USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 524 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 94 LYS NZ :NH3+ 154:sc= -0.386 (180deg=-1.34!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -2.88 K(o=-5.2,f=-7.9!) USER MOD Set 1.3: A 111 ASN :FLIP amide:sc= -1.89 F(o=-7.2!,f=-5.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 143:sc= -2.97! (180deg=-4.35!) USER MOD Single : A 96 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.5!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0.803 F(o=-11!,f=0.8) USER MOD Single : A 101 SER OG : rot -170:sc= 0.333 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 85:sc= 1.13 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 124 MET CE :methyl -163:sc= -0.366 (180deg=-0.419) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 137 ASN :FLIP amide:sc= 0.305 F(o=-8.5!,f=0.31) USER MOD Single : A 138 TYR OH : rot 157:sc= 0.287 USER MOD Single : A 143 LYS NZ :NH3+ -158:sc= -0.0297 (180deg=-0.49) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 161:sc= -0.0561 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.419 -2.278 -0.834 1.00 0.00 N ATOM 2 CA ASP A 80 -20.121 -3.697 -0.492 1.00 0.00 C ATOM 3 C ASP A 80 -18.691 -4.031 -0.906 1.00 0.00 C ATOM 4 O ASP A 80 -17.802 -4.156 -0.060 1.00 0.00 O ATOM 5 CB ASP A 80 -21.109 -4.612 -1.221 1.00 0.00 C ATOM 6 CG ASP A 80 -22.495 -4.487 -0.597 1.00 0.00 C ATOM 7 OD1 ASP A 80 -22.602 -3.846 0.435 1.00 0.00 O ATOM 8 OD2 ASP A 80 -23.428 -5.034 -1.160 1.00 0.00 O ATOM 0 HA ASP A 80 -20.222 -3.847 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.152 -4.346 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.768 -5.646 -1.166 1.00 0.00 H new ATOM 15 N SER A 81 -18.471 -4.168 -2.209 1.00 0.00 N ATOM 16 CA SER A 81 -17.138 -4.484 -2.708 1.00 0.00 C ATOM 17 C SER A 81 -16.154 -3.402 -2.285 1.00 0.00 C ATOM 18 O SER A 81 -15.064 -3.696 -1.799 1.00 0.00 O ATOM 19 CB SER A 81 -17.161 -4.585 -4.233 1.00 0.00 C ATOM 20 OG SER A 81 -18.001 -5.666 -4.619 1.00 0.00 O ATOM 0 H SER A 81 -19.186 -4.067 -2.929 1.00 0.00 H new ATOM 0 HA SER A 81 -16.824 -5.440 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.526 -3.653 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.152 -4.739 -4.614 1.00 0.00 H new ATOM 0 HG SER A 81 -18.020 -5.733 -5.597 1.00 0.00 H new ATOM 26 N GLU A 82 -16.543 -2.147 -2.472 1.00 0.00 N ATOM 27 CA GLU A 82 -15.679 -1.034 -2.105 1.00 0.00 C ATOM 28 C GLU A 82 -15.342 -1.096 -0.618 1.00 0.00 C ATOM 29 O GLU A 82 -14.211 -0.823 -0.221 1.00 0.00 O ATOM 30 CB GLU A 82 -16.382 0.302 -2.443 1.00 0.00 C ATOM 31 CG GLU A 82 -15.888 0.834 -3.795 1.00 0.00 C ATOM 32 CD GLU A 82 -14.491 1.429 -3.641 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.136 1.782 -2.528 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.796 1.520 -4.639 1.00 0.00 O ATOM 0 H GLU A 82 -17.442 -1.877 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.750 -1.100 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.462 0.155 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.182 1.034 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.870 0.028 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.576 1.592 -4.171 1.00 0.00 H new ATOM 41 N GLU A 83 -16.323 -1.459 0.200 1.00 0.00 N ATOM 42 CA GLU A 83 -16.095 -1.548 1.634 1.00 0.00 C ATOM 43 C GLU A 83 -14.993 -2.559 1.927 1.00 0.00 C ATOM 44 O GLU A 83 -14.135 -2.328 2.778 1.00 0.00 O ATOM 45 CB GLU A 83 -17.388 -1.966 2.338 1.00 0.00 C ATOM 46 CG GLU A 83 -17.192 -1.909 3.854 1.00 0.00 C ATOM 47 CD GLU A 83 -18.490 -2.284 4.560 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.083 -3.279 4.179 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.876 -1.566 5.470 1.00 0.00 O ATOM 0 H GLU A 83 -17.269 -1.693 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.784 -0.572 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.204 -1.307 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.668 -2.975 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.396 -2.591 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.882 -0.907 4.152 1.00 0.00 H new ATOM 56 N GLU A 84 -15.003 -3.667 1.197 1.00 0.00 N ATOM 57 CA GLU A 84 -13.990 -4.696 1.374 1.00 0.00 C ATOM 58 C GLU A 84 -12.613 -4.162 0.980 1.00 0.00 C ATOM 59 O GLU A 84 -11.633 -4.351 1.697 1.00 0.00 O ATOM 60 CB GLU A 84 -14.385 -5.906 0.517 1.00 0.00 C ATOM 61 CG GLU A 84 -13.210 -6.864 0.325 1.00 0.00 C ATOM 62 CD GLU A 84 -12.769 -7.430 1.671 1.00 0.00 C ATOM 63 OE1 GLU A 84 -13.571 -7.417 2.589 1.00 0.00 O ATOM 64 OE2 GLU A 84 -11.633 -7.866 1.766 1.00 0.00 O ATOM 0 H GLU A 84 -15.698 -3.874 0.480 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.931 -4.995 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.213 -6.434 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.740 -5.564 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.498 -7.676 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.379 -6.342 -0.149 1.00 0.00 H new ATOM 71 N LEU A 85 -12.546 -3.509 -0.169 1.00 0.00 N ATOM 72 CA LEU A 85 -11.277 -2.966 -0.648 1.00 0.00 C ATOM 73 C LEU A 85 -10.692 -2.006 0.382 1.00 0.00 C ATOM 74 O LEU A 85 -9.503 -2.063 0.696 1.00 0.00 O ATOM 75 CB LEU A 85 -11.506 -2.221 -1.970 1.00 0.00 C ATOM 76 CG LEU A 85 -10.207 -1.591 -2.480 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.204 -2.683 -2.875 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.522 -0.733 -3.705 1.00 0.00 C ATOM 0 H LEU A 85 -13.343 -3.341 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.577 -3.787 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.897 -2.912 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.259 -1.446 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.771 -0.980 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.285 -2.220 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.981 -3.304 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.632 -3.302 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.604 -0.279 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.959 -1.358 