USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 592 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 NoAdj-H: A 143 HIS HD1 : A 143 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 142 GLN : amide:sc= -3.35! C(o=-2.5!,f=-9!) USER MOD Set 1.2: A 147 MET CE :methyl 169:sc= -0.572 (180deg=-0.732) USER MOD Set 1.3: A 158 TYR OH : rot -24:sc= 1.44 USER MOD Single : A 109 SER OG : rot 25:sc= 0.128 USER MOD Single : A 113 SER OG : rot 43:sc= 0.161 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-3.6!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 161:sc= -0.392 (180deg=-1.34) USER MOD Single : A 134 CYS SG : rot 32:sc= 0.127 USER MOD Single : A 137 LYS NZ :NH3+ -172:sc=-0.00781 (180deg=-0.0874) USER MOD Single : A 139 SER OG : rot -92:sc= 0.572 USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 153 HIS : no HE2:sc= 0.233 K(o=0.23,f=-0.86) USER MOD Single : A 157 THR OG1 : rot 49:sc= 0.174 USER MOD Single : A 164 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.3) USER MOD Single : A 167 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.018) USER MOD Single : A 170 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.101) USER MOD Single : A 177 GLN : amide:sc= 0.00285 X(o=0.0029,f=-0.39) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0.845 K(o=0.84,f=-0.0039) USER MOD Single : A 184 MET CE :methyl -166:sc= -0.0313 (180deg=-0.296) USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 109 11.584 -4.550 3.026 1.00 0.00 N ATOM 2 CA SER A 109 11.351 -6.001 2.850 1.00 0.00 C ATOM 3 C SER A 109 9.837 -6.306 2.875 1.00 0.00 C ATOM 4 O SER A 109 9.092 -5.687 3.644 1.00 0.00 O ATOM 5 CB SER A 109 12.092 -6.774 3.959 1.00 0.00 C ATOM 6 OG SER A 109 13.474 -6.443 3.971 1.00 0.00 O ATOM 0 HA SER A 109 11.738 -6.320 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.650 -6.541 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.972 -7.846 3.803 1.00 0.00 H new ATOM 0 HG SER A 109 13.601 -5.554 3.578 1.00 0.00 H new ATOM 12 N GLU A 110 9.390 -7.266 2.036 1.00 0.00 N ATOM 13 CA GLU A 110 7.955 -7.620 1.889 1.00 0.00 C ATOM 14 C GLU A 110 7.681 -9.037 2.434 1.00 0.00 C ATOM 15 O GLU A 110 6.782 -9.739 1.961 1.00 0.00 O ATOM 16 CB GLU A 110 7.530 -7.474 0.398 1.00 0.00 C ATOM 17 CG GLU A 110 7.690 -6.044 -0.153 1.00 0.00 C ATOM 18 CD GLU A 110 7.192 -5.889 -1.597 1.00 0.00 C ATOM 19 OE1 GLU A 110 5.975 -5.665 -1.800 1.00 0.00 O ATOM 20 OE2 GLU A 110 8.012 -5.978 -2.535 1.00 0.00 O ATOM 0 H GLU A 110 10.009 -7.818 1.442 1.00 0.00 H new ATOM 0 HA GLU A 110 7.351 -6.933 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.125 -8.157 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.489 -7.780 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.144 -5.352 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.741 -5.760 -0.106 1.00 0.00 H new ATOM 27 N ASP A 111 8.446 -9.410 3.477 1.00 0.00 N ATOM 28 CA ASP A 111 8.279 -10.680 4.235 1.00 0.00 C ATOM 29 C ASP A 111 6.859 -10.810 4.845 1.00 0.00 C ATOM 30 O ASP A 111 6.340 -11.926 5.004 1.00 0.00 O ATOM 31 CB ASP A 111 9.359 -10.766 5.353 1.00 0.00 C ATOM 32 CG ASP A 111 9.348 -9.546 6.297 1.00 0.00 C ATOM 33 OD1 ASP A 111 9.827 -8.466 5.879 1.00 0.00 O ATOM 34 OD2 ASP A 111 8.833 -9.642 7.428 1.00 0.00 O ATOM 0 H ASP A 111 9.211 -8.834 3.828 1.00 0.00 H new ATOM 0 HA ASP A 111 8.406 -11.508 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.198 -11.672 5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.343 -10.854 4.893 1.00 0.00 H new ATOM 39 N GLY A 112 6.258 -9.650 5.195 1.00 0.00 N ATOM 40 CA GLY A 112 4.879 -9.587 5.676 1.00 0.00 C ATOM 41 C GLY A 112 3.886 -9.895 4.559 1.00 0.00 C ATOM 42 O GLY A 112 3.658 -9.053 3.679 1.00 0.00 O ATOM 0 H GLY A 112 6.721 -8.742 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.744 -10.297 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.678 -8.595 6.081 1.00 0.00 H new ATOM 46 N SER A 113 3.337 -11.120 4.578 1.00 0.00 N ATOM 47 CA SER A 113 2.361 -11.600 3.582 1.00 0.00 C ATOM 48 C SER A 113 1.370 -12.566 4.264 1.00 0.00 C ATOM 49 O SER A 113 1.684 -13.742 4.488 1.00 0.00 O ATOM 50 CB SER A 113 3.110 -12.270 2.397 1.00 0.00 C ATOM 51 OG SER A 113 4.055 -13.237 2.843 1.00 0.00 O ATOM 0 H SER A 113 3.559 -11.814 5.292 1.00 0.00 H new ATOM 0 HA SER A 113 1.789 -10.765 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.388 -12.747 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.622 -11.505 1.813 1.00 0.00 H new ATOM 0 HG SER A 113 3.656 -13.780 3.554 1.00 0.00 H new ATOM 57 N TYR A 114 0.183 -12.039 4.622 1.00 0.00 N ATOM 58 CA TYR A 114 -0.818 -12.759 5.427 1.00 0.00 C ATOM 59 C TYR A 114 -2.219 -12.181 5.147 1.00 0.00 C ATOM 60 O TYR A 114 -2.420 -10.971 5.285 1.00 0.00 O ATOM 61 CB TYR A 114 -0.454 -12.624 6.934 1.00 0.00 C ATOM 62 CG TYR A 114 -1.354 -13.418 7.902 1.00 0.00 C ATOM 63 CD1 TYR A 114 -1.356 -14.818 7.897 1.00 0.00 C ATOM 64 CD2 TYR A 114 -2.194 -12.771 8.817 1.00 0.00 C ATOM 65 CE1 TYR A 114 -2.154 -15.530 8.768 1.00 0.00 C ATOM 66 CE2 TYR A 114 -2.989 -13.485 9.687 1.00 0.00 C ATOM 67 CZ TYR A 114 -2.967 -14.860 9.658 1.00 0.00 C ATOM 68 OH TYR A 114 -3.763 -15.569 10.524 1.00 0.00 O ATOM 0 H TYR A 114 -0.108 -11.097 4.359 1.00 0.00 H new ATOM 0 HA TYR A 114 -0.823 -13.816 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 114 0.577 -12.950 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -0.495 -11.570 7.208 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -0.723 -15.348 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -2.219 -11.692 8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -2.142 -16.610 8.753 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -3.626 -12.967 10.388 1.00 0.00 H new ATOM 0 HH TYR A 114 -4.272 -14.947 11.084 1.00 0.00 H new ATOM 78 N GLY A 115 -3.167 -13.046 4.737 1.00 0.00 N ATOM 79 CA GLY A 115 -4.549 -12.618 4.486 1.00 0.00 C ATOM 80 C GLY A 115 -5.404 -13.702 3.836 1.00 0.00 C ATOM 81 O GLY A 115 -6.192 -13.415 2.928 1.00 0.00 O ATOM 0 H GLY A 115 -2.998 -14.039 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.007 -12.319 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.539 -11.738 3.843 1.00 0.00 H new ATOM 85 N THR A 116 -5.244 -14.957 4.304 1.00 0.00 N ATOM 86 CA THR A 116 -6.054 -16.098 3.838 1.00 0.00 C ATOM 87 C THR A 116 -7.479 -16.016 4.422 1.00 0.00 C ATOM 88 O THR A 116 -8.464 -16.247 3.715 1.00 0.00 O ATOM 89 CB THR A 116 -5.390 -17.459 4.239 1.00 0.00 C ATOM 90 OG1 THR A 116 -5.111 -17.469 5.649 1.00 0.00 O ATOM 91 CG2 THR A 116 -4.091 -17.723 3.453 1.00 0.00 C ATOM 0 H THR A 116 -4.553 -15.206 5.012 1.00 0.00 H new ATOM 0 HA THR A 116 -6.110 -16.050 2.751 1.00 0.00 H new ATOM 0 HB THR A 116 -6.095 -18.253 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.698 -18.323 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.665 -18.677 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 116 -4.311 -17.754 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.376 -16.925 3.653 1.00 0.00 H new ATOM 99 N ASP A 117 -7.555 -15.681 5.724 1.00 0.00 N ATOM 100 CA ASP A 117 -8.821 -15.496 6.449 1.00 0.00 C ATOM 101 C ASP A 117 -9.547 -14.253 5.913 1.00 0.00 C ATOM 102 O ASP A 117 -9.157 -13.117 6.208 1.00 0.00 O ATOM 103 CB ASP A 117 -8.567 -15.362 7.980 1.00 0.00 C ATOM 104 CG ASP A 117 -7.982 -16.640 8.600 1.00 0.00 C ATOM 105 OD1 ASP A 117 -8.767 -17.511 9.029 1.00 0.00 O ATOM 106 OD2 ASP A 117 -6.738 -16.777 8.657 1.00 0.00 O ATOM 0 H ASP A 117 -6.730 -15.530 6.305 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.449 -16.372 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.884 -14.531 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.505 -15.118 8.479 1.00 0.00 H new ATOM 111 N VAL A 118 -10.570 -14.491 5.081 1.00 0.00 N ATOM 112 CA VAL A 118 -11.385 -13.432 4.476 1.00 0.00 C ATOM 113 C VAL A 118 -12.853 -13.905 4.399 1.00 0.00 C ATOM 114 O VAL A 118 -13.154 -14.944 3.804 1.00 0.00 O ATOM 115 CB VAL A 118 -10.801 -13.022 3.060 1.00 0.00 C ATOM 116 CG1 VAL A 118 -10.756 -14.212 2.065 1.00 0.00 C ATOM 117 CG2 VAL A 118 -11.542 -11.803 2.457 1.00 0.00 C ATOM 0 H VAL A 118 -10.856 -15.431 4.808 1.00 0.00 H new ATOM 0 HA VAL A 118 -11.354 -12.535 5.094 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.768 -12.721 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.348 -13.874 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.124 -15.002 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.764 -14.597 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.109 -11.557 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.598 -12.044 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.442 -10.949 3.126 1.00 0.00 H new ATOM 127 N THR A 119 -13.760 -13.170 5.063 1.00 0.00 N ATOM 128 CA THR A 119 -15.182 -13.527 5.130 1.00 0.00 C ATOM 129 C THR A 119 -15.909 -13.038 3.875 1.00 0.00 C ATOM 130 O THR A 119 -16.384 -11.897 3.810 1.00 0.00 O ATOM 131 CB THR A 119 -15.859 -12.964 6.425 1.00 0.00 C ATOM 132 OG1 THR A 119 -15.069 -13.354 7.561 1.00 0.00 O ATOM 133 CG2 THR A 119 -17.302 -13.492 6.603 1.00 0.00 C ATOM 0 H THR A 119 -13.527 -12.314 5.566 1.00 0.00 H new ATOM 0 HA THR A 119 -15.255 -14.614 5.176 1.00 0.00 H new ATOM 0 HB THR A 119 -15.914 -11.879 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 119 -15.480 -13.007 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 119 -17.732 -13.075 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 119 -17.907 -13.194 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.285 -14.580 6.674 1.00 0.00 H new ATOM 141 N ARG A 120 -15.931 -13.901 2.848 1.00 0.00 N ATOM 142 CA ARG A 120 -16.640 -13.635 1.594 1.00 0.00 C ATOM 143 