13.919 1.00 0.00 O ATOM 869 OD2 ASP A 131 3.670 10.921 -12.302 1.00 0.00 O ATOM 0 H ASP A 131 2.153 6.523 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 131 2.734 7.458 -13.426 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.834 8.900 -11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.498 8.853 -10.847 1.00 0.00 H new ATOM 874 N GLY A 132 4.901 6.382 -11.210 1.00 0.00 N ATOM 875 CA GLY A 132 6.321 5.949 -11.072 1.00 0.00 C ATOM 876 C GLY A 132 7.133 7.051 -10.388 1.00 0.00 C ATOM 877 O GLY A 132 8.330 7.158 -10.573 1.00 0.00 O ATOM 0 H GLY A 132 4.301 6.169 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.376 5.029 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.741 5.730 -12.054 1.00 0.00 H new ATOM 881 N ASP A 133 6.495 7.867 -9.595 1.00 0.00 N ATOM 882 CA ASP A 133 7.235 8.956 -8.897 1.00 0.00 C ATOM 883 C ASP A 133 7.942 8.380 -7.678 1.00 0.00 C ATOM 884 O ASP A 133 8.960 8.873 -7.237 1.00 0.00 O ATOM 885 CB ASP A 133 6.257 10.035 -8.444 1.00 0.00 C ATOM 886 CG ASP A 133 5.029 9.378 -7.811 1.00 0.00 C ATOM 887 OD1 ASP A 133 5.052 9.158 -6.612 1.00 0.00 O ATOM 888 OD2 ASP A 133 4.089 9.105 -8.538 1.00 0.00 O ATOM 0 H ASP A 133 5.495 7.827 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 133 7.965 9.391 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.738 10.699 -7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.957 10.649 -9.293 1.00 0.00 H new ATOM 893 N GLY A 134 7.394 7.342 -7.133 1.00 0.00 N ATOM 894 CA GLY A 134 8.005 6.710 -5.931 1.00 0.00 C ATOM 895 C GLY A 134 7.080 6.930 -4.735 1.00 0.00 C ATOM 896 O GLY A 134 7.522 7.096 -3.615 1.00 0.00 O ATOM 0 H GLY A 134 6.540 6.895 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.156 5.644 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.986 7.143 -5.734 1.00 0.00 H new ATOM 900 N GLN A 135 5.797 6.940 -4.968 1.00 0.00 N ATOM 901 CA GLN A 135 4.837 7.158 -3.852 1.00 0.00 C ATOM 902 C GLN A 135 3.496 6.517 -4.205 1.00 0.00 C ATOM 903 O GLN A 135 3.135 6.411 -5.361 1.00 0.00 O ATOM 904 CB GLN A 135 4.642 8.661 -3.644 1.00 0.00 C ATOM 905 CG GLN A 135 4.911 9.013 -2.183 1.00 0.00 C ATOM 906 CD GLN A 135 5.059 10.529 -2.042 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.560 11.310 -2.961 1.00 0.00 O flip ATOM 908 NE2 GLN A 135 5.633 11.008 -1.084 1.00 0.00 N flip ATOM 0 H GLN A 135 5.372 6.806 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 135 5.226 6.708 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 135 5.316 9.219 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.626 8.948 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.094 8.657 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.817 8.515 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.023 10.398 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.725 12.020 -0.998 1.00 0.00 H new ATOM 917 N VAL A 136 2.753 6.086 -3.223 1.00 0.00 N ATOM 918 CA VAL A 136 1.439 5.455 -3.512 1.00 0.00 C ATOM 919 C VAL A 136 0.321 6.352 -2.985 1.00 0.00 C ATOM 920 O VAL A 136 0.554 7.270 -2.229 1.00 0.00 O ATOM 921 CB VAL A 136 1.370 4.098 -2.809 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.020 3.490 -3.001 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.426 3.163 -3.402 1.00 0.00 C ATOM 0 H VAL A 136 3.000 6.144 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 136 1.324 5.320 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 136 1.560 4.231 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.067 2.523 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.770 4.156 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.215 3.356 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.378 2.196 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.237 3.030 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.416 3.596 -3.260 1.00 0.00 H new ATOM 933 N ASN A 137 -0.893 6.091 -3.371 1.00 0.00 N ATOM 934 CA ASN A 137 -2.021 6.917 -2.877 1.00 0.00 C ATOM 935 C ASN A 137 -3.271 6.040 -2.842 1.00 0.00 C ATOM 936 O ASN A 137 -3.190 4.844 -3.025 1.00 0.00 