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.228 0.050 -3.429 1.00 0.00 H new ATOM 90 N LYS A 86 -11.534 -1.126 0.896 1.00 0.00 N ATOM 91 CA LYS A 86 -11.100 -0.150 1.888 1.00 0.00 C ATOM 92 C LYS A 86 -10.632 -0.847 3.160 1.00 0.00 C ATOM 93 O LYS A 86 -9.711 -0.375 3.828 1.00 0.00 O ATOM 94 CB LYS A 86 -12.232 0.829 2.183 1.00 0.00 C ATOM 95 CG LYS A 86 -12.459 1.696 0.942 1.00 0.00 C ATOM 96 CD LYS A 86 -13.543 2.746 1.224 1.00 0.00 C ATOM 97 CE LYS A 86 -14.907 2.071 1.415 1.00 0.00 C ATOM 98 NZ LYS A 86 -15.052 1.651 2.838 1.00 0.00 N ATOM 0 H LYS A 86 -12.521 -1.065 0.645 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.255 0.410 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.143 0.289 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.980 1.453 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.529 2.189 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.758 1.070 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.284 3.314 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.594 3.456 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.708 2.759 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.993 1.206 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.037 1.788 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.797 0.647 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.423 2.225 3.435 1.00 0.00 H new ATOM 112 N GLU A 87 -11.224 -1.998 3.465 1.00 0.00 N ATOM 113 CA GLU A 87 -10.786 -2.751 4.635 1.00 0.00 C ATOM 114 C GLU A 87 -9.364 -3.245 4.382 1.00 0.00 C ATOM 115 O GLU A 87 -8.497 -3.161 5.253 1.00 0.00 O ATOM 116 CB GLU A 87 -11.718 -3.934 4.920 1.00 0.00 C ATOM 117 CG GLU A 87 -13.013 -3.430 5.562 1.00 0.00 C ATOM 118 CD GLU A 87 -14.005 -4.579 5.702 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.626 -5.702 5.415 1.00 0.00 O ATOM 120 OE2 GLU A 87 -15.131 -4.318 6.095 1.00 0.00 O ATOM 0 H GLU A 87 -11.987 -2.420 2.935 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.812 -2.102 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.942 -4.464 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.226 -4.646 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.800 -3.000 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.446 -2.637 4.953 1.00 0.00 H new ATOM 127 N ALA A 88 -9.131 -3.729 3.163 1.00 0.00 N ATOM 128 CA ALA A 88 -7.805 -4.203 2.780 1.00 0.00 C ATOM 129 C ALA A 88 -6.812 -3.049 2.875 1.00 0.00 C ATOM 130 O ALA A 88 -5.705 -3.196 3.386 1.00 0.00 O ATOM 131 CB ALA A 88 -7.839 -4.741 1.347 1.00 0.00 C ATOM 0 H ALA A 88 -9.837 -3.802 2.431 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.498 -5.005 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.846 -5.093 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.548 -5.567 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.147 -3.947 0.667 1.00 0.00 H new ATOM 137 N PHE A 89 -7.227 -1.891 2.383 1.00 0.00 N ATOM 138 CA PHE A 89 -6.386 -0.705 2.426 1.00 0.00 C ATOM 139 C PHE A 89 -6.073 -0.337 3.877 1.00 0.00 C ATOM 140 O PHE A 89 -4.932 -0.028 4.222 1.00 0.00 O ATOM 141 CB PHE A 89 -7.109 0.450 1.735 1.00 0.00 C ATOM 142 CG PHE A 89 -6.348 1.731 1.957 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.237 2.048 1.165 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.748 2.592 2.980 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.532 3.234 1.398 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.041 3.772 3.219 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.932 4.093 2.426 1.00 0.00 C ATOM 0 H PHE A 89 -8.139 -1.748 1.950 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.448 -0.906 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.198 0.249 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.122 0.545 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.925 1.379 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.606 2.345 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.680 3.486 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.349 4.436 4.014 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.385 5.006 2.609 1.00 0.00 H new ATOM 157 N ARG A 90 -7.101 -0.370 4.717 1.00 0.00 N ATOM 158 CA ARG A 90 -6.952 -0.034 6.129 1.00 0.00 C ATOM 159 C ARG A 90 -5.942 -0.971 6.792 1.00 0.00 C ATOM 160 O ARG A 90 -5.199 -0.566 7.687 1.00 0.00 O ATOM 161 CB ARG A 90 -8.309 -0.155 6.825 1.00 0.00 C ATOM 162 CG ARG A 90 -8.262 0.556 8.175 1.00 0.00 C ATOM 163 CD ARG A 90 -9.605 0.401 8.879 1.00 0.00 C ATOM 164 NE ARG A 90 -9.838 -0.998 9.213 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.389 -1.520 10.350 1.00 0.00 C ATOM 166 NH1 ARG A 90 -9.838 -1.073 11.490 1.00 0.00 N ATOM 167 NH2 ARG A 90 -8.499 -2.472 10.326 1.00 0.00 N ATOM 0 H ARG A 90 -8.050 -0.627 4.444 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.587 0.989 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.089 0.281 6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.564 -1.205 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.466 0.137 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.033 1.612 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.621 1.007 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.405 0.767 8.236 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.356 -1.588 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.531 -0.325 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.496 -1.471 12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.146 -2.818 9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.156 -2.871 11.200 1.00 0.00 H new ATOM 181 N VAL A 91 -5.900 -2.217 6.323 1.00 0.00 N ATOM 182 CA VAL A 91 -4.953 -3.192 6.857 1.00 0.00 C ATOM 183 C VAL A 91 -3.530 -2.769 6.502 1.00 0.00 C ATOM 184 O VAL A 91 -2.623 -2.819 7.333 1.00 0.00 O ATOM 185 CB VAL A 91 -5.239 -4.583 6.263 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.087 -5.545 6.577 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.545 -5.135 6.846 1.00 0.00 C ATOM 0 H VAL A 91 -6.504 -2.572 5.582 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.061 -3.237 7.941 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.334 -4.490 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.304 -6.524 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.163 -5.159 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.974 -5.637 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.745 -6.120 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.454 -5.217 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.366 -4.462 6.601 1.00 0.00 H new ATOM 197 N PHE A 92 -3.352 -2.370 5.247 1.00 0.00 N ATOM 198 CA PHE A 92 -2.047 -1.954 4.749 1.00 0.00 C ATOM 199 C PHE A 92 -1.514 -0.710 5.463 1.00 0.00 C ATOM 200 O PHE A 92 -0.320 -0.616 5.747 1.00 0.00 O ATOM 201 CB PHE A 92 -2.137 -1.640 3.242 1.00 0.00 C ATOM 202 CG PHE A 92 -2.050 -2.901 2.404 1.00 0.00 C ATOM 203 CD1 PHE A 92 -0.918 -3.725 2.481 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.088 -3.229 1.520 1.00 0.00 C ATOM 205 CE1 PHE A 92 -0.834 -4.872 1.687 1.00 0.00 C ATOM 206 CE2 PHE A 92 -2.998 -4.370 0.725 1.00 0.00 C ATOM 207 CZ PHE A 92 -1.872 -5.196 0.809 1.00 0.00 C ATOM 0 H PHE A 92 -4.099 -2.326 4.554 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.363 -2.781 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.075 -1.127 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.332 -0.960 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.111 -3.473 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.960 -2.595 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.035 -5.510 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.798 -4.617 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.805 -6.083 0.196 1.00 0.00 H new ATOM 217 N ASP A 93 -2.388 0.258 5.708 1.00 0.00 N ATOM 218 CA ASP A 93 -1.963 1.510 6.333 1.00 0.00 C ATOM 219 C ASP A 93 -1.922 1.406 7.856 1.00 0.00 C ATOM 220 O ASP A 93 -2.887 1.739 8.541 1.00 0.00 O ATOM 221 CB ASP A 93 -2.915 2.636 5.919 1.00 0.00 C ATOM 222 CG ASP A 93 -2.257 4.005 6.118 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.099 4.042 6.512 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.919 4.995 5.863 1.00 0.00 O ATOM 0 H ASP A 93 -3.383 0.205 5.488 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.951 1.726 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.199 2.512 4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.831 2.579 6.507 1.00 0.00 H new ATOM 229 N LYS A 94 -0.788 0.941 8.372 1.00 0.00 N ATOM 230 CA LYS A 94 -0.631 0.804 9.817 1.00 0.00 C ATOM 231 C LYS A 94 -0.778 2.169 10.481 1.00 0.00 C ATOM 232 O LYS A 94 -1.505 2.324 11.459 1.00 0.00 O ATOM 233 CB LYS A 94 0.747 0.241 10.163 1.00 0.00 C ATOM 234 CG LYS A 94 0.850 -1.226 9.731 1.00 0.00 C ATOM 235 CD LYS A 94 2.270 -1.750 10.002 1.00 0.00 C ATOM 236 CE LYS A 94 2.427 -2.133 11.480 1.00 0.00 C ATOM 237 NZ LYS A 94 1.374 -3.117 11.861 1.00 0.00 N ATOM 0 H LYS A 94 0.023 0.657 7.823 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.399 0.121 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.521 0.827 9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.922 0.324 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.121 -1.827 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.614 -1.320 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.471 -2.617 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.002 -0.987 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.415 -2.559 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.350 -1.244 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.710 -3.693 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.510 -2.610 12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.167 -3.735 11.051 1.00 0.00 H new ATOM 251 N ASP A 95 -0.108 3.166 9.907 1.00 0.00 N ATOM 252 CA ASP A 95 -0.188 4.527 10.422 1.00 0.00 C ATOM 253 C ASP A 95 -1.641 5.044 10.317 1.00 0.00 C ATOM 254 O ASP A 95 -2.165 5.621 11.268 1.00 0.00 O ATOM 255 CB ASP A 95 0.754 5.426 9.614 1.00 0.00 C ATOM 256 CG ASP A 95 0.519 6.895 9.941 1.00 0.00 C ATOM 257 OD1 ASP A 95 0.022 7.175 11.019 1.00 0.00 O ATOM 258 OD2 ASP A 95 0.838 7.722 9.097 1.00 0.00 O ATOM 0 H ASP A 95 0.493 3.056 9.090 1.00 0.00 H new ATOM 0 HA ASP A 95 0.111 4.541 11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.789 5.162 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.599 5.257 8.548 1.00 0.00 H new ATOM 263 N GLN A 96 -2.271 4.800 9.139 1.00 0.00 N ATOM 264 CA GLN A 96 -3.679 5.210 8.861 1.00 0.00 C ATOM 265 C GLN A 96 -3.772 6.721 8.626 1.00 0.00 C ATOM 266 O GLN A 96 -4.604 7.395 9.225 1.00 0.00 O ATOM 267 CB GLN A 96 -4.636 4.789 10.035 1.00 0.00 C ATOM 268 CG GLN A 96 -6.066 4.392 9.523 1.00 0.00 C ATOM 269 CD GLN A 96 -6.206 2.876 9.412 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.016 2.348 8.320 1.00 0.00 O ATOM 271 NE2 GLN A 96 -6.533 2.189 10.472 1.00 0.00 N ATOM 0 H GLN A 96 -1.825 4.318 8.359 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.997 4.694 7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.199 3.948 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.722 5.612 10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.822 4.782 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.248 4.850 8.551 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.682 2.665 11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.639 1.176 10.411 1.00 0.00 H new ATOM 280 N ASN A 97 -2.925 7.265 7.748 1.00 0.00 N ATOM 281 CA ASN A 97 -2.964 8.701 7.450 1.00 0.00 C ATOM 282 C ASN A 97 -3.590 8.917 6.076 1.00 0.00 C ATOM 283 O ASN A 97 -3.604 10.031 5.553 1.00 0.00 O ATOM 284 CB ASN A 97 -1.550 9.278 7.482 1.00 0.00 C ATOM 285 CG ASN A 97 -0.707 8.565 6.443 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.174 7.483 5.881 1.00 0.00 O flip ATOM 287 ND2 ASN A 97 0.399 9.003 6.127 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.213 6.743 7.237 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.566 9.211 8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.575 10.348 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.114 9.152 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.758 9.849 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.956 