C ARG A 120 -17.730 -14.687 1.418 1.00 0.00 C ATOM 144 O ARG A 120 -17.591 -15.655 0.651 1.00 0.00 O ATOM 145 CB ARG A 120 -15.650 -13.598 0.398 1.00 0.00 C ATOM 146 CG ARG A 120 -14.575 -12.493 0.497 1.00 0.00 C ATOM 147 CD ARG A 120 -15.178 -11.077 0.589 1.00 0.00 C ATOM 148 NE ARG A 120 -14.145 -10.029 0.744 1.00 0.00 N ATOM 149 CZ ARG A 120 -13.953 -9.002 -0.100 1.00 0.00 C ATOM 150 NH1 ARG A 120 -14.647 -8.911 -1.227 1.00 0.00 N ATOM 151 NH2 ARG A 120 -13.052 -8.077 0.182 1.00 0.00 N ATOM 0 H ARG A 120 -15.456 -14.803 2.867 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.111 -12.653 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -15.154 -14.566 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -16.216 -13.457 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -13.953 -12.675 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.922 -12.549 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -15.763 -10.876 -0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.865 -11.033 1.434 1.00 0.00 H new ATOM 0 HE ARG A 120 -13.530 -10.091 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.336 -9.626 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.492 -8.126 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.504 -8.144 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.905 -7.296 -0.458 1.00 0.00 H new ATOM 165 N CYS A 121 -18.793 -14.514 2.223 1.00 0.00 N ATOM 166 CA CYS A 121 -20.034 -15.280 2.100 1.00 0.00 C ATOM 167 C CYS A 121 -20.932 -14.609 1.068 1.00 0.00 C ATOM 168 O CYS A 121 -20.912 -13.385 0.928 1.00 0.00 O ATOM 169 CB CYS A 121 -20.752 -15.425 3.462 1.00 0.00 C ATOM 170 SG CYS A 121 -22.169 -16.572 3.441 1.00 0.00 S ATOM 0 H CYS A 121 -18.810 -13.832 2.981 1.00 0.00 H new ATOM 0 HA CYS A 121 -19.795 -16.290 1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -20.032 -15.768 4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -21.099 -14.443 3.784 1.00 0.00 H new ATOM 175 N ILE A 122 -21.740 -15.418 0.372 1.00 0.00 N ATOM 176 CA ILE A 122 -22.556 -14.966 -0.772 1.00 0.00 C ATOM 177 C ILE A 122 -23.751 -14.063 -0.374 1.00 0.00 C ATOM 178 O ILE A 122 -24.447 -13.547 -1.245 1.00 0.00 O ATOM 179 CB ILE A 122 -23.035 -16.174 -1.660 1.00 0.00 C ATOM 180 CG1 ILE A 122 -24.129 -17.073 -0.968 1.00 0.00 C ATOM 181 CG2 ILE A 122 -21.821 -17.014 -2.114 1.00 0.00 C ATOM 182 CD1 ILE A 122 -23.637 -18.029 0.113 1.00 0.00 C ATOM 0 H ILE A 122 -21.850 -16.410 0.584 1.00 0.00 H new ATOM 0 HA ILE A 122 -21.891 -14.341 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 122 -23.524 -15.746 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -24.881 -16.418 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -24.628 -17.658 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -22.164 -17.847 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -21.144 -16.389 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -21.298 -17.399 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -24.481 -18.591 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -22.911 -18.720 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -23.167 -17.460 0.915 1.00 0.00 H new ATOM 194 N CYS A 123 -23.979 -13.870 0.940 1.00 0.00 N ATOM 195 CA CYS A 123 -25.002 -12.920 1.442 1.00 0.00 C ATOM 196 C CYS A 123 -24.400 -11.524 1.705 1.00 0.00 C ATOM 197 O CYS A 123 -25.150 -10.561 1.893 1.00 0.00 O ATOM 198 CB CYS A 123 -25.664 -13.460 2.723 1.00 0.00 C ATOM 199 SG CYS A 123 -24.528 -13.667 4.128 1.00 0.00 S ATOM 0 H CYS A 123 -23.470 -14.358 1.677 1.00 0.00 H new ATOM 0 HA CYS A 123 -25.761 -12.819 0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -26.465 -12.782 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -26.126 -14.422 2.501 1.00 0.00 H new ATOM 204 N GLY A 124 -23.049 -11.431 1.722 1.00 0.00 N ATOM 205 CA GLY A 124 -22.337 -10.169 1.989 1.00 0.00 C ATOM 206 C GLY A 124 -22.536 -9.660 3.416 1.00 0.00 C ATOM 207 O GLY A 124 -22.462 -8.456 3.678 1.00 0.00 O ATOM 0 H GLY A 124 -22.431 -12.224 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.272 -10.314 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -22.681 -9.409 1.287 1.00 0.00 H new ATOM 211 N PHE A 125 -22.789 -10.602 4.333 1.00 0.00 N ATOM 212 CA PHE A 125 -23.079 -10.328 5.750 1.00 0.00 C ATOM 213 C PHE A 125 -22.123 -11.168 6.606 1.00 0.00 C ATOM 214 O PHE A 125 -21.904 -12.348 6.301 1.00 0.00 O ATOM 215 CB PHE A 125 -24.571 -10.690 6.023 1.00 0.00 C ATOM 216 CG PHE A 125 -25.058 -10.516 7.471 1.00 0.00 C ATOM 217 CD1 PHE A 125 -25.047 -9.263 8.086 1.00 0.00 C ATOM 218 CD2 PHE A 125 -25.536 -11.603 8.211 1.00 0.00 C ATOM 219 CE1 PHE A 125 -25.497 -9.105 9.386 1.00 0.00 C ATOM 220 CE2 PHE A 125 -25.986 -11.440 9.509 1.00 0.00 C ATOM 221 CZ PHE A 125 -25.966 -10.191 10.097 1.00 0.00 C ATOM 0 H PHE A 125 -22.799 -11.597 4.108 1.00 0.00 H new ATOM 0 HA PHE A 125 -22.931 -9.277 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -25.197 -10.076 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -24.731 -11.728 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -24.683 -8.405 7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -25.554 -12.585 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -25.481 -8.128 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -26.353 -12.291 10.063 1.00 0.00 H new ATOM 0 HZ PHE A 125 -26.316 -10.064 11.111 1.00 0.00 H new ATOM 231 N THR A 126 -21.549 -10.565 7.659 1.00 0.00 N ATOM 232 CA THR A 126 -20.667 -11.268 8.607 1.00 0.00 C ATOM 233 C THR A 126 -21.523 -11.982 9.663 1.00 0.00 C ATOM 234 O THR A 126 -22.686 -11.609 9.878 1.00 0.00 O ATOM 235 CB THR A 126 -19.652 -10.281 9.285 1.00 0.00 C ATOM 236 OG1 THR A 126 -20.356 -9.182 9.900 1.00 0.00 O ATOM 237 CG2 THR A 126 -18.619 -9.739 8.273 1.00 0.00 C ATOM 0 H THR A 126 -21.682 -9.578 7.878 1.00 0.00 H new ATOM 0 HA THR A 126 -20.081 -12.006 8.059 1.00 0.00 H new ATOM 0 HB THR A 126 -19.113 -10.841 10.050 1.00 0.00 H new ATOM 0 HG1 THR A 126 -19.712 -8.575 10.321 1.00 0.00 H new ATOM 0 HG21 THR A 126 -17.934 -9.060 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 126 -18.056 -10.570 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 126 -19.136 -9.205 7.476 1.00 0.00 H new ATOM 245 N HIS A 127 -20.956 -13.003 10.320 1.00 0.00 N ATOM 246 CA HIS A 127 -21.724 -13.864 11.236 1.00 0.00 C ATOM 247 C HIS A 127 -22.011 -13.163 12.572 1.00 0.00 C ATOM 248 O HIS A 127 -21.288 -12.254 12.995 1.00 0.00 O ATOM 249 CB HIS A 127 -20.984 -15.205 11.488 1.00 0.00 C ATOM 250 CG HIS A 127 -19.814 -15.133 12.435 1.00 0.00 C ATOM 251 ND1 HIS A 127 -18.540 -14.741 12.079 1.00 0.00 N ATOM 252 CD2 HIS A 127 -19.762 -15.398 13.761 1.00 0.00 C ATOM 253 CE1 HIS A 127 -17.776 -14.780 13.174 1.00 0.00 C ATOM 254 NE2 HIS A 127 -18.472 -15.175 14.226 1.00 0.00 N ATOM 0 H HIS A 127 -19.971 -13.254 10.236 1.00 0.00 H new ATOM 0 HA HIS A 127 -22.679 -14.072 10.753 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -21.701 -15.928 11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -20.631 -15.591 10.531 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -18.235 -14.469 11.144 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -20.594 -15.731 14.364 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -16.727 -14.523 13.197 1.00 0.00 H new ATOM 262 N ASP A 128 -23.080 -13.611 13.221 1.00 0.00 N ATOM 263 CA ASP A 128 -23.405 -13.259 14.612 1.00 0.00 C ATOM 264 C ASP A 128 -23.395 -14.551 15.462 1.00 0.00 C ATOM 265 O ASP A 128 -23.280 -14.512 16.687 1.00 0.00 O ATOM 266 CB ASP A 128 -24.796 -12.565 14.652 1.00 0.00 C ATOM 267 CG ASP A 128 -25.189 -12.046 16.053 1.00 0.00 C ATOM 268 OD1 ASP A 128 -24.706 -10.961 16.457 1.00 0.00 O ATOM 269 OD2 ASP A 128 -25.981 -12.712 16.758 1.00 0.00 O ATOM 0 H ASP A 128 -23.761 -14.240 12.795 1.00 0.00 H new ATOM 0 HA ASP A 128 -22.669 -12.566 15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -24.796 -11.730 13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -25.554 -13.269 14.309 1.00 0.00 H new ATOM 274 N ASP A 129 -23.438 -15.695 14.753 1.00 0.00 N ATOM 275 CA ASP A 129 -23.676 -17.032 15.314 1.00 0.00 C ATOM 276 C ASP A 129 -22.372 -17.714 15.784 1.00 0.00 C ATOM 277 O ASP A 129 -22.245 -18.052 16.965 1.00 0.00 O ATOM 278 CB ASP A 129 -24.452 -17.898 14.264 1.00 0.00 C ATOM 279 CG ASP A 129 -23.830 -17.907 12.846 1.00 0.00 C ATOM 280 OD1 ASP A 129 -23.930 -16.878 12.140 1.00 0.00 O ATOM 281 OD2 ASP A 129 -23.254 -18.932 12.431 1.00 0.00 O ATOM 0 H ASP A 129 -23.303 -15.711 13.742 1.00 0.00 H new ATOM 0 HA ASP A 129 -24.288 -16.931 16.210 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -24.507 -18.924 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -25.475 -17.530 14.195 1.00 0.00 H new ATOM 286 N GLY A 130 -21.416 -17.922 14.859 1.00 0.00 N ATOM 287 CA GLY A 130 -20.129 -18.585 15.171 1.00 0.00 C ATOM 288 C GLY A 130 -19.930 -19.877 14.386 1.00 0.00 C ATOM 289 O GLY A 130 -18.816 -20.415 14.326 1.00 0.00 O ATOM 0 H GLY A 130 -21.509 -17.640 13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -19.309 -17.901 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -20.086 -18.802 16.238 1.00 0.00 H new ATOM 293 N TYR A 131 -21.023 -20.371 13.782 1.00 0.00 N ATOM 294 CA TYR A 131 -21.045 -21.611 12.998 1.00 0.00 C ATOM 295 C TYR A 131 -20.751 -21.284 11.538 1.00 0.00 C ATOM 296 O TYR A 131 -21.661 -21.012 10.749 1.00 0.00 O ATOM 297 CB TYR A 131 -22.419 -22.316 13.139 1.00 0.00 C ATOM 298 CG TYR A 131 -22.634 -23.007 14.489 1.00 0.00 C ATOM 299 CD1 TYR A 131 -22.852 -22.273 15.658 1.00 0.00 C ATOM 300 CD2 TYR A 131 -22.614 -24.399 14.591 1.00 0.00 C ATOM 301 CE1 TYR A 131 -23.036 -22.905 16.875 1.00 0.00 C ATOM 302 