O ATOM 937 CB ASN A 137 -2.204 8.135 -3.787 1.00 0.00 C ATOM 938 CG ASN A 137 -2.865 7.731 -5.103 1.00 0.00 C ATOM 939 OD1 ASN A 137 -3.851 7.033 -5.113 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.355 8.154 -6.228 1.00 0.00 N ATOM 0 H ASN A 137 -1.152 5.339 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.824 7.290 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.815 8.884 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.236 8.595 -3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.789 7.895 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.523 8.743 -6.221 1.00 0.00 H new ATOM 947 N TYR A 138 -4.421 6.590 -2.580 1.00 0.00 N ATOM 948 CA TYR A 138 -5.629 5.731 -2.509 1.00 0.00 C ATOM 949 C TYR A 138 -5.987 5.180 -3.893 1.00 0.00 C ATOM 950 O TYR A 138 -6.235 4.004 -4.048 1.00 0.00 O ATOM 951 CB TYR A 138 -6.795 6.540 -1.959 1.00 0.00 C ATOM 952 CG TYR A 138 -7.981 5.627 -1.815 1.00 0.00 C ATOM 953 CD1 TYR A 138 -7.896 4.535 -0.950 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.149 5.852 -2.550 1.00 0.00 C ATOM 955 CE1 TYR A 138 -8.979 3.661 -0.812 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.238 4.980 -2.413 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.152 3.883 -1.545 1.00 0.00 C ATOM 958 OH TYR A 138 -11.222 3.021 -1.413 1.00 0.00 O ATOM 0 H TYR A 138 -4.575 7.585 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.421 4.890 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.533 6.976 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.032 7.367 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.991 4.364 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.212 6.695 -3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.911 2.817 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.143 5.153 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.956 3.320 -1.990 1.00 0.00 H new ATOM 968 N GLU A 139 -6.038 6.013 -4.892 1.00 0.00 N ATOM 969 CA GLU A 139 -6.400 5.525 -6.255 1.00 0.00 C ATOM 970 C GLU A 139 -5.479 4.376 -6.686 1.00 0.00 C ATOM 971 O GLU A 139 -5.938 3.308 -7.041 1.00 0.00 O ATOM 972 CB GLU A 139 -6.278 6.676 -7.253 1.00 0.00 C ATOM 973 CG GLU A 139 -7.336 7.738 -6.945 1.00 0.00 C ATOM 974 CD GLU A 139 -6.769 8.757 -5.955 1.00 0.00 C ATOM 975 OE1 GLU A 139 -5.706 9.292 -6.228 1.00 0.00 O ATOM 976 OE2 GLU A 139 -7.406 8.986 -4.941 1.00 0.00 O ATOM 0 H GLU A 139 -5.845 7.012 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.426 5.157 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.282 7.114 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.407 6.304 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.640 8.239 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.227 7.268 -6.528 1.00 0.00 H new ATOM 983 N GLU A 140 -4.188 4.581 -6.676 1.00 0.00 N ATOM 984 CA GLU A 140 -3.261 3.492 -7.106 1.00 0.00 C ATOM 985 C GLU A 140 -3.385 2.298 -6.158 1.00 0.00 C ATOM 986 O GLU A 140 -3.396 1.157 -6.578 1.00 0.00 O ATOM 987 CB GLU A 140 -1.817 4.004 -7.079 1.00 0.00 C ATOM 988 CG GLU A 140 -1.756 5.409 -7.681 1.00 0.00 C ATOM 989 CD GLU A 140 -0.298 5.772 -7.974 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.574 5.193 -7.346 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.079 6.624 -8.819 1.00 0.00 O ATOM 0 H GLU A 140 -3.737 5.450 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.524 3.183 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.446 4.021 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.171 3.329 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.344 5.450 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.191 6.132 -6.991 1.00 0.00 H new ATOM 998 N PHE A 141 -3.471 2.551 -4.884 1.00 0.00 N ATOM 999 CA PHE A 141 -3.584 1.438 -3.903 1.00 0.00 C ATOM 1000 C PHE A 141 -4.899 0.686 -4.115 1.00 0.00 C ATOM 1001 O PHE A 141 -5.042 -0.458 -3.733 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.569 2.026 -2.496 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.844 0.938 -1.493 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.163 