8.520 5.422 1.00 0.00 H new ATOM 294 N GLY A 98 -4.108 7.830 5.494 1.00 0.00 N ATOM 295 CA GLY A 98 -4.735 7.881 4.170 1.00 0.00 C ATOM 296 C GLY A 98 -3.748 7.432 3.100 1.00 0.00 C ATOM 297 O GLY A 98 -4.115 7.232 1.940 1.00 0.00 O ATOM 0 H GLY A 98 -4.105 6.903 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.617 7.240 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.074 8.895 3.959 1.00 0.00 H new ATOM 301 N PHE A 99 -2.493 7.280 3.505 1.00 0.00 N ATOM 302 CA PHE A 99 -1.421 6.857 2.603 1.00 0.00 C ATOM 303 C PHE A 99 -0.721 5.622 3.149 1.00 0.00 C ATOM 304 O PHE A 99 -0.750 5.361 4.353 1.00 0.00 O ATOM 305 CB PHE A 99 -0.383 7.967 2.470 1.00 0.00 C ATOM 306 CG PHE A 99 -1.004 9.180 1.820 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.932 9.953 2.526 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.657 9.526 0.510 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.511 11.074 1.924 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.237 10.647 -0.094 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.164 11.423 0.613 1.00 0.00 C ATOM 0 H PHE A 99 -2.187 7.445 4.464 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.866 6.634 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.007 8.231 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.461 7.618 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.201 9.684 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.058 8.928 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.226 11.671 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.970 10.914 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.611 12.289 0.148 1.00 0.00 H new ATOM 321 N ILE A 100 -0.058 4.889 2.259 1.00 0.00 N ATOM 322 CA ILE A 100 0.698 3.702 2.651 1.00 0.00 C ATOM 323 C ILE A 100 2.160 3.929 2.306 1.00 0.00 C ATOM 324 O ILE A 100 2.500 4.283 1.176 1.00 0.00 O ATOM 325 CB ILE A 100 0.183 2.460 1.926 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.292 2.251 2.269 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.985 1.239 2.386 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.910 1.215 1.323 1.00 0.00 C ATOM 0 H ILE A 100 -0.029 5.096 1.261 1.00 0.00 H new ATOM 0 HA ILE A 100 0.579 3.538 3.722 1.00 0.00 H new ATOM 0 HB ILE A 100 0.295 2.590 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.390 1.916 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.830 3.196 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.621 0.350 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.039 1.387 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.866 1.110 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.961 1.073 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.828 1.567 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.381 0.267 1.426 1.00 0.00 H new ATOM 340 N SER A 101 3.013 3.736 3.295 1.00 0.00 N ATOM 341 CA SER A 101 4.448 3.932 3.115 1.00 0.00 C ATOM 342 C SER A 101 5.143 2.597 2.901 1.00 0.00 C ATOM 343 O SER A 101 4.675 1.563 3.380 1.00 0.00 O ATOM 344 CB SER A 101 5.027 4.617 4.351 1.00 0.00 C ATOM 345 OG SER A 101 5.376 3.627 5.310 1.00 0.00 O ATOM 0 H SER A 101 2.741 3.443 4.234 1.00 0.00 H new ATOM 0 HA SER A 101 4.611 4.557 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.905 5.204 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.299 5.310 4.773 1.00 0.00 H new ATOM 0 HG SER A 101 5.599 4.060 6.161 1.00 0.00 H new ATOM 351 N ALA A 102 6.275 2.620 2.205 1.00 0.00 N ATOM 352 CA ALA A 102 7.020 1.394 1.978 1.00 0.00 C ATOM 353 C ALA A 102 7.304 0.761 3.329 1.00 0.00 C ATOM 354 O ALA A 102 7.156 -0.448 3.513 1.00 0.00 O ATOM 355 CB ALA A 102 8.334 1.698 1.256 1.00 0.00 C ATOM 0 H ALA A 102 6.688 3.459 1.797 1.00 0.00 H new ATOM 0 HA ALA A 102 6.441 0.713 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.882 0.770 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.121 2.168 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.936 2.373 1.865 1.00 0.00 H new ATOM 361 N ALA A 103 7.690 1.605 4.281 1.00 0.00 N ATOM 362 CA ALA A 103 7.974 1.152 5.633 1.00 0.00 C ATOM 363 C ALA A 103 6.777 0.382 6.184 1.00 0.00 C ATOM 364 O ALA A 103 6.915 -0.744 6.660 1.00 0.00 O ATOM 365 CB ALA A 103 8.254 2.365 6.522 1.00 0.00 C ATOM 0 H ALA A 103 7.813 2.607 4.138 1.00 0.00 H new ATOM 0 HA ALA A 103 8.845 0.496 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.468 2.031 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.113 2.912 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.382 3.018 6.531 1.00 0.00 H new ATOM 371 N GLU A 104 5.600 0.999 6.108 1.00 0.00 N ATOM 372 CA GLU A 104 4.386 0.374 6.590 1.00 0.00 C ATOM 373 C GLU A 104 4.089 -0.875 5.771 1.00 0.00 C ATOM 374 O GLU A 104 3.701 -1.910 6.308 1.00 0.00 O ATOM 375 CB GLU A 104 3.238 1.370 6.461 1.00 0.00 C ATOM 376 CG GLU A 104 3.462 2.520 7.440 1.00 0.00 C ATOM 377 CD GLU A 104 2.479 3.645 7.157 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.577 3.435 6.361 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.655 4.707 7.724 1.00 0.00 O ATOM 0 H GLU A 104 5.469 1.931 5.716 1.00 0.00 H new ATOM 0 HA GLU A 104 4.505 0.085 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.183 1.750 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.288 0.878 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.337 2.166 8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.484 2.889 7.352 1.00 0.00 H new ATOM 386 N LEU A 105 4.289 -0.764 4.464 1.00 0.00 N ATOM 387 CA LEU A 105 4.054 -1.882 3.561 1.00 0.00 C ATOM 388 C LEU A 105 5.031 -3.019 3.860 1.00 0.00 C ATOM 389 O LEU A 105 4.665 -4.194 3.823 1.00 0.00 O ATOM 390 CB LEU A 105 4.223 -1.416 2.111 1.00 0.00 C ATOM 391 CG LEU A 105 3.722 -2.499 1.135 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.195 -2.430 0.998 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.351 -2.277 -0.243 1.00 0.00 C ATOM 0 H LEU A 105 4.613 0.088 4.006 1.00 0.00 H new ATOM 0 HA LEU A 105 3.038 -2.248 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.669 -0.491 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.272 -1.197 