CE2 TYR A 131 -22.802 -25.027 15.798 1.00 0.00 C ATOM 303 CZ TYR A 131 -23.012 -24.283 16.939 1.00 0.00 C ATOM 304 OH TYR A 131 -23.178 -24.925 18.151 1.00 0.00 O ATOM 0 H TYR A 131 -21.931 -19.909 13.827 1.00 0.00 H new ATOM 0 HA TYR A 131 -20.281 -22.292 13.372 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -23.209 -21.580 12.990 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -22.518 -23.056 12.345 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -22.877 -21.194 15.611 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -22.448 -24.993 13.705 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -23.198 -22.323 17.770 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -22.785 -26.105 15.853 1.00 0.00 H new ATOM 0 HH TYR A 131 -23.135 -25.895 18.016 1.00 0.00 H new ATOM 314 N MET A 132 -19.461 -21.248 11.196 1.00 0.00 N ATOM 315 CA MET A 132 -19.010 -20.930 9.834 1.00 0.00 C ATOM 316 C MET A 132 -18.064 -22.013 9.319 1.00 0.00 C ATOM 317 O MET A 132 -17.451 -22.752 10.100 1.00 0.00 O ATOM 318 CB MET A 132 -18.315 -19.542 9.789 1.00 0.00 C ATOM 319 CG MET A 132 -19.151 -18.379 10.349 1.00 0.00 C ATOM 320 SD MET A 132 -18.462 -16.774 9.915 1.00 0.00 S ATOM 321 CE MET A 132 -18.883 -16.669 8.184 1.00 0.00 C ATOM 0 H MET A 132 -18.701 -21.437 11.850 1.00 0.00 H new ATOM 0 HA MET A 132 -19.887 -20.894 9.187 1.00 0.00 H new ATOM 0 HB2 MET A 132 -17.382 -19.601 10.349 1.00 0.00 H new ATOM 0 HB3 MET A 132 -18.053 -19.317 8.755 1.00 0.00 H new ATOM 0 HG2 MET A 132 -20.170 -18.450 9.968 1.00 0.00 H new ATOM 0 HG3 MET A 132 -19.210 -18.466 11.434 1.00 0.00 H new ATOM 0 HE1 MET A 132 -18.834 -15.629 7.860 1.00 0.00 H new ATOM 0 HE2 MET A 132 -18.180 -17.264 7.602 1.00 0.00 H new ATOM 0 HE3 MET A 132 -19.893 -17.049 8.031 1.00 0.00 H new ATOM 331 N ILE A 133 -17.959 -22.090 7.989 1.00 0.00 N ATOM 332 CA ILE A 133 -17.063 -23.013 7.282 1.00 0.00 C ATOM 333 C ILE A 133 -16.145 -22.199 6.347 1.00 0.00 C ATOM 334 O ILE A 133 -16.615 -21.373 5.544 1.00 0.00 O ATOM 335 CB ILE A 133 -17.847 -24.129 6.462 1.00 0.00 C ATOM 336 CG1 ILE A 133 -18.853 -23.518 5.415 1.00 0.00 C ATOM 337 CG2 ILE A 133 -18.557 -25.134 7.408 1.00 0.00 C ATOM 338 CD1 ILE A 133 -20.172 -23.010 5.934 1.00 0.00 C ATOM 0 H ILE A 133 -18.505 -21.501 7.360 1.00 0.00 H new ATOM 0 HA ILE A 133 -16.471 -23.544 8.028 1.00 0.00 H new ATOM 0 HB ILE A 133 -17.098 -24.677 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -18.351 -22.694 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -19.058 -24.279 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -19.083 -25.882 6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -17.816 -25.625 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -19.271 -24.601 8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -20.762 -22.618 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -20.714 -23.826 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -19.996 -22.217 6.661 1.00 0.00 H new ATOM 350 N CYS A 134 -14.830 -22.384 6.506 1.00 0.00 N ATOM 351 CA CYS A 134 -13.834 -21.836 5.587 1.00 0.00 C ATOM 352 C CYS A 134 -13.696 -22.795 4.390 1.00 0.00 C ATOM 353 O CYS A 134 -13.345 -23.970 4.568 1.00 0.00 O ATOM 354 CB CYS A 134 -12.481 -21.633 6.311 1.00 0.00 C ATOM 355 SG CYS A 134 -11.813 -23.126 7.061 1.00 0.00 S ATOM 0 H CYS A 134 -14.429 -22.919 7.277 1.00 0.00 H new ATOM 0 HA CYS A 134 -14.153 -20.858 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -11.755 -21.242 5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -12.606 -20.876 7.085 1.00 0.00 H new ATOM 0 HG CYS A 134 -12.158 -24.159 6.352 1.00 0.00 H new ATOM 361 N CYS A 135 -14.055 -22.304 3.193 1.00 0.00 N ATOM 362 CA CYS A 135 -13.898 -23.043 1.932 1.00 0.00 C ATOM 363 C CYS A 135 -12.421 -23.349 1.705 1.00 0.00 C ATOM 364 O CYS A 135 -11.659 -22.423 1.492 1.00 0.00 O ATOM 365 CB CYS A 135 -14.466 -22.214 0.769 1.00 0.00 C ATOM 366 SG CYS A 135 -14.457 -23.071 -0.832 1.00 0.00 S ATOM 0 H CYS A 135 -14.465 -21.378 3.073 1.00 0.00 H new ATOM 0 HA CYS A 135 -14.447 -23.983 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -15.490 -21.927 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -13.890 -21.293 0.679 1.00 0.00 H new ATOM 371 N ASP A 136 -12.048 -24.643 1.779 1.00 0.00 N ATOM 372 CA ASP A 136 -10.648 -25.100 1.783 1.00 0.00 C ATOM 373 C ASP A 136 -9.792 -24.448 0.671 1.00 0.00 C ATOM 374 O ASP A 136 -8.737 -23.863 0.953 1.00 0.00 O ATOM 375 CB ASP A 136 -10.615 -26.646 1.667 1.00 0.00 C ATOM 376 CG ASP A 136 -9.193 -27.210 1.493 1.00 0.00 C ATOM 377 OD1 ASP A 136 -8.451 -27.306 2.493 1.00 0.00 O ATOM 378 OD2 ASP A 136 -8.803 -27.541 0.349 1.00 0.00 O ATOM 0 H ASP A 136 -12.721 -25.407 1.838 1.00 0.00 H new ATOM 0 HA ASP A 136 -10.202 -24.786 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.065 -27.081 2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.227 -26.954 0.819 1.00 0.00 H new ATOM 383 N LYS A 137 -10.281 -24.527 -0.580 1.00 0.00 N ATOM 384 CA LYS A 137 -9.498 -24.137 -1.762 1.00 0.00 C ATOM 385 C LYS A 137 -9.305 -22.597 -1.877 1.00 0.00 C ATOM 386 O LYS A 137 -8.165 -22.116 -1.878 1.00 0.00 O ATOM 387 CB LYS A 137 -10.137 -24.737 -3.040 1.00 0.00 C ATOM 388 CG LYS A 137 -9.254 -24.605 -4.305 1.00 0.00 C ATOM 389 CD LYS A 137 -9.800 -25.393 -5.522 1.00 0.00 C ATOM 390 CE LYS A 137 -9.769 -26.923 -5.309 1.00 0.00 C ATOM 391 NZ LYS A 137 -8.394 -27.447 -5.066 1.00 0.00 N ATOM 0 H LYS A 137 -11.221 -24.860 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 137 -8.495 -24.549 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -10.351 -25.792 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -11.092 -24.244 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -9.170 -23.552 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -8.248 -24.957 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -10.825 -25.079 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -9.212 -25.142 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -10.405 -27.180 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -10.191 -27.415 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -8.414 -28.487 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.757 -27.113 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.050 -27.107 -4.145 1.00 0.00 H new ATOM 405 N CYS A 138 -10.413 -21.817 -1.958 1.00 0.00 N ATOM 406 CA CYS A 138 -10.325 -20.336 -2.169 1.00 0.00 C ATOM 407 C CYS A 138 -10.216 -19.559 -0.833 1.00 0.00 C ATOM 408 O CYS A 138 -10.053 -18.331 -0.844 1.00 0.00 O ATOM 409 CB CYS A 138 -11.518 -19.814 -3.015 1.00 0.00 C ATOM 410 SG CYS A 138 -13.137 -19.844 -2.194 1.00 0.00 S ATOM 0 H CYS A 138 -11.365 -22.174 -1.883 1.00 0.00 H new ATOM 0 HA CYS A 138 -9.406 -20.153 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -11.304 -18.789 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -11.582 -20.409 -3.926 1.00 0.00 H new ATOM 415 N SER A 139 -10.311 -20.302 0.299 1.00 0.00 N ATOM 416 CA SER A 139 -10.104 -19.798 1.678 1.00 0.00 C ATOM 417 C SER A 139 -11.029 -18.597 2.017 1.00 0.00 C ATOM 418 O SER A 139 -10.558 -17.502 2.327 1.00 0.00 O ATOM 419 CB SER A 139 -8.599 -19.494 1.923 1.00 0.00 C ATOM 420 OG SER A 139 -8.345 -19.168 3.277 1.00 0.00 O ATOM 0 H SER A 139 -10.540 -21.296 0.275 1.00 0.00 H new ATOM 0 HA SER A 139 -10.396 -20.586 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.002 -20.360 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.286 -18.668 1.285 1.00 0.00 H new ATOM 0 HG SER A 139 -8.405 -18.197 3.397 1.00 0.00 H new ATOM 426 N VAL A 140 -12.362 -18.816 1.934 1.00 0.00 N ATOM 427 CA VAL A 140 -13.375 -17.779 2.266 1.00 0.00 C ATOM 428 C VAL A 140 -14.368 -18.316 3.320 1.00 0.00 C ATOM 429 O VAL A 140 -14.844 -19.455 3.216 1.00 0.00 O ATOM 430 CB VAL A 140 -14.147 -17.250 0.982 1.00 0.00 C ATOM 431 CG1 VAL A 140 -13.176 -16.554 -0.013 1.00 0.00 C ATOM 432 CG2 VAL A 140 -14.947 -18.375 0.272 1.00 0.00 C ATOM 0 H VAL A 140 -12.765 -19.705 1.639 1.00 0.00 H new ATOM 0 HA VAL A 140 -12.839 -16.927 2.684 1.00 0.00 H new ATOM 0 HB VAL A 140 -14.868 -16.511 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -13.734 -16.203 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -12.698 -15.706 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -12.414 -17.264 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.457 -17.964 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.264 -19.163 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.683 -18.789 0.962 1.00 0.00 H new ATOM 442 N TRP A 141 -14.648 -17.487 4.345 1.00 0.00 N ATOM 443 CA TRP A 141 -15.562 -17.824 5.448 1.00 0.00 C ATOM 444 C TRP A 141 -17.021 -17.593 5.022 1.00 0.00 C ATOM 445 O TRP A 141 -17.382 -16.490 4.585 1.00 0.00 O ATOM 446 CB TRP A 141 -15.220 -16.975 6.704 1.00 0.00 C ATOM 447 CG TRP A 141 -13.900 -17.342 7.332 1.00 0.00 C ATOM 448 CD1 TRP A 141 -12.675 -16.764 7.121 1.00 0.00 C ATOM 449 CD2 TRP A 141 -13.687 -18.401 8.266 1.00 0.00 C ATOM 450 NE1 TRP A 141 -11.724 -17.398 7.882 1.00 0.00 N ATOM 451 CE2 TRP A 141 -12.322 -18.407 8.592 1.00 0.00 C ATOM 452 CE3 TRP A 141 -14.531 -19.338 8.859 1.00 0.00 C ATOM 453 CZ2 TRP A 141 -11.777 -19.319 9.487 1.00 0.00 C ATOM 454 CZ3 TRP A 141 -13.994 -20.245 9.749 1.00 0.00 C ATOM 455 CH2 TRP A 141 -12.627 -20.231 10.056 1.00 0.00 C ATOM 0 H TRP A 141 -14.240 -16.556 4.429 1.00 0.00 H new ATOM 0 HA TRP A 141 -15.439 -18.878 5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -15.202 -15.921 6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -16.012 -17.097 7.443 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -12.486 -15.934 6.456 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -10.733 -17.157 7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -15.586 -19.354 8.