0.645 -1.123 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.781 0.225 -0.929 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.416 -0.364 -0.187 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.034 -0.782 0.007 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.352 -1.078 0.377 1.00 0.00 C ATOM 0 H PHE A 141 -3.468 3.486 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.751 0.747 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.602 2.486 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.320 2.812 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.983 1.197 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.765 0.452 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.432 -0.592 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.214 -1.331 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.548 -1.858 1.098 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.864 1.328 -4.706 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.181 0.668 -4.926 1.00 0.00 C ATOM 1020 C VAL A 142 -7.096 -0.322 -6.092 1.00 0.00 C ATOM 1021 O VAL A 142 -7.610 -1.419 -6.020 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.228 1.739 -5.240 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.499 1.077 -5.769 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.555 2.519 -3.964 1.00 0.00 C ATOM 0 H VAL A 142 -5.798 2.287 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.462 0.122 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.834 2.419 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.242 1.842 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.268 0.520 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.895 0.395 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.301 3.283 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.948 1.836 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.650 2.995 -3.586 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.470 0.060 -7.171 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.377 -0.858 -8.343 1.00 0.00 C ATOM 1036 C GLN A 143 -5.559 -2.105 -7.988 1.00 0.00 C ATOM 1037 O GLN A 143 -5.800 -3.177 -8.501 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.705 -0.132 -9.507 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.668 0.902 -10.095 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.533 0.913 -11.620 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -6.319 1.951 -12.214 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.649 -0.206 -12.281 1.00 0.00 N ATOM 0 H GLN A 143 -6.019 0.967 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.384 -1.165 -8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.794 0.359 -9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.412 -0.848 -10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.693 0.663 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.448 1.891 -9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.829 -1.077 -11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.560 -0.210 -13.297 1.00 0.00 H new ATOM 1051 N MET A 144 -4.588 -1.977 -7.129 1.00 0.00 N ATOM 1052 CA MET A 144 -3.761 -3.167 -6.775 1.00 0.00 C ATOM 1053 C MET A 144 -4.393 -3.923 -5.602 1.00 0.00 C ATOM 1054 O MET A 144 -4.123 -5.089 -5.392 1.00 0.00 O ATOM 1055 CB MET A 144 -2.352 -2.713 -6.385 1.00 0.00 C ATOM 1056 CG MET A 144 -1.371 -3.065 -7.506 1.00 0.00 C ATOM 1057 SD MET A 144 -1.987 -2.408 -9.077 1.00 0.00 S ATOM 1058 CE MET A 144 -2.322 -3.999 -9.871 1.00 0.00 C ATOM 0 H MET A 144 -4.331 -1.109 -6.659 1.00 0.00 H new ATOM 0 HA MET A 144 -3.710 -3.830 -7.639 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.342 -1.638 -6.204 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.047 -3.196 -5.456 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.387 -2.649 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.252 -4.146 -7.573 1.00 0.00 H new ATOM 0 HE1 MET A 144 -3.312 -3.977 -10.327 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.572 -4.187 -10.639 