1.913 1.00 0.00 H new ATOM 0 HG LEU A 105 4.006 -3.476 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.857 -3.201 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.735 -2.590 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.908 -1.450 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.996 -3.043 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.069 -1.293 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.436 -2.337 -0.161 1.00 0.00 H new ATOM 405 N ARG A 106 6.275 -2.658 4.168 1.00 0.00 N ATOM 406 CA ARG A 106 7.290 -3.644 4.484 1.00 0.00 C ATOM 407 C ARG A 106 6.884 -4.436 5.721 1.00 0.00 C ATOM 408 O ARG A 106 7.035 -5.658 5.771 1.00 0.00 O ATOM 409 CB ARG A 106 8.620 -2.944 4.734 1.00 0.00 C ATOM 410 CG ARG A 106 9.705 -3.988 4.974 1.00 0.00 C ATOM 411 CD ARG A 106 11.037 -3.285 5.199 1.00 0.00 C ATOM 412 NE ARG A 106 11.003 -2.502 6.433 1.00 0.00 N ATOM 413 CZ ARG A 106 11.729 -1.395 6.568 1.00 0.00 C ATOM 414 NH1 ARG A 106 11.764 -0.516 5.605 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.409 -1.190 7.663 1.00 0.00 N ATOM 0 H ARG A 106 6.598 -1.691 4.204 1.00 0.00 H new ATOM 0 HA ARG A 106 7.394 -4.331 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.882 -2.321 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.539 -2.283 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.452 -4.600 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.775 -4.660 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.839 -4.021 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.258 -2.633 4.354 1.00 0.00 H new ATOM 0 HE ARG A 106 10.412 -2.810 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.235 -0.677 4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.321 0.332 5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.384 -1.878 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.965 -0.341 7.766 1.00 0.00 H new ATOM 429 N HIS A 107 6.376 -3.725 6.721 1.00 0.00 N ATOM 430 CA HIS A 107 5.953 -4.354 7.965 1.00 0.00 C ATOM 431 C HIS A 107 4.758 -5.276 7.731 1.00 0.00 C ATOM 432 O HIS A 107 4.696 -6.377 8.275 1.00 0.00 O ATOM 433 CB HIS A 107 5.580 -3.275 8.980 1.00 0.00 C ATOM 434 CG HIS A 107 5.355 -3.907 10.324 1.00 0.00 C ATOM 435 ND1 HIS A 107 4.197 -4.602 10.629 1.00 0.00 N ATOM 436 CD2 HIS A 107 6.131 -3.953 11.455 1.00 0.00 C ATOM 437 CE1 HIS A 107 4.308 -5.033 11.898 1.00 0.00 C ATOM 438 NE2 HIS A 107 5.468 -4.666 12.448 1.00 0.00 N ATOM 0 H HIS A 107 6.247 -2.713 6.694 1.00 0.00 H new ATOM 0 HA HIS A 107 6.778 -4.953 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.374 -2.531 9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.680 -2.752 8.657 1.00 0.00 H new ATOM 0 HD1 HIS A 107 3.405 -4.758 10.006 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.108 -3.504 11.558 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.550 -5.607 12.411 1.00 0.00 H new ATOM 446 N VAL A 108 3.814 -4.817 6.916 1.00 0.00 N ATOM 447 CA VAL A 108 2.624 -5.608 6.612 1.00 0.00 C ATOM 448 C VAL A 108 3.020 -6.895 5.896 1.00 0.00 C ATOM 449 O VAL A 108 2.516 -7.974 6.211 1.00 0.00 O ATOM 450 CB VAL A 108 1.663 -4.785 5.742 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.492 -5.660 5.285 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.126 -3.601 6.559 1.00 0.00 C ATOM 0 H VAL A 108 3.848 -3.907 6.456 1.00 0.00 H new ATOM 0 HA VAL A 108 2.120 -5.870 7.542 1.00 0.00 H new ATOM 0 HB VAL A 108 2.198 -4.417 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.185 -5.069 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.871 -6.501 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.045 -6.034 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.443 -3.015 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.596 -3.974 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.957 -2.973 6.879 1.00 0.00 H new ATOM 462 N MET A 109 3.944 -6.777 4.950 1.00 0.00 N ATOM 463 CA MET A 109 4.422 -7.940 4.215 1.00 0.00 C ATOM 464 C MET A 109 5.128 -8.900 5.172 1.00 0.00 C ATOM 465 O MET A 109 5.020 -10.117 5.040 1.00 0.00 O ATOM 466 CB MET A 109 5.381 -7.494 3.100 1.00 0.00 C ATOM 467 CG MET A 109 4.577 -6.984 1.895 1.00 0.00 C ATOM 468 SD MET A 109 4.096 -8.387 0.859 1.00 0.00 S ATOM 469 CE MET A 109 2.809 -7.540 -0.089 1.00 0.00 C ATOM 0 H MET A 109 4.374 -5.894 4.676 1.00 0.00 H new ATOM 0 HA MET A 109 3.575 -8.455 3.762 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.040 -6.708 3.468 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.016 -8.327 2.799 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.691 -6.448 2.235 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.174 -6.279 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.368 -8.234 -0.804 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.036 -7.178 0.589 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.246 -6.697 -0.624 1.00 0.00 H new ATOM 479 N THR A 110 5.841 -8.339 6.143 1.00 0.00 N ATOM 480 CA THR A 110 6.546 -9.152 7.129 1.00 0.00 C ATOM 481 C THR A 110 5.545 -9.961 7.955 1.00 0.00 C ATOM 482 O THR A 110 5.742 -11.151 8.203 1.00 0.00 O ATOM 483 CB THR A 110 7.383 -8.257 8.042 1.00 0.00 C ATOM 484 OG1 THR A 110 8.139 -7.356 7.244 1.00 0.00 O ATOM 485 CG2 THR A 110 8.333 -9.122 8.872 1.00 0.00 C ATOM 0 H THR A 110 5.946 -7.332 6.269 1.00 0.00 H new ATOM 0 HA THR A 110 7.210 -9.843 6.609 1.00 0.00 H new ATOM 0 HB THR A 110 6.728 -7.697 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.590 -6.574 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.930 -8.484 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.754 -9.819 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.992 -9.680 8.207 1.00 0.00 H new ATOM 493 N ASN A 111 4.464 -9.300 8.367 1.00 0.00 N ATOM 494 CA ASN A 111 3.418 -9.953 9.151 1.00 0.00 C ATOM 495 C ASN A 111 2.825 -11.095 8.338 1.00 0.00 C ATOM 496 O ASN A 111 2.446 -12.140 8.867 1.00 0.00 O ATOM 497 CB ASN A 111 2.304 -8.949 9.457 1.00 0.00 C ATOM 498 CG ASN A 111 2.805 -7.860 10.397 1.00 0.00 C ATOM 499 OD1 ASN A 111 2.399 -6.632 10.220 1.00 0.00 O flip ATOM 500 ND2 ASN A 111 3.584 -8.132 11.310 1.00 