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -10.724 -19.310 9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -14.637 -20.977 10.216 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -12.235 -20.954 10.756 1.00 0.00 H new ATOM 466 N GLN A 142 -17.847 -18.651 5.144 1.00 0.00 N ATOM 467 CA GLN A 142 -19.262 -18.649 4.727 1.00 0.00 C ATOM 468 C GLN A 142 -20.154 -19.236 5.821 1.00 0.00 C ATOM 469 O GLN A 142 -19.671 -19.907 6.731 1.00 0.00 O ATOM 470 CB GLN A 142 -19.407 -19.435 3.391 1.00 0.00 C ATOM 471 CG GLN A 142 -18.731 -18.719 2.204 1.00 0.00 C ATOM 472 CD GLN A 142 -18.685 -19.529 0.930 1.00 0.00 C ATOM 473 OE1 GLN A 142 -17.709 -20.235 0.696 1.00 0.00 O ATOM 474 NE2 GLN A 142 -19.736 -19.438 0.110 1.00 0.00 N ATOM 0 H GLN A 142 -17.546 -19.542 5.540 1.00 0.00 H new ATOM 0 HA GLN A 142 -19.588 -17.622 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -18.970 -20.427 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -20.465 -19.576 3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -19.261 -17.787 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -17.713 -18.453 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -20.522 -18.835 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -19.752 -19.971 -0.759 1.00 0.00 H new ATOM 483 N HIS A 143 -21.464 -18.946 5.732 1.00 0.00 N ATOM 484 CA HIS A 143 -22.466 -19.455 6.689 1.00 0.00 C ATOM 485 C HIS A 143 -23.002 -20.810 6.216 1.00 0.00 C ATOM 486 O HIS A 143 -23.316 -20.984 5.019 1.00 0.00 O ATOM 487 CB HIS A 143 -23.643 -18.464 6.857 1.00 0.00 C ATOM 488 CG HIS A 143 -23.247 -17.114 7.394 1.00 0.00 C ATOM 489 ND1 HIS A 143 -23.498 -15.964 6.686 1.00 0.00 N ATOM 490 CD2 HIS A 143 -22.640 -16.788 8.560 1.00 0.00 C ATOM 491 CE1 HIS A 143 -23.044 -14.978 7.426 1.00 0.00 C ATOM 492 NE2 HIS A 143 -22.515 -15.428 8.564 1.00 0.00 N ATOM 0 H HIS A 143 -21.858 -18.356 4.999 1.00 0.00 H new ATOM 0 HA HIS A 143 -21.975 -19.570 7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -24.129 -18.329 5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -24.381 -18.906 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -22.318 -17.469 9.334 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -23.093 -13.936 7.148 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -22.095 -14.862 9.301 1.00 0.00 H new ATOM 499 N ILE A 144 -23.123 -21.745 7.171 1.00 0.00 N ATOM 500 CA ILE A 144 -23.598 -23.118 6.929 1.00 0.00 C ATOM 501 C ILE A 144 -25.050 -23.094 6.408 1.00 0.00 C ATOM 502 O ILE A 144 -25.380 -23.738 5.399 1.00 0.00 O ATOM 503 CB ILE A 144 -23.497 -23.966 8.256 1.00 0.00 C ATOM 504 CG1 ILE A 144 -22.057 -23.881 8.867 1.00 0.00 C ATOM 505 CG2 ILE A 144 -23.892 -25.432 8.008 1.00 0.00 C ATOM 506 CD1 ILE A 144 -21.857 -24.637 10.167 1.00 0.00 C ATOM 0 H ILE A 144 -22.890 -21.567 8.148 1.00 0.00 H new ATOM 0 HA ILE A 144 -22.968 -23.584 6.171 1.00 0.00 H new ATOM 0 HB ILE A 144 -24.199 -23.542 8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -21.346 -24.260 8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -21.813 -22.832 9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -23.813 -25.993 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -24.919 -25.476 7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -23.225 -25.868 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -20.828 -24.514 10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -22.537 -24.246 10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -22.062 -25.696 10.008 1.00 0.00 H new ATOM 518 N ASP A 145 -25.876 -22.285 7.094 1.00 0.00 N ATOM 519 CA ASP A 145 -27.306 -22.090 6.779 1.00 0.00 C ATOM 520 C ASP A 145 -27.497 -21.503 5.362 1.00 0.00 C ATOM 521 O ASP A 145 -28.426 -21.894 4.644 1.00 0.00 O ATOM 522 CB ASP A 145 -27.962 -21.165 7.836 1.00 0.00 C ATOM 523 CG ASP A 145 -27.867 -21.734 9.265 1.00 0.00 C ATOM 524 OD1 ASP A 145 -28.770 -22.498 9.678 1.00 0.00 O ATOM 525 OD2 ASP A 145 -26.883 -21.426 9.973 1.00 0.00 O ATOM 0 H ASP A 145 -25.565 -21.738 7.897 1.00 0.00 H new ATOM 0 HA ASP A 145 -27.792 -23.065 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -27.481 -20.187 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -29.010 -21.013 7.579 1.00 0.00 H new ATOM 530 N CYS A 146 -26.587 -20.569 4.974 1.00 0.00 N ATOM 531 CA CYS A 146 -26.600 -19.914 3.637 1.00 0.00 C ATOM 532 C CYS A 146 -26.425 -20.934 2.508 1.00 0.00 C ATOM 533 O CYS A 146 -27.101 -20.854 1.480 1.00 0.00 O ATOM 534 CB CYS A 146 -25.487 -18.845 3.521 1.00 0.00 C ATOM 535 SG CYS A 146 -25.840 -17.298 4.386 1.00 0.00 S ATOM 0 H CYS A 146 -25.828 -20.250 5.576 1.00 0.00 H new ATOM 0 HA CYS A 146 -27.574 -19.434 3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -24.559 -19.261 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -25.319 -18.627 2.466 1.00 0.00 H new ATOM 540 N MET A 147 -25.493 -21.879 2.706 1.00 0.00 N ATOM 541 CA MET A 147 -25.174 -22.903 1.686 1.00 0.00 C ATOM 542 C MET A 147 -26.247 -24.032 1.646 1.00 0.00 C ATOM 543 O MET A 147 -26.205 -24.920 0.783 1.00 0.00 O ATOM 544 CB MET A 147 -23.774 -23.489 2.008 1.00 0.00 C ATOM 545 CG MET A 147 -23.164 -24.361 0.906 1.00 0.00 C ATOM 546 SD MET A 147 -22.695 -23.411 -0.552 1.00 0.00 S ATOM 547 CE MET A 147 -21.791 -24.650 -1.473 1.00 0.00 C ATOM 0 H MET A 147 -24.944 -21.959 3.562 1.00 0.00 H new ATOM 0 HA MET A 147 -25.172 -22.438 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 147 -23.092 -22.665 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 147 -23.847 -24.082 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 147 -22.286 -24.874 1.298 1.00 0.00 H new ATOM 0 HG3 MET A 147 -23.881 -25.130 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 147 -21.601 -24.286 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 147 -20.842 -24.853 -0.976 1.00 0.00 H new ATOM 0 HE3 MET A 147 -22.378 -25.567 -1.522 1.00 0.00 H new ATOM 557 N GLY A 148 -27.224 -23.963 2.573 1.00 0.00 N ATOM 558 CA GLY A 148 -28.273 -24.979 2.692 1.00 0.00 C ATOM 559 C GLY A 148 -27.777 -26.260 3.359 1.00 0.00 C ATOM 560 O GLY A 148 -28.460 -27.288 3.318 1.00 0.00 O ATOM 0 H GLY A 148 -27.302 -23.206 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -29.104 -24.572 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 148 -28.658 -25.216 1.700 1.00 0.00 H new ATOM 564 N ILE A 149 -26.581 -26.187 3.975 1.00 0.00 N ATOM 565 CA ILE A 149 -25.977 -27.298 4.726 1.00 0.00 C ATOM 566 C ILE A 149 -26.509 -27.267 6.168 1.00 0.00 C ATOM 567 O ILE A 149 -26.797 -26.186 6.706 1.00 0.00 O ATOM 568 CB ILE A 149 -24.392 -27.194 4.707 1.00 0.00 C ATOM 569 CG1 ILE A 149 -23.849 -27.277 3.241 1.00 0.00 C ATOM 570 CG2 ILE A 149 -23.722 -28.276 5.601 1.00 0.00 C ATOM 571 CD1 ILE A 149 -22.332 -27.218 3.113 1.00 0.00 C ATOM 0 H ILE A 149 -26.004 -25.346 3.963 1.00 0.00 H new ATOM 0 HA ILE A 149 -26.248 -28.245 4.258 1.00 0.00 H new ATOM 0 HB ILE A 149 -24.129 -26.222 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -24.201 -28.205 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -24.280 -26.459 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -22.639 -28.165 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -24.057 -28.155 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -24.000 -29.267 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -22.053 -27.283 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -21.968 -26.278 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -21.888 -28.051 3.658 1.00 0.00 H new ATOM 583 N ASP A 150 -26.669 -28.454 6.774 1.00 0.00 N ATOM 584 CA ASP A 150 -27.060 -28.582 8.184 1.00 0.00 C ATOM 585 C ASP A 150 -25.864 -28.225 9.084 1.00 0.00 C ATOM 586 O ASP A 150 -24.742 -28.661 8.819 1.00 0.00 O ATOM 587 CB ASP A 150 -27.531 -30.028 8.511 1.00 0.00 C ATOM 588 CG ASP A 150 -28.681 -30.515 7.623 1.00 0.00 C ATOM 589 OD1 ASP A 150 -29.821 -30.057 7.822 1.00 0.00 O ATOM 590 OD2 ASP A 150 -28.454 -31.351 6.718 1.00 0.00 O ATOM 0 H ASP A 150 -26.531 -29.347 6.302 1.00 0.00 H new ATOM 0 HA ASP A 150 -27.889 -27.899 8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -26.687 -30.709 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -27.845 -30.072 9.554 1.00 0.00 H new ATOM 595 N ARG A 151 -26.096 -27.436 10.146 1.00 0.00 N ATOM 596 CA ARG A 151 -25.086 -27.246 11.217 1.00 0.00 C ATOM 597 C ARG A 151 -24.914 -28.557 12.020 1.00 0.00 C ATOM 598 O ARG A 151 -23.952 -28.722 12.769 1.00 0.00 O ATOM 599 CB ARG A 151 -25.469 -26.073 12.152 1.00 0.00 C ATOM 600 CG ARG A 151 -25.628 -24.710 11.435 1.00 0.00 C ATOM 601 CD ARG A 151 -25.755 -23.521 12.402 1.00 0.00 C ATOM 602 NE ARG A 151 -26.921 -23.620 13.296 1.00 0.00 N ATOM 603 CZ ARG A 151 -27.812 -22.650 13.521 1.00 0.00 C ATOM 604 NH1 ARG A 151 -27.840 -21.562 12.772 1.00 0.00 N ATOM 605 NH2 ARG A 151 -28.706 -22.799 14.473 1.00 0.00 N ATOM 0 H ARG A 151 -26.964 -26.921 10.292 1.00 0.00 H new ATOM 0 HA ARG A 151 -24.135 -26.992 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -26.405 -26.316 12.656 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -24.707 -25.977 12.925 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -24.769 -24.548 10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -26.511 -24.745 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -24.849 -23.453 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -25.825 -22.599 11.826 1.00 0.00 H new ATOM 0 HE ARG A 151 -27.060 -24.504 13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -27.174 -21.452 12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -28.527 -20.832 12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -28.716 -23.651 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -29.389 -22.063 14.651 1.00 0.00 H new ATOM 619 N GLN A 152 -25.875 -29.473 11.840 1.00 0.00 N ATOM 620 CA GLN A 152 -25.832 -30.837 12.375 1.00 0.00 C ATOM 621 C GLN A 152 -24.881 -31.723 11.535 1.00 0.00 C ATOM 622 O GLN A 152 -24.169 -32.570 12.079 1.00 0.00 O ATOM 623 CB GLN A 152 -27.276 -31.411 12.352 1.00 0.00 C ATOM 624 CG GLN A 152 -28.305 -30.546 13.116 1.00 0.00 C ATOM 625 CD GLN A 152 -29.759 -30.978 12.902 1.00 0.00 C ATOM 626 OE1 GLN A 152 -30.128 -31.473 11.838 1.00 0.00 O ATOM 627 NE2 GLN A 152 -30.595 -30.792 13.909 1.00 0.00 N ATOM 0 H GLN A 152 -26.722 -29.280 11.306 1.00 0.00 H new ATOM 0 HA GLN A 152 -25.451 -30.824 13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 152 -27.600 -31.513 11.316 1.00 0.00 H new ATOM 0 HB3 GLN A 152 -27.266 -32.412 12.783 1.00 0.00 H new ATOM 0 HG2 GLN A 152 -28.078 -30.585 14.181 1.00 0.00 H new ATOM 0 HG3 GLN A 152 -28.195 -29.507 12.804 1.00 0.00 H new ATOM 0 HE21 GLN A 152 -30.261 -30.379 14.780 1.00 0.00 H new ATOM 0 HE22 GLN A 152 -31.574 -31.061 13.815 1.00 0.00 H new ATOM 636 N HIS A 153 -24.876 -31.494 10.204 1.00 0.00 N ATOM 637 CA HIS A 153 -24.092 -32.295 9.226 1.00 0.00 C ATOM 638 C HIS A 153 -23.117 -31.371 8.465 1.00 0.00 C ATOM 639 O HIS A 153 -23.457 -30.837 7.408 1.00 0.00 O ATOM 640 CB HIS A 153 -25.029 -33.024 8.211 1.00 0.00 C ATOM 641 CG HIS A 153 -26.128 -33.848 8.828 1.00 0.00 C ATOM 642 ND1 HIS A 153 -27.458 -33.737 8.475 1.00 0.00 N ATOM 643 CD2 HIS A 153 -26.082 -34.807 9.791 1.00 0.00 C ATOM 644 CE1 HIS A 153 -28.156 -34.608 9.208 1.00 0.00 C ATOM 645 NE2 HIS A 153 -27.368 -35.282 10.024 1.00 0.00 N ATOM 0 H HIS A 153 -25.417 -30.746 9.771 1.00 0.00 H new ATOM 0 HA HIS A 153 -23.532 -33.052 9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -25.480 -32.277 7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -24.420 -33.673 7.581 1.00 0.00 H new ATOM 0 HD1 HIS A 153 -27.841 -33.100 7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -25.189 -35.146 10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -29.225 -34.743 9.142 1.00 0.00 H new ATOM 653 N ILE A 154 -21.910 -31.182 9.018 1.00 0.00 N ATOM 654 CA ILE A 154 -20.900 -30.241 8.481 1.00 0.00 C ATOM 655 C ILE A 154 -19.779 -31.035 7.771 1.00 0.00 C ATOM 656 O ILE A 154 -19.203 -31.935 8.394 1.00 0.00 O ATOM 657 CB ILE A 154 -20.277 -29.369 9.641 1.00 0.00 C ATOM 658 CG1 ILE A 154 -21.397 -28.642 10.460 1.00 0.00 C ATOM 659 CG2 ILE A 154 -19.239 -28.349 9.089 1.00 0.00 C ATOM 660 CD1 ILE A 154 -20.897 -27.868 11.674 1.00 0.00 C ATOM 0 H ILE A 154 -21.600 -31.677 9.854 1.00 0.00 H new ATOM 0 HA ILE A 154 -21.388 -29.575 7.769 1.00 0.00 H new ATOM 0 HB ILE A 154 -19.750 -30.044 10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -21.923 -27.954 9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -22.124 -29.383 10.793 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -18.829 -27.765 9.913 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -18.433 -28.885 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -19.727 -27.682 8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -21.741 -27.398 12.179 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -20.398 -28.551 12.361 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -20.194 -27.100 11.352 1.00 0.00 H new ATOM 672 N PRO A 155 -19.447 -30.730 6.471 1.00 0.00 N ATOM 673 CA PRO A 155 -18.344 -31.408 5.755 1.00 0.00 C ATOM 674 C PRO A 155 -16.957 -30.906 6.226 1.00 0.00 C ATOM 675 O PRO A 155 -16.823 -29.764 6.691 1.00 0.00 O ATOM 676 CB PRO A 155 -18.617 -31.045 4.273 1.00 0.00 C ATOM 677 CG PRO A 155 -19.244 -29.686 4.344 1.00 0.00 C ATOM 678 CD PRO A 155 -20.107 -29.705 5.600 1.00 0.00 C ATOM 0 HA PRO A 155 -18.317 -32.483 5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -17.697 -31.030 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -19.282 -31.768 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -18.485 -28.905 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -19.845 -29.483 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -20.134 -28.728 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -21.138 -29.977 5.373 1.00 0.00 H new ATOM 686 N ASP A 156 -15.943 -31.776 6.100 1.00 0.00 N ATOM 687 CA ASP A 156 -14.549 -31.472 6.495 1.00 0.00 C ATOM 688 C ASP A 156 -13.913 -30.460 5.519 1.00 0.00 C ATOM 689 O ASP A 156 -13.484 -29.370 5.920 1.00 0.00 O ATOM 690 CB ASP A 156 -13.730 -32.793 6.558 1.00 0.00 C ATOM 691 CG ASP A 156 -12.208 -32.590 6.751 1.00 0.00 C ATOM 692 OD1 ASP A 156 -11.781 -32.169 7.844 1.00 0.00 O ATOM 693 OD2 ASP A 156 -11.435 -32.870 5.809 1.00 0.00 O ATOM 0 H ASP A 156 -16.062 -32.715 5.720 1.00 0.00 H new ATOM 0 HA ASP A 156 -14.546 -31.013 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -14.110 -33.404 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -13.896 -33.354 5.638 1.00 0.00 H new ATOM 698 N THR A 157 -13.870 -30.840 4.234 1.00 0.00 N ATOM 699 CA THR A 157 -13.327 -30.004 3.150 1.00 0.00 C ATOM 700 C THR A 157 -14.484 -29.358 2.379 1.00 0.00 C ATOM 701 O THR A 157 -14.968 -29.894 1.373 1.00 0.00 O ATOM 702 CB THR A 157 -12.399 -30.824 2.191 1.00 0.00 C ATOM 703 OG1 THR A 157 -13.061 -32.033 1.782 1.00 0.00 O ATOM 704 CG2 THR A 157 -11.042 -31.149 2.842 1.00 0.00 C ATOM 0 H THR A 157 -14.214 -31.745 3.913 1.00 0.00 H new ATOM 0 HA THR A 157 -12.708 -29.223 3.592 1.00 0.00 H new ATOM 0 HB THR A 157 -12.199 -30.207 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 157 -13.969 -31.822 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 157 -10.430 -31.718 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 157 -10.531 -30.222 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 157 -11.203 -31.738 3.745 1.00 0.00 H new ATOM 712 N TYR A 158 -14.990 -28.252 2.931 1.00 0.00 N ATOM 713 CA TYR A 158 -16.057 -27.475 2.306 1.00 0.00 C ATOM 714 C TYR A 158 -15.564 -26.782 1.012 1.00 0.00 C ATOM 715 O TYR A 158 -14.490 -26.161 0.983 1.00 0.00 O ATOM 716 CB TYR A 158 -16.612 -26.433 3.315 1.00 0.00 C ATOM 717 CG TYR A 158 -17.581 -25.405 2.697 1.00 0.00 C ATOM 718 CD1 TYR A 158 -18.883 -25.754 2.332 1.00 0.00 C ATOM 719 CD2 TYR A 158 -17.181 -24.088 2.468 1.00 0.00 C ATOM 720 CE1 TYR A 158 -19.731 -24.826 1.767 1.00 0.00 C ATOM 721 CE2 TYR A 158 -18.029 -23.163 1.908 1.00 0.00 C ATOM 722 CZ TYR A 158 -19.297 -23.534 1.556 1.00 0.00 C ATOM 723 OH TYR A 158 -20.137 -22.603 0.991 1.00 0.00 O ATOM 0 H TYR A 158 -14.670 -27.873 3.822 1.00 0.00 H new ATOM 0 HA TYR A 158 -16.860 -28.156 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 158 -17.125 -26.961 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 158 -15.775 -25.900 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 158 -19.230 -26.764 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 158 -16.179 -23.788 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 158 -20.735 -25.110 1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 158 -17.696 -22.148 1.747 1.00 0.00 H new ATOM 0 HH TYR A 158 -20.823 -23.060 0.461 1.00 0.00 H new ATOM 733 N LEU A 159 -16.375 -26.901 -0.043 1.00 0.00 N ATOM 734 CA LEU A 159 -16.248 -26.113 -1.274 1.00 0.00 C ATOM 735 C LEU A 159 -17.499 -25.254 -1.424 1.00 0.00 C ATOM 736 O LEU A 159 -18.609 -25.714 -1.134 1.00 0.00 O ATOM 737 CB LEU A 159 -16.095 -27.015 -2.520 1.00 0.00 C ATOM 738 CG LEU A 159 -14.763 -27.806 -2.646 1.00 0.00 C ATOM 739 CD1 LEU A 159 -14.824 -28.766 -3.857 1.00 0.00 C ATOM 740 CD2 LEU A 159 -13.538 -26.853 -2.741 1.00 0.00 C ATOM 0 H LEU A 159 -17.153 -27.560 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 159 -15.353 -25.495 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -16.918 -27.730 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -16.207 -26.392 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 159 -14.634 -28.400 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -13.885 -29.314 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -15.645 -29.470 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -14.985 -28.191 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.625 -27.442 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -13.642 -26.213 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -13.487 -26.235 -1.844 1.00 0.00 H new ATOM 752 N CYS A 160 -17.319 -24.018 -1.894 1.00 0.00 N ATOM 753 CA CYS A 160 -18.437 -23.099 -2.164 1.00 0.00 C ATOM 754 C CYS A 160 -18.912 -23.270 -3.604 1.00 0.00 C ATOM 755 O CYS A 160 -18.199 -23.842 -4.409 1.00 0.00 O ATOM 756 CB CYS A 160 -18.014 -21.650 -1.915 1.00 0.00 C ATOM 757 SG CYS A 160 -16.752 -20.983 -3.035 1.00 0.00 S ATOM 0 H CYS A 160 -16.401 -23.623 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 160 -19.258 -23.338 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -18.900 -21.018 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -17.642 -21.572 -0.893 1.00 0.00 H new ATOM 762 N GLU A 161 -20.108 -22.756 -3.887 1.00 0.00 N ATOM 763 CA GLU A 161 -20.803 -22.784 -5.205 1.00 0.00 C ATOM 764 C GLU A 161 -19.913 -22.542 -6.442 1.00 0.00 C ATOM 765 O GLU A 161 -20.154 -23.121 -7.503 1.00 0.00 O ATOM 766 CB GLU A 161 -21.981 -21.759 -5.172 1.00 0.00 C ATOM 767 CG GLU A 161 -21.616 -20.261 -5.023 1.00 0.00 C ATOM 768 CD GLU A 161 -20.761 -19.933 -3.777 1.00 0.00 C ATOM 769 OE1 GLU A 161 -21.212 -20.209 -2.643 1.00 0.00 O ATOM 770 OE2 GLU A 161 -19.601 -19.482 -3.927 1.00 0.00 O ATOM 0 H GLU A 161 -20.661 -22.279 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 161 -21.158 -23.807 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -22.556 -21.876 