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.284 -4.793 -9.125 1.00 0.00 H new ATOM 1068 N MET A 145 -5.218 -3.275 -4.824 1.00 0.00 N ATOM 1069 CA MET A 145 -5.837 -3.967 -3.669 1.00 0.00 C ATOM 1070 C MET A 145 -7.255 -4.438 -4.017 1.00 0.00 C ATOM 1071 O MET A 145 -7.887 -5.129 -3.242 1.00 0.00 O ATOM 1072 CB MET A 145 -5.894 -3.013 -2.477 1.00 0.00 C ATOM 1073 CG MET A 145 -5.872 -3.826 -1.181 1.00 0.00 C ATOM 1074 SD MET A 145 -4.158 -4.087 -0.655 1.00 0.00 S ATOM 1075 CE MET A 145 -4.353 -5.795 -0.087 1.00 0.00 C ATOM 0 H MET A 145 -5.487 -2.298 -4.942 1.00 0.00 H new ATOM 0 HA MET A 145 -5.233 -4.839 -3.418 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.048 -2.327 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.798 -2.406 -2.524 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.426 -3.302 -0.402 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.366 -4.785 -1.333 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.399 -6.165 0.287 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.094 -5.831 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.684 -6.419 -0.917 1.00 0.00 H new ATOM 1085 N THR A 146 -7.771 -4.078 -5.163 1.00 0.00 N ATOM 1086 CA THR A 146 -9.153 -4.527 -5.511 1.00 0.00 C ATOM 1087 C THR A 146 -9.344 -4.568 -7.035 1.00 0.00 C ATOM 1088 O THR A 146 -9.780 -5.559 -7.585 1.00 0.00 O ATOM 1089 CB THR A 146 -10.173 -3.576 -4.852 1.00 0.00 C ATOM 1090 OG1 THR A 146 -11.283 -4.330 -4.386 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.669 -2.510 -5.840 1.00 0.00 C ATOM 0 H THR A 146 -7.305 -3.502 -5.864 1.00 0.00 H new ATOM 0 HA THR A 146 -9.311 -5.538 -5.134 1.00 0.00 H new ATOM 0 HB THR A 146 -9.678 -3.070 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 146 -11.933 -3.729 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.386 -1.858 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.824 -1.919 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 146 -11.150 -2.996 -6.689 1.00 0.00 H new ATOM 1099 N ALA A 147 -9.040 -3.500 -7.717 1.00 0.00 N ATOM 1100 CA ALA A 147 -9.228 -3.485 -9.196 1.00 0.00 C ATOM 1101 C ALA A 147 -7.989 -4.048 -9.895 1.00 0.00 C ATOM 1102 O ALA A 147 -7.154 -3.315 -10.385 1.00 0.00 O ATOM 1103 CB ALA A 147 -9.466 -2.048 -9.661 1.00 0.00 C ATOM 0 H ALA A 147 -8.670 -2.638 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 147 -10.088 -4.104 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -9.604 -2.034 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -10.358 -1.652 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -8.606 -1.433 -9.397 1.00 0.00 H new ATOM 1109 N LYS A 148 -7.869 -5.346 -9.956 1.00 0.00 N ATOM 1110 CA LYS A 148 -6.689 -5.951 -10.635 1.00 0.00 C ATOM 1111 C LYS A 148 -6.628 -5.454 -12.079 1.00 0.00 C ATOM 1112 O LYS A 148 -6.093 -4.379 -12.293 1.00 0.00 O ATOM 1113 CB LYS A 148 -6.819 -7.475 -10.626 1.00 0.00 C ATOM 1114 CG LYS A 148 -7.088 -7.956 -9.200 1.00 0.00 C ATOM 1115 CD LYS A 148 -6.083 -7.306 -8.248 1.00 0.00 C ATOM 1116 CE LYS A 148 -6.257 -7.890 -6.844 1.00 0.00 C ATOM 1117 NZ LYS A 148 -7.652 -7.650 -6.376 1.00 0.00 N ATOM 1118 OXT LYS A 148 -7.117 -6.157 -12.949 1.00 0.00 O ATOM 0 H LYS A 148 -8.536 -6.012 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.779 -5.663 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -7.630 -7.785 -11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -5.906 -7.931 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.105 -7.700 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.005 -9.042 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -5.067 -7.479 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.233 -6.227 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -6.044 -8.959 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.547 -7.430 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -7.638 -7.358 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.087 -6.900 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -8.206 -8.525 -6.473 1.00 0.00 H new TER 1132 LYS A 148