0.00 N flip ATOM 0 H ASN A 111 4.290 -8.314 8.171 1.00 0.00 H new ATOM 0 HA ASN A 111 3.846 -10.329 10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.947 -8.500 8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.457 -9.465 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.898 -9.093 11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.916 -7.396 11.933 1.00 0.00 H new ATOM 507 N LEU A 112 2.752 -10.854 7.040 1.00 0.00 N ATOM 508 CA LEU A 112 2.206 -11.809 6.088 1.00 0.00 C ATOM 509 C LEU A 112 3.011 -13.110 6.127 1.00 0.00 C ATOM 510 O LEU A 112 2.464 -14.209 6.039 1.00 0.00 O ATOM 511 CB LEU A 112 2.333 -11.166 4.686 1.00 0.00 C ATOM 512 CG LEU A 112 1.203 -11.570 3.719 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.862 -13.060 3.824 1.00 0.00 C ATOM 514 CD2 LEU A 112 -0.042 -10.717 3.998 1.00 0.00 C ATOM 0 H LEU A 112 3.072 -9.985 6.613 1.00 0.00 H new ATOM 0 HA LEU A 112 1.168 -12.043 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.339 -10.081 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.291 -11.449 4.251 1.00 0.00 H new ATOM 0 HG LEU A 112 1.551 -11.391 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.061 -13.300 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.744 -13.653 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.538 -13.288 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.840 -11.004 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.370 -10.877 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.199 -9.664 3.854 1.00 0.00 H new ATOM 526 N GLY A 113 4.325 -12.955 6.215 1.00 0.00 N ATOM 527 CA GLY A 113 5.239 -14.089 6.202 1.00 0.00 C ATOM 528 C GLY A 113 5.878 -14.145 4.826 1.00 0.00 C ATOM 529 O GLY A 113 6.492 -15.138 4.435 1.00 0.00 O ATOM 0 H GLY A 113 4.784 -12.048 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.000 -13.977 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.704 -15.015 6.414 1.00 0.00 H new ATOM 533 N GLU A 114 5.744 -13.024 4.116 1.00 0.00 N ATOM 534 CA GLU A 114 6.319 -12.866 2.788 1.00 0.00 C ATOM 535 C GLU A 114 7.635 -12.112 2.934 1.00 0.00 C ATOM 536 O GLU A 114 7.707 -11.134 3.680 1.00 0.00 O ATOM 537 CB GLU A 114 5.366 -12.068 1.891 1.00 0.00 C ATOM 538 CG GLU A 114 4.081 -12.867 1.652 1.00 0.00 C ATOM 539 CD GLU A 114 3.127 -12.068 0.772 1.00 0.00 C ATOM 540 OE1 GLU A 114 3.493 -10.975 0.374 1.00 0.00 O ATOM 541 OE2 GLU A 114 2.043 -12.562 0.506 1.00 0.00 O ATOM 0 H GLU A 114 5.235 -12.205 4.448 1.00 0.00 H new ATOM 0 HA GLU A 114 6.484 -13.843 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.128 -11.112 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.849 -11.846 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.318 -13.818 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.604 -13.097 2.604 1.00 0.00 H new ATOM 548 N LYS A 115 8.681 -12.569 2.247 1.00 0.00 N ATOM 549 CA LYS A 115 9.994 -11.926 2.343 1.00 0.00 C ATOM 550 C LYS A 115 10.430 -11.345 1.005 1.00 0.00 C ATOM 551 O LYS A 115 11.081 -12.019 0.206 1.00 0.00 O ATOM 552 CB LYS A 115 11.022 -12.955 2.812 1.00 0.00 C ATOM 553 CG LYS A 115 10.720 -13.336 4.263 1.00 0.00 C ATOM 554 CD LYS A 115 11.624 -14.491 4.705 1.00 0.00 C ATOM 555 CE LYS A 115 13.057 -13.996 4.931 1.00 0.00 C ATOM 556 NZ LYS A 115 13.834 -15.054 5.635 1.00 0.00 N ATOM 0 H LYS A 115 8.648 -13.375 1.623 1.00 0.00 H new ATOM 0 HA LYS A 115 9.923 -11.106 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.987 -13.839 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.029 -12.545 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.874 -12.474 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.674 -13.625 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.237 -14.933 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.619 -15.275 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.527 -13.757 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.049 -13.080 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.808 -14.724 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.387 -15.261 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.850 -15.917 5.055 1.00 0.00 H new ATOM 570 N LEU A 116 10.076 -10.084 0.774 1.00 0.00 N ATOM 571 CA LEU A 116 10.441 -9.401 -0.464 1.00 0.00 C ATOM 572 C LEU A 116 11.730 -8.616 -0.262 1.00 0.00 C ATOM 573 O LEU A 116 12.044 -8.191 0.851 1.00 0.00 O ATOM 574 CB LEU A 116 9.338 -8.425 -0.878 1.00 0.00 C ATOM 575 CG LEU A 116 8.160 -9.180 -1.492 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.700 -10.285 -0.539 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.011 -8.193 -1.724 1.00 0.00 C ATOM 0 H LEU A 116 9.537 -9.515 1.427 1.00 0.00 H new ATOM 0 HA LEU A 116 10.577 -10.152 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.002 -7.857 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.731 -7.706 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 116 8.463 -9.630 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.860 -10.820 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.521 -10.980 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.390 -9.843 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.163 -8.719 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.713 -7.752 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.339 -7.405 -2.402 1.00 0.00 H new ATOM 589 N THR A 117 12.456 -8.401 -1.347 1.00 0.00 N ATOM 590 CA THR A 117 13.693 -7.635 -1.285 1.00 0.00 C ATOM 591 C THR A 117 13.380 -6.152 -1.330 1.00 0.00 C ATOM 592 O THR A 117 12.251 -5.755 -1.620 1.00 0.00 O ATOM 593 CB THR A 117 14.601 -7.993 -2.461 1.00 0.00 C ATOM 594 OG1 THR A 117 14.122 -7.353 -3.635 1.00 0.00 O ATOM 595 CG2 THR A 117 14.598 -9.502 -2.660 1.00 0.00 C ATOM 0 H THR A 117 12.213 -8.743 -2.277 1.00 0.00 H new ATOM 0 HA THR A 117 14.204 -7.876 -0.353 1.00 0.00 H new ATOM 0 HB THR A 117 15.618 -7.659 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.703 -7.579 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.245 -9.760 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.964 -9.989 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.583 -9.840 -2.868 1.00 0.00 H new ATOM 603 N ASP A 118 14.382 -5.340 -1.058 1.00 0.00 N ATOM 604 CA ASP A 118 14.204 -3.901 -1.084 1.00 0.00 C ATOM 605 C ASP A 118 13.820 -3.459 -2.489 1.00 0.00 C ATOM 606 O ASP A 118 12.979 -2.580 -2.670 1.00 0.00 O ATOM 607 CB ASP A 118 15.509 -3.228 -0.662 1.00 0.00 C ATOM 608 CG ASP A 118 15.312 -1.722 -0.530 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.240 -1.250 -0.873 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.235 -1.062 -0.080 1.00 0.00 O ATOM 0 H ASP A 118 15.324 -5.649 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 118 13.410 -3.615 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.848 -3.641 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.287 -3.436 -1.396 1.00 0.00 H new ATOM 615 N GLU A 119 14.460 -4.069 -3.481 1.00 0.00 N ATOM 616 CA GLU A 119 14.204 -3.732 -4.873 1.00 0.00 C ATOM 617 C GLU A 119 12.783 -4.104 -5.296 1.00 0.00 C ATOM 618 O GLU A 119 12.131 -3.340 -6.008 1.00 0.00 O ATOM 619 CB GLU A 119 15.203 -4.459 -5.766 1.00 0.00 C ATOM 620 CG GLU A 119 15.044 -3.982 -7.212 1.00 0.00 C ATOM 621 CD GLU A 119 16.068 -4.674 -8.102 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.664 -5.636 -7.646 1.00 0.00 O ATOM 623 OE2 GLU A 119 16.239 -4.236 -9.227 1.00 0.00 O ATOM 0 H GLU A 119 15.159 -4.799 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 119 14.315 -2.653 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.219 -4.270 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.041 -5.535 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.036 -4.198 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.175 -2.901 -7.264 1.00 0.00 H new ATOM 630 N GLU A 120 12.283 -5.257 -4.849 1.00 0.00 N ATOM 631 CA GLU A 120 10.923 -5.643 -5.206 1.00 0.00 C ATOM 632 C GLU A 120 9.953 -4.665 -4.576 1.00 0.00 C ATOM 633 O GLU A 120 9.015 -4.189 -5.215 1.00 0.00 O ATOM 634 CB GLU A 120 10.613 -7.061 -4.720 1.00 0.00 C ATOM 635 CG GLU A 120 11.340 -8.069 -5.606 1.00 0.00 C ATOM 636 CD GLU A 120 10.704 -8.107 -6.993 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.555 -7.710 -7.108 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.376 -8.530 -7.919 1.00 0.00 O ATOM 0 H GLU A 120 12.783 -5.920 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 120 10.823 -5.625 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.927 -7.179 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.538 -7.241 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.393 -7.799 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.299 -9.059 -5.152 1.00 0.00 H new ATOM 645 N VAL A 121 10.207 -4.365 -3.309 1.00 0.00 N ATOM 646 CA VAL A 121 9.382 -3.436 -2.562 1.00 0.00 C ATOM 647 C VAL A 121 9.416 -2.060 -3.219 1.00 0.00 C ATOM 648 O VAL A 121 8.376 -1.444 -3.442 1.00 0.00 O ATOM 649 CB VAL A 121 9.925 -3.353 -1.133 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.254 -2.211 -0.367 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.662 -4.674 -0.413 1.00 0.00 C ATOM 0 H VAL A 121 10.984 -4.757 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 121 8.348 -3.781 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 121 10.997 -3.161 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.653 -2.169 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.451 -1.267 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.178 -2.383 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.048 -4.617 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.589 -4.865 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.161 -5.484 -0.945 1.00 0.00 H new ATOM 661 N ASP A 122 10.618 -1.582 -3.533 1.00 0.00 N ATOM 662 CA ASP A 122 10.765 -0.278 -4.171 1.00 0.00 C ATOM 663 C ASP A 122 10.138 -0.269 -5.567 1.00 0.00 C ATOM 664 O ASP A 122 9.369 0.630 -5.901 1.00 0.00 O ATOM 665 CB ASP A 122 12.248 0.082 -4.273 1.00 0.00 C ATOM 666 CG ASP A 122 12.800 0.421 -2.890 1.00 0.00 C ATOM 667 OD1 ASP A 122 12.003 0.621 -1.987 1.00 0.00 O ATOM 668 OD2 ASP A 122 14.010 0.472 -2.755 1.00 0.00 O ATOM 0 H ASP A 122 11.495 -2.073 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 122 10.246 0.459 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.804 -0.752 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.379 0.931 -4.944 1.00 0.00 H new ATOM 673 N GLU A 123 10.484 -1.264 -6.383 1.00 0.00 N ATOM 674 CA GLU A 123 9.959 -1.343 -7.747 1.00 0.00 C ATOM 675 C GLU A 123 8.437 -1.313 -7.750 1.00 0.00 C ATOM 676 O GLU A 123 7.823 -0.607 -8.549 1.00 0.00 O ATOM 677 CB GLU A 123 10.444 -2.632 -8.419 1.00 0.00 C ATOM 678 CG GLU A 123 11.921 -2.489 -8.792 1.00 0.00 C ATOM 679 CD GLU A 123 12.064 -1.571 -10.001 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.051 -1.238 -10.593 1.00 0.00 O ATOM 681 OE2 GLU A 123 13.188 -1.216 -10.319 1.00 0.00 O ATOM 0 H GLU A 123 11.119 -2.020 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 123 10.325 -0.478 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.308 -3.479 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.851 -2.835 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.481 -2.084 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.345 -3.468 -9.015 1.00 0.00 H new ATOM 688 N MET A 124 7.835 -2.073 -6.848 1.00 0.00 N ATOM 689 CA MET A 124 6.385 -2.116 -6.747 1.00 0.00 C ATOM 690 C MET A 124 5.845 -0.757 -6.325 1.00 0.00 C ATOM 691 O MET A 124 4.842 -0.272 -6.847 1.00 0.00 O ATOM 692 CB MET A 124 5.984 -3.176 -5.719 1.00 0.00 C ATOM 693 CG MET A 124 4.467 -3.171 -5.520 1.00 0.00 C ATOM 694 SD MET A 124 3.933 -4.810 -4.960 1.00 0.00 S ATOM 695 CE MET A 124 3.987 -4.485 -3.182 1.00 0.00 C ATOM 0 H MET A 124 8.326 -2.666 -6.178 1.00 0.00 H new ATOM 0 HA MET A 124 5.964 -2.370 -7.720 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.311 -4.160 -6.054 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.483 -2.980 -4.770 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.187 -2.414 -4.787 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.967 -2.912 -6.453 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.988 -5.430 