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -22.640 -22.029 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -21.076 -19.941 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -22.536 -19.678 -4.981 1.00 0.00 H new ATOM 777 N ARG A 162 -18.896 -21.690 -6.291 1.00 0.00 N ATOM 778 CA ARG A 162 -17.956 -21.352 -7.372 1.00 0.00 C ATOM 779 C ARG A 162 -16.921 -22.476 -7.543 1.00 0.00 C ATOM 780 O ARG A 162 -16.543 -22.825 -8.659 1.00 0.00 O ATOM 781 CB ARG A 162 -17.280 -19.999 -7.046 1.00 0.00 C ATOM 782 CG ARG A 162 -18.234 -18.780 -7.118 1.00 0.00 C ATOM 783 CD ARG A 162 -17.630 -17.509 -6.486 1.00 0.00 C ATOM 784 NE ARG A 162 -17.622 -17.582 -5.008 1.00 0.00 N ATOM 785 CZ ARG A 162 -17.266 -16.590 -4.178 1.00 0.00 C ATOM 786 NH1 ARG A 162 -16.734 -15.473 -4.647 1.00 0.00 N ATOM 787 NH2 ARG A 162 -17.439 -16.728 -2.868 1.00 0.00 N ATOM 0 H ARG A 162 -18.697 -21.211 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 162 -18.490 -21.254 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -16.850 -20.052 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -16.454 -19.842 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -18.481 -18.579 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -19.167 -19.024 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -16.611 -17.371 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -18.202 -16.638 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 162 -17.912 -18.463 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -16.590 -15.359 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -16.468 -14.726 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -17.842 -17.587 -2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -17.169 -15.975 -2.236 1.00 0.00 H new ATOM 801 N CYS A 163 -16.490 -23.044 -6.403 1.00 0.00 N ATOM 802 CA CYS A 163 -15.555 -24.191 -6.374 1.00 0.00 C ATOM 803 C CYS A 163 -16.291 -25.531 -6.635 1.00 0.00 C ATOM 804 O CYS A 163 -15.650 -26.552 -6.886 1.00 0.00 O ATOM 805 CB CYS A 163 -14.812 -24.272 -5.018 1.00 0.00 C ATOM 806 SG CYS A 163 -13.806 -22.819 -4.571 1.00 0.00 S ATOM 0 H CYS A 163 -16.776 -22.725 -5.477 1.00 0.00 H new ATOM 0 HA CYS A 163 -14.829 -24.027 -7.171 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -15.549 -24.435 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -14.163 -25.148 -5.033 1.00 0.00 H new ATOM 811 N GLN A 164 -17.632 -25.528 -6.533 1.00 0.00 N ATOM 812 CA GLN A 164 -18.463 -26.710 -6.797 1.00 0.00 C ATOM 813 C GLN A 164 -18.950 -26.692 -8.252 1.00 0.00 C ATOM 814 O GLN A 164 -19.282 -25.615 -8.768 1.00 0.00 O ATOM 815 CB GLN A 164 -19.673 -26.763 -5.823 1.00 0.00 C ATOM 816 CG GLN A 164 -19.282 -26.932 -4.339 1.00 0.00 C ATOM 817 CD GLN A 164 -20.408 -27.441 -3.437 1.00 0.00 C ATOM 818 OE1 GLN A 164 -21.586 -27.196 -3.680 1.00 0.00 O ATOM 819 NE2 GLN A 164 -20.045 -28.139 -2.373 1.00 0.00 N ATOM 0 H GLN A 164 -18.168 -24.703 -6.265 1.00 0.00 H new ATOM 0 HA GLN A 164 -17.858 -27.602 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -20.254 -25.847 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -20.323 -27.589 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -18.442 -27.624 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -18.934 -25.972 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -19.058 -28.326 -2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -20.753 -28.490 -1.728 1.00 0.00 H new ATOM 828 N PRO A 165 -18.975 -27.879 -8.956 1.00 0.00 N ATOM 829 CA PRO A 165 -19.589 -28.005 -10.304 1.00 0.00 C ATOM 830 C PRO A 165 -21.085 -27.606 -10.334 1.00 0.00 C ATOM 831 O PRO A 165 -21.623 -27.304 -11.406 1.00 0.00 O ATOM 832 CB PRO A 165 -19.403 -29.508 -10.656 1.00 0.00 C ATOM 833 CG PRO A 165 -18.226 -29.936 -9.834 1.00 0.00 C ATOM 834 CD PRO A 165 -18.347 -29.163 -8.535 1.00 0.00 C ATOM 0 HA PRO A 165 -19.120 -27.329 -11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -20.293 -30.088 -10.409 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -19.217 -29.647 -11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -18.240 -31.011 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -17.288 -29.710 -10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -18.963 -29.692 -7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -17.374 -29.002 -8.071 1.00 0.00 H new ATOM 842 N ARG A 166 -21.744 -27.625 -9.153 1.00 0.00 N ATOM 843 CA ARG A 166 -23.137 -27.188 -8.997 1.00 0.00 C ATOM 844 C ARG A 166 -23.170 -25.693 -8.609 1.00 0.00 C ATOM 845 O ARG A 166 -22.287 -25.210 -7.879 1.00 0.00 O ATOM 846 CB ARG A 166 -23.871 -28.045 -7.919 1.00 0.00 C ATOM 847 CG ARG A 166 -23.293 -27.929 -6.488 1.00 0.00 C ATOM 848 CD ARG A 166 -24.149 -28.634 -5.427 1.00 0.00 C ATOM 849 NE ARG A 166 -24.189 -30.092 -5.611 1.00 0.00 N ATOM 850 CZ ARG A 166 -25.130 -30.898 -5.114 1.00 0.00 C ATOM 851 NH1 ARG A 166 -26.185 -30.396 -4.497 1.00 0.00 N ATOM 852 NH2 ARG A 166 -25.013 -32.203 -5.256 1.00 0.00 N ATOM 0 H ARG A 166 -21.318 -27.946 -8.284 1.00 0.00 H new ATOM 0 HA ARG A 166 -23.656 -27.325 -9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -24.921 -27.752 -7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -23.839 -29.091 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -22.289 -28.352 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -23.198 -26.875 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -23.754 -28.407 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -25.164 -28.239 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 166 -23.442 -30.519 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -26.285 -29.386 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -26.900 -31.019 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -24.206 -32.593 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -25.729 -32.823 -4.878 1.00 0.00 H new ATOM 866 N ASN A 167 -24.170 -24.967 -9.126 1.00 0.00 N ATOM 867 CA ASN A 167 -24.427 -23.571 -8.752 1.00 0.00 C ATOM 868 C ASN A 167 -25.484 -23.550 -7.631 1.00 0.00 C ATOM 869 O ASN A 167 -26.531 -24.202 -7.738 1.00 0.00 O ATOM 870 CB ASN A 167 -24.883 -22.734 -9.990 1.00 0.00 C ATOM 871 CG ASN A 167 -26.189 -23.224 -10.636 1.00 0.00 C ATOM 872 OD1 ASN A 167 -27.280 -22.802 -10.264 1.00 0.00 O ATOM 873 ND2 ASN A 167 -26.089 -24.118 -11.604 1.00 0.00 N ATOM 0 H ASN A 167 -24.825 -25.333 -9.817 1.00 0.00 H new ATOM 0 HA ASN A 167 -23.509 -23.112 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -25.009 -21.695 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -24.091 -22.753 -10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -26.930 -24.473 -12.060 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -25.171 -24.453 -11.896 1.00 0.00 H new ATOM 880 N LEU A 168 -25.177 -22.847 -6.533 1.00 0.00 N ATOM 881 CA LEU A 168 -26.104 -22.676 -5.394 1.00 0.00 C ATOM 882 C LEU A 168 -26.849 -21.348 -5.539 1.00 0.00 C ATOM 883 O LEU A 168 -26.364 -20.411 -6.185 1.00 0.00 O ATOM 884 CB LEU A 168 -25.350 -22.748 -4.022 1.00 0.00 C ATOM 885 CG LEU A 168 -24.865 -24.167 -3.550 1.00 0.00 C ATOM 886 CD1 LEU A 168 -26.045 -25.138 -3.383 1.00 0.00 C ATOM 887 CD2 LEU A 168 -23.788 -24.762 -4.483 1.00 0.00 C ATOM 0 H LEU A 168 -24.280 -22.379 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 168 -26.824 -23.495 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -24.480 -22.094 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -26.006 -22.341 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 168 -24.401 -24.027 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -25.674 -26.109 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -26.737 -24.745 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -26.562 -25.250 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -23.487 -25.742 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -24.194 -24.863 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -22.921 -24.101 -4.506 1.00 0.00 H new ATOM 899 N ASP A 169 -28.039 -21.293 -4.943 1.00 0.00 N ATOM 900 CA ASP A 169 -28.914 -20.119 -4.976 1.00 0.00 C ATOM 901 C ASP A 169 -28.408 -19.032 -4.001 1.00 0.00 C ATOM 902 O ASP A 169 -28.771 -18.999 -2.818 1.00 0.00 O ATOM 903 CB ASP A 169 -30.405 -20.534 -4.719 1.00 0.00 C ATOM 904 CG ASP A 169 -30.667 -21.531 -3.556 1.00 0.00 C ATOM 905 OD1 ASP A 169 -29.755 -21.857 -2.765 1.00 0.00 O ATOM 906 OD2 ASP A 169 -31.814 -22.012 -3.448 1.00 0.00 O ATOM 0 H ASP A 169 -28.429 -22.074 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 169 -28.883 -19.677 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 169 -30.981 -19.629 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 169 -30.798 -20.972 -5.636 1.00 0.00 H new ATOM 911 N LYS A 170 -27.523 -18.166 -4.533 1.00 0.00 N ATOM 912 CA LYS A 170 -26.911 -17.049 -3.794 1.00 0.00 C ATOM 913 C LYS A 170 -27.973 -16.086 -3.248 1.00 0.00 C ATOM 914 O LYS A 170 -27.886 -15.680 -2.091 1.00 0.00 O ATOM 915 CB LYS A 170 -25.906 -16.284 -4.704 1.00 0.00 C ATOM 916 CG LYS A 170 -25.373 -14.948 -4.121 1.00 0.00 C ATOM 917 CD LYS A 170 -24.163 -14.361 -4.898 1.00 0.00 C ATOM 918 CE LYS A 170 -24.507 -13.995 -6.345 1.00 0.00 C ATOM 919 NZ LYS A 170 -25.588 -12.989 -6.423 1.00 0.00 N ATOM 0 H LYS A 170 -27.210 -18.225 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 170 -26.373 -17.469 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -25.057 -16.936 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -26.389 -16.078 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -26.181 -14.216 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -25.083 -15.106 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -23.801 -13.473 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -23.349 -15.086 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -23.617 -13.609 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -24.809 -14.893 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -25.684 -12.658 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -26.483 -13.417 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -25.357 -12.183 -5.807 1.00 0.00 H new ATOM 933 N GLU A 171 -28.974 -15.746 -4.088 1.00 0.00 N ATOM 934 CA GLU A 171 -30.020 -14.771 -3.730 1.00 0.00 C ATOM 935 C GLU A 171 -30.852 -15.276 -2.548 1.00 0.00 C ATOM 936 O GLU A 171 -31.181 -14.502 -1.667 1.00 0.00 O ATOM 937 CB GLU A 171 -30.934 -14.450 -4.938 1.00 0.00 C ATOM 938 CG GLU A 171 -31.986 -13.344 -4.672 1.00 0.00 C ATOM 939 CD GLU A 171 -32.855 -13.030 -5.898 1.00 0.00 C ATOM 940 OE1 GLU A 171 -32.459 -12.175 -6.718 1.00 0.00 O ATOM 941 OE2 GLU A 171 -33.921 -13.663 -6.066 1.00 0.00 O ATOM 0 H GLU A 171 -29.077 -16.137 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 171 -29.521 -13.848 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 171 -30.310 -14.146 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 171 -31.451 -15.361 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 171 -32.629 -13.654 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 171 -31.476 -12.435 -4.354 1.00 0.00 H new ATOM 948 N ARG A 172 -31.150 -16.589 -2.528 1.00 0.00 N ATOM 949 CA ARG A 172 -31.893 -17.232 -1.416 1.00 0.00 C ATOM 950 C ARG A 172 -31.103 -17.091 -0.091 1.00 0.00 C ATOM 951 O ARG A 172 -31.679 -16.843 0.972 1.00 0.00 O ATOM 952 CB ARG A 172 -32.146 -18.731 -1.743 1.00 0.00 C ATOM 953 CG ARG A 172 -33.034 -19.494 -0.726 1.00 0.00 C ATOM 954 CD ARG A 172 -34.499 -19.010 -0.728 1.00 0.00 C ATOM 955 NE ARG A 172 -35.320 -19.700 0.291 1.00 0.00 N ATOM 956 CZ ARG A 172 -36.011 -20.837 0.100 1.00 0.00 C ATOM 957 NH1 ARG A 172 -35.969 -21.475 -1.063 1.00 0.00 N ATOM 958 NH2 ARG A 172 -36.752 -21.329 1.080 1.00 0.00 N ATOM 0 H ARG A 172 -30.887 -17.234 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 172 -32.855 -16.733 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -32.611 -18.797 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -31.183 -19.238 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -33.008 -20.559 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -32.618 -19.374 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -34.525 -17.936 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -34.933 -19.176 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 172 -35.366 -19.277 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -35.406 -21.104 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -36.499 -22.337 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -36.798 -20.846 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -37.278 -22.192 0.938 1.00 0.00 H new ATOM 972 N ALA A 173 -29.768 -17.230 -0.200 1.00 0.00 N ATOM 973 CA ALA A 173 -28.829 -17.076 0.931 1.00 0.00 C ATOM 974 C ALA A 173 -28.732 -15.610 1.399 1.00 0.00 C ATOM 975 O ALA A 173 -28.540 -15.344 2.603 1.00 0.00 O ATOM 976 CB ALA A 173 -27.447 -17.610 0.534 1.00 0.00 C ATOM 0 H ALA A 173 -29.306 -17.454 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 173 -29.212 -17.657 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -26.758 -17.494 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -27.526 -18.665 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -27.073 -17.050 -0.324 1.00 0.00 H new ATOM 982 N VAL A 174 -28.854 -14.668 0.436 1.00 0.00 N ATOM 983 CA VAL A 174 -28.905 -13.223 0.720 1.00 0.00 C ATOM 984 C VAL A 174 -30.165 -12.928 1.532 1.00 0.00 C ATOM 985 O VAL A 174 -30.072 -12.375 2.611 1.00 0.00 O ATOM 986 CB VAL A 174 -28.890 -12.334 -0.591 1.00 0.00 C ATOM 987 CG1 VAL A 174 -29.053 -10.823 -0.265 1.00 0.00 C ATOM 988 CG2 VAL A 174 -27.605 -12.576 -1.418 1.00 0.00 C ATOM 0 H VAL A 174 -28.919 -14.892 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 174 -28.008 -12.963 1.282 1.00 0.00 H new ATOM 0 HB VAL A 174 -29.747 -12.638 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -29.038 -10.247 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -30.002 -10.662 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -28.234 -10.499 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -27.624 -11.952 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -26.732 -12.322 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -27.552 -13.625 -1.710 1.00 0.00 H new ATOM 998 N LEU A 175 -31.317 -13.396 1.014 1.00 0.00 N ATOM 999 CA LEU A 175 -32.655 -13.172 1.593 1.00 0.00 C ATOM 1000 C LEU A 175 -32.782 -13.816 2.981 1.00 0.00 C ATOM 1001 O LEU A 175 -33.517 -13.314 3.820 1.00 0.00 O ATOM 1002 CB LEU A 175 -33.751 -13.728 0.642 1.00 0.00 C ATOM 1003 CG LEU A 175 -33.806 -13.082 -0.781 1.00 0.00 C ATOM 1004 CD1 LEU A 175 -34.840 -13.791 -1.688 1.00 0.00 C ATOM 1005 CD2 LEU A 175 -34.064 -11.559 -0.698 1.00 0.00 C ATOM 0 H LEU A 175 -31.343 -13.954 0.160 1.00 0.00 H new ATOM 0 HA LEU A 175 -32.793 -12.097 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -33.597 -14.801 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -34.722 -13.594 1.119 1.00 0.00 H new ATOM 0 HG LEU A 175 -32.828 -13.220 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -34.851 -13.315 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -34.569 -14.841 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -35.830 -13.717 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -34.097 -11.140 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -35.016 -11.378 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -33.262 -11.084 -0.133 1.00 0.00 H new ATOM 1017 N LEU A 176 -32.057 -14.925 3.193 1.00 0.00 N ATOM 1018 CA LEU A 176 -32.037 -15.651 4.478 1.00 0.00 C ATOM 1019 C LEU A 176 -31.400 -14.779 5.587 1.00 0.00 C ATOM 1020 O LEU A 176 -32.022 -14.500 6.625 1.00 0.00 O ATOM 1021 CB LEU A 176 -31.257 -16.987 4.313 1.00 0.00 C ATOM 1022 CG LEU A 176 -31.239 -17.935 5.555 1.00 0.00 C ATOM 1023 CD1 LEU A 176 -32.673 -18.348 5.967 1.00 0.00 C ATOM 1024 CD2 LEU A 176 -30.347 -19.172 5.292 1.00 0.00 C ATOM 0 H LEU A 176 -31.465 -15.347 2.477 1.00 0.00 H new ATOM 0 HA LEU A 176 -33.062 -15.875 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -31.686 -17.532 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -30.226 -16.751 4.047 1.00 0.00 H new ATOM 0 HG LEU A 176 -30.807 -17.385 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -32.627 -19.007 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -33.250 -17.458 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -33.153 -18.870 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -30.351 -19.817 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -30.734 -19.724 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -29.327 -18.848 5.084 1.00 0.00 H new ATOM 1036 N GLN A 177 -30.168 -14.322 5.319 1.00 0.00 N ATOM 1037 CA GLN A 177 -29.396 -13.476 6.259 1.00 0.00 C ATOM 1038 C GLN A 177 -29.954 -12.044 6.317 1.00 0.00 C ATOM 1039 O GLN A 177 -29.765 -11.342 7.315 1.00 0.00 O ATOM 1040 CB GLN A 177 -27.901 -13.466 5.858 1.00 0.00 C ATOM 1041 CG GLN A 177 -27.234 -14.853 5.943 1.00 0.00 C ATOM 1042 CD GLN A 177 -27.106 -15.408 7.368 1.00 0.00 C ATOM 1043 OE1 GLN A 177 -26.932 -14.662 8.329 1.00 0.00 O ATOM 1044 NE2 GLN A 177 -27.200 -16.724 7.517 1.00 0.00 N ATOM 0 H GLN A 177 -29.675 -14.524 4.449 1.00 0.00 H new ATOM 0 HA GLN A 177 -29.492 -13.904 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -27.808 -13.089 4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -27.364 -12.773 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -27.810 -15.557 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -26.240 -14.793 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -27.344 -17.320 6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -27.128 -17.138 8.446 1.00 0.00 H new ATOM 1053 N ARG A 178 -30.630 -11.629 5.230 1.00 0.00 N ATOM 1054 CA ARG A 178 -31.239 -10.298 5.116 1.00 0.00 C ATOM 1055 C ARG A 178 -32.445 -10.228 6.045 1.00 0.00 C ATOM 1056 O ARG A 178 -32.447 -9.433 6.961 1.00 0.00 O ATOM 1057 CB ARG A 178 -31.654 -9.976 3.652 1.00 0.00 C ATOM 1058 CG ARG A 178 -32.145 -8.529 3.418 1.00 0.00 C ATOM 1059 CD ARG A 178 -32.519 -8.253 1.949 1.00 0.00 C ATOM 1060 NE ARG A 178 -32.831 -6.827 1.728 1.00 0.00 N ATOM 1061 CZ ARG A 178 -32.883 -6.213 0.536 1.00 0.00 C ATOM 1062 NH1 ARG A 178 -32.678 -6.875 -0.593 1.00 0.00 N ATOM 1063 NH2 ARG A 178 -33.132 -4.924 0.488 1.00 0.00 N ATOM 0 H ARG A 178 -30.768 -12.212 4.405 1.00 0.00 H new ATOM 0 HA ARG A 178 -30.502 -9.549 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -30.803 -10.165 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -32.444 -10.665 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -33.012 -8.338 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -31.366 -7.832 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -31.695 -8.551 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -33.379 -8.862 1.671 1.00 0.00 H new ATOM 0 HE ARG A 178 -33.024 -6.259 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -32.475 -7.874 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -32.723 -6.385 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -33.283 -4.401 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -33.174 -4.446 -0.412 1.00 0.00 H new ATOM 1077 N ARG A 179 -33.425 -11.132 5.849 1.00 0.00 N ATOM 1078 CA ARG A 179 -34.670 -11.164 6.659 1.00 0.00 C ATOM 1079 C ARG A 179 -34.351 -11.337 8.154 1.00 0.00 C ATOM 1080 O ARG A 179 -35.066 -10.821 9.013 1.00 0.00 O ATOM 1081 CB ARG A 179 -35.643 -12.272 6.161 1.00 0.00 C ATOM 1082 CG ARG A 179 -35.208 -13.726 6.453 1.00 0.00 C ATOM 1083 CD ARG A 179 -36.157 -14.776 5.843 1.00 0.00 C ATOM 1084 NE ARG A 179 -37.547 -14.608 6.315 1.00 0.00 N ATOM 1085 CZ ARG A 179 -38.581 -15.415 6.022 1.00 0.00 C ATOM 1086 NH1 ARG A 179 -38.418 -16.513 5.298 1.00 0.00 N ATOM 1087 NH2 ARG A 179 -39.785 -15.119 6.470 1.00 0.00 N ATOM 0 H ARG A 179 -33.382 -11.857 5.133 1.00 0.00 H new ATOM 0 HA ARG A 179 -35.172 -10.205 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -36.619 -12.105 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -35.772 -12.160 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -34.203 -13.883 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -35.158 -13.874 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -36.132 -14.699 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -35.805 -15.775 6.100 1.00 0.00 H new ATOM 0 HE ARG A 179 -37.739 -13.808 6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 179 -37.492 -16.762 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 179 -39.219 -17.110 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -39.927 -14.282 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 179 -40.574 -15.727 6.251 1.00 0.00 H new ATOM 1101 N LYS A 180 -33.241 -12.040 8.450 1.00 0.00 N ATOM 1102 CA LYS A 180 -32.742 -12.165 9.820 1.00 0.00 C ATOM 1103 C LYS A 180 -32.315 -10.780 10.371 1.00 0.00 C ATOM 1104 O LYS A 180 -32.899 -10.308 11.351 1.00 0.00 O ATOM 1105 CB LYS A 180 -31.572 -13.187 9.899 1.00 0.00 C ATOM 1106 CG LYS A 180 -30.976 -13.449 11.322 1.00 0.00 C ATOM 1107 CD LYS A 180 -31.922 -14.203 12.322 1.00 0.00 C ATOM 1108 CE LYS A 180 -32.981 -13.305 13.008 1.00 0.00 C ATOM 1109 NZ LYS A 180 -33.787 -14.040 14.015 1.00 0.00 N ATOM 0 H LYS A 180 -32.677 -12.528 7.754 1.00 0.00 H new ATOM 0 HA LYS A 180 -33.551 -12.544 10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 180 -31.920 -14.137 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 180 -30.768 -12.838 9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 180 -30.058 -14.026 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -30.699 -12.491 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -32.434 -15.001 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -31.312 -14.676 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -32.482 -12.465 13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -33.645 -12.889 12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -34.480 -13.394 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -34.287 -14.826 13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -33.160 -14.415 14.755 1.00 0.00 H new ATOM 1123 N ARG A 181 -31.352 -10.114 9.683 1.00 0.00 N ATOM 1124 CA ARG A 181 -30.752 -8.840 10.160 1.00 0.00 C ATOM 1125 C ARG A 181 -31.783 -7.678 10.163 1.00 0.00 C ATOM 1126 O ARG A 181 -31.672 -6.759 10.983 1.00 0.00 O ATOM 1127 CB ARG A 181 -29.496 -8.451 9.320 1.00 0.00 C ATOM 1128 CG ARG A 181 -29.799 -8.001 7.882 1.00 0.00 C ATOM 1129 CD ARG A 181 -28.568 -7.534 7.102 1.00 0.00 C ATOM 1130 NE ARG A 181 -28.948 -7.047 5.763 1.00 0.00 N ATOM 1131 CZ ARG A 181 -28.186 -7.113 4.664 1.00 0.00 C ATOM 1132 NH1 ARG A 181 -26.952 -7.603 4.711 1.00 0.00 N ATOM 1133 NH2 ARG A 181 -28.664 -6.661 3.523 1.00 0.00 N ATOM 0 H ARG A 181 -30.973 -10.439 8.793 1.00 0.00 H new ATOM 0 HA ARG A 181 -30.437 -9.009 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 181 -28.967 -7.648 9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 181 -28.821 -9.306 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 181 -30.265 -8.827 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 181 -30.526 -7.190 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 181 -28.063 -6.740 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 181 -27.859 -8.356 7.007 1.00 0.00 H new ATOM 0 HE ARG A 181 -29.871 -6.623 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 181 -26.569 -7.937 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 181 -26.387 -7.645 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 181 -29.604 -6.267 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 181 -28.094 -6.705 2.678 1.00 0.00 H new ATOM 1147 N GLU A 182 -32.784 -7.736 9.254 1.00 0.00 N ATOM 1148 CA GLU A 182 -33.835 -6.704 9.142 1.00 0.00 C ATOM 1149 C GLU A 182 -34.785 -6.802 10.345 1.00 0.00 C ATOM 1150 O GLU A 182 -35.243 -5.787 10.869 1.00 0.00 O ATOM 1151 CB GLU A 182 -34.652 -6.834 7.816 1.00 0.00 C ATOM 1152 CG GLU A 182 -33.845 -6.712 6.501 1.00 0.00 C ATOM 1153 CD GLU A 182 -32.986 -5.442 6.398 1.00 0.00 C ATOM 1154 OE1 GLU A 182 -33.525 -4.381 6.026 1.00 0.00 O ATOM 1155 OE2 GLU A 182 -31.761 -5.501 6.664 1.00 0.00 O ATOM 0 H GLU A 182 -32.884 -8.497 8.582 1.00 0.00 H new ATOM 0 HA GLU A 182 -33.341 -5.732 9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 182 -35.158 -7.799 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 182 -35.427 -6.068 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 182 -33.197 -7.583 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 182 -34.538 -6.736 5.660 1.00 0.00 H new ATOM 1162 N ASN A 183 -35.067 -8.041 10.776 1.00 0.00 N ATOM 1163 CA ASN A 183 -35.986 -8.321 11.901 1.00 0.00 C ATOM 1164 C ASN A 183 -35.234 -8.420 13.247 1.00 0.00 C ATOM 1165 O ASN A 183 -35.821 -8.820 14.255 1.00 0.00 O ATOM 1166 CB ASN A 183 -36.803 -9.601 11.581 1.00 0.00 C ATOM 1167 CG ASN A 183 -37.842 -9.365 10.468 1.00 0.00 C ATOM 1168 OD1 ASN A 183 -39.021 -9.155 10.728 1.00 0.00 O ATOM 1169 ND2 ASN A 183 -37.404 -9.323 9.226 1.00 0.00 N ATOM 0 H ASN A 183 -34.667 -8.880 10.357 1.00 0.00 H new ATOM 0 HA ASN A 183 -36.679 -7.487 12.015 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -36.123 -10.398 11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -37.311 -9.941 12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -38.049 -9.113 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -36.420 -9.500 9.026 1.00 0.00 H new ATOM 1176 N MET A 184 -33.935 -8.048 13.259 1.00 0.00 N ATOM 1177 CA MET A 184 -33.170 -7.836 14.507 1.00 0.00 C ATOM 1178 C MET A 184 -33.545 -6.458 15.085 1.00 0.00 C ATOM 1179 O MET A 184 -33.294 -5.433 14.435 1.00 0.00 O ATOM 1180 CB MET A 184 -31.635 -7.901 14.249 1.00 0.00 C ATOM 1181 CG MET A 184 -31.111 -9.267 13.789 1.00 0.00 C ATOM 1182 SD MET A 184 -31.283 -10.560 15.038 1.00 0.00 S ATOM 1183 CE MET A 184 -30.149 -9.999 16.310 1.00 0.00 C ATOM 0 H MET A 184 -33.391 -7.887 12.411 1.00 0.00 H new ATOM 0 HA MET A 184 -33.420 -8.627 15.214 1.00 0.00 H new ATOM 0 HB2 MET A 184 -31.377 -7.157 13.495 1.00 0.00 H new ATOM 0 HB3 MET A 184 -31.116 -7.620 15.165 1.00 0.00 H new ATOM 0 HG2 MET A 184 -31.646 -9.569 12.889 1.00 0.00 H new ATOM 0 HG3 MET A 184 -30.060 -9.172 13.518 1.00 0.00 H new ATOM 0 HE1 MET A 184 -29.965 -10.809 17.016 1.00 0.00 H new ATOM 0 HE2 MET A 184 -29.208 -9.697 15.851 1.00 0.00 H new ATOM 0 HE3 MET A 184 -30.584 -9.150 16.837 1.00 0.00 H new ATOM 1193 N SER A 185 -34.194 -6.450 16.268 1.00 0.00 N ATOM 1194 CA SER A 185 -34.562 -5.216 17.016 1.00 0.00 C ATOM 1195 C SER A 185 -35.579 -4.326 16.253 1.00 0.00 C ATOM 1196 O SER A 185 -35.736 -3.141 16.584 1.00 0.00 O ATOM 1197 CB SER A 185 -33.286 -4.409 17.380 1.00 0.00 C ATOM 1198 OG SER A 185 -32.313 -5.231 18.017 1.00 0.00 O ATOM 0 H SER A 185 -34.483 -7.306 16.741 1.00 0.00 H new ATOM 0 HA SER A 185 -35.060 -5.535 17.932 1.00 0.00 H new ATOM 0 HB2 SER A 185 -32.860 -3.973 16.477 1.00 0.00 H new ATOM 0 HB3 SER A 185 -33.553 -3.582 18.038 1.00 0.00 H new ATOM 0 HG SER A 185 -31.522 -4.694 18.232 1.00 0.00 H new ATOM 1204 N ASP A 186 -36.299 -4.914 15.279 1.00 0.00 N ATOM 1205 CA ASP A 186 -37.168 -4.152 14.357 1.00 0.00 C ATOM 1206 C ASP A 186 -38.323 -5.027 13.838 1.00 0.00 C ATOM 1207 O ASP A 186 -38.164 -6.245 13.696 1.00 0.00 O ATOM 1208 CB ASP A 186 -36.312 -3.606 13.181 1.00 0.00 C ATOM 1209 CG ASP A 186 -37.103 -2.720 12.199 1.00 0.00 C ATOM 1210 OD1 ASP A 186 -37.384 -1.553 12.534 1.00 0.00 O ATOM 1211 OD2 ASP A 186 -37.460 -3.187 11.099 1.00 0.00 O ATOM 0 H ASP A 186 -36.297 -5.920 15.108 1.00 0.00 H new ATOM 0 HA ASP A 186 -37.612 -3.314 14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -35.479 -3.031 13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -35.883 -4.446 12.634 1.00 0.00 H new ATOM 1216 N GLY A 187 -39.471 -4.382 13.543 1.00 0.00 N ATOM 1217 CA GLY A 187 -40.656 -5.054 13.018 1.00 0.00 C ATOM 1218 C GLY A 187 -41.700 -4.041 12.551 1.00 0.00 C ATOM 1219 O GLY A 187 -41.623 -3.556 11.418 1.00 0.00 O ATOM 0 H GLY A 187 -39.592 -3.377 13.666 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -40.374 -5.700 12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -41.085 -5.695 13.788 1.00 0.00 H new ATOM 1223 N ASP A 188 -42.678 -3.734 13.426 1.00 0.00 N ATOM 1224 CA ASP A 188 -43.680 -2.661 13.222 1.00 0.00 C ATOM 1225 C ASP A 188 -44.465 -2.445 14.543 1.00 0.00 C ATOM 1226 O ASP A 188 -44.825 -3.446 15.199 1.00 0.00 O ATOM 1227 CB ASP A 188 -44.660 -2.943 12.036 1.00 0.00 C ATOM 1228 CG ASP A 188 -45.601 -4.145 12.250 1.00 0.00 C ATOM 1229 OD1 ASP A 188 -45.121 -5.295 12.200 1.00 0.00 O ATOM 1230 OD2 ASP A 188 -46.817 -3.946 12.480 1.00 0.00 O ATOM 1231 OXT ASP A 188 -44.700 -1.280 14.936 1.00 0.00 O ATOM 0 H ASP A 188 -42.799 -4.230 14.309 1.00 0.00 H new ATOM 0 HA ASP A 188 -43.139 -1.755 12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -45.264 -2.053 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -44.075 -3.113 11.132 1.00 0.00 H new TER 1236 ASP A 188 HETATM 1237 ZN ZN A 201 -24.012 -15.870 4.684 1.00 0.00 ZN HETATM 1238 ZN ZN A 202 -14.535 -21.670 -2.679 1.00 0.00 ZN