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.892 -3.927 -2.941 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.113 -3.901 -2.892 1.00 0.00 H new ATOM 705 N ILE A 125 6.539 -0.157 -5.375 1.00 0.00 N ATOM 706 CA ILE A 125 6.172 1.152 -4.851 1.00 0.00 C ATOM 707 C ILE A 125 6.336 2.238 -5.921 1.00 0.00 C ATOM 708 O ILE A 125 5.452 3.075 -6.104 1.00 0.00 O ATOM 709 CB ILE A 125 7.049 1.437 -3.615 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.502 0.663 -2.392 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.119 2.935 -3.303 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.090 1.136 -1.999 1.00 0.00 C ATOM 0 H ILE A 125 7.371 -0.560 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 125 5.121 1.158 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 125 8.061 1.099 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.478 -0.403 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.178 0.795 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.746 3.095 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.545 3.465 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.116 3.313 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.743 0.567 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.118 2.196 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.408 0.980 -2.835 1.00 0.00 H new ATOM 724 N ARG A 126 7.460 2.217 -6.632 1.00 0.00 N ATOM 725 CA ARG A 126 7.706 3.203 -7.684 1.00 0.00 C ATOM 726 C ARG A 126 6.733 2.982 -8.837 1.00 0.00 C ATOM 727 O ARG A 126 6.268 3.930 -9.471 1.00 0.00 O ATOM 728 CB ARG A 126 9.147 3.093 -8.205 1.00 0.00 C ATOM 729 CG ARG A 126 9.484 4.304 -9.106 1.00 0.00 C ATOM 730 CD ARG A 126 10.004 5.475 -8.257 1.00 0.00 C ATOM 731 NE ARG A 126 10.202 6.661 -9.091 1.00 0.00 N ATOM 732 CZ ARG A 126 11.358 6.893 -9.715 1.00 0.00 C ATOM 733 NH1 ARG A 126 11.858 5.995 -10.518 1.00 0.00 N ATOM 734 NH2 ARG A 126 11.987 8.021 -9.526 1.00 0.00 N ATOM 0 H ARG A 126 8.209 1.536 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 126 7.559 4.198 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.842 3.050 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.268 2.167 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.235 4.019 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.596 4.613 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.295 5.698 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.944 5.197 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 126 9.437 7.327 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.365 5.115 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.742 6.173 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.595 8.725 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.871 8.198 -10.003 1.00 0.00 H new ATOM 748 N GLU A 127 6.432 1.715 -9.091 1.00 0.00 N ATOM 749 CA GLU A 127 5.512 1.345 -10.160 1.00 0.00 C ATOM 750 C GLU A 127 4.087 1.774 -9.814 1.00 0.00 C ATOM 751 O GLU A 127 3.345 2.250 -10.670 1.00 0.00 O ATOM 752 CB GLU A 127 5.566 -0.170 -10.371 1.00 0.00 C ATOM 753 CG GLU A 127 4.661 -0.569 -11.540 1.00 0.00 C ATOM 754 CD GLU A 127 4.769 -2.070 -11.782 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.703 -2.666 -11.271 1.00 0.00 O ATOM 756 OE2 GLU A 127 3.917 -2.602 -12.472 1.00 0.00 O ATOM 0 H GLU A 127 6.812 0.924 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 127 5.809 1.853 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.591 -0.481 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.249 -0.683 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.628 -0.299 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.950 -0.024 -12.439 1.00 0.00 H new ATOM 763 N ALA A 128 3.721 1.606 -8.548 1.00 0.00 N ATOM 764 CA ALA A 128 2.385 1.989 -8.097 1.00 0.00 C ATOM 765 C ALA A 128 2.290 3.501 -7.931 1.00 0.00 C ATOM 766 O ALA A 128 1.196 4.059 -7.938 1.00 0.00 O ATOM 767 CB ALA A 128 2.041 1.308 -6.770 1.00 0.00 C ATOM 0 H ALA A 128 4.321 1.212 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 128 1.672 1.665 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.042 1.609 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.071 0.226 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.765 1.604 -6.011 1.00 0.00 H new ATOM 773 N ASP A 129 3.442 4.162 -7.797 1.00 0.00 N ATOM 774 CA ASP A 129 3.483 5.619 -7.638 1.00 0.00 C ATOM 775 C ASP A 129 3.757 6.292 -8.978 1.00 0.00 C ATOM 776 O ASP A 129 4.726 5.966 -9.665 1.00 0.00 O ATOM 777 CB ASP A 129 4.563 6.012 -6.629 1.00 0.00 C ATOM 778 CG ASP A 129 4.090 5.681 -5.218 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.154 6.322 -4.766 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.660 4.789 -4.614 1.00 0.00 O ATOM 0 H ASP A 129 4.358 3.713 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 129 2.514 5.953 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.489 5.480 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.780 7.077 -6.710 1.00 0.00 H new ATOM 785 N VAL A 130 2.874 7.212 -9.353 1.00 0.00 N ATOM 786 CA VAL A 130 2.981 7.923 -10.622 1.00 0.00 C ATOM 787 C VAL A 130 2.886 9.413 -10.391 1.00 0.00 C ATOM 788 O VAL A 130 3.329 10.213 -11.217 1.00 0.00 O ATOM 789 CB VAL A 130 1.847 7.479 -11.546 1.00 0.00 C ATOM 790 CG1 VAL A 130 2.133 6.071 -12.056 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.524 7.470 -10.766 1.00 0.00 C ATOM 0 H VAL A 130 2.069 7.485 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 130 3.943 7.695 -11.081 1.00 0.00 H new ATOM 0 HB VAL A 130 1.774 8.169 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 130 1.326 5.752 -12.715 1.00 0.00 H new ATOM 0 HG12 VAL A 130 3.074 6.067 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.204 5.386 -11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.285 7.153 -11.425 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.601 6.778 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.316 8.472 -10.392 1.00 0.00 H new ATOM 801 N ASP A 131 2.347 9.783 -9.242 1.00 0.00 N ATOM 802 CA ASP A 131 2.246 11.182 -8.895 1.00 0.00 C ATOM 803 C ASP A 131 3.619 11.641 -8.449 1.00 0.00 C ATOM 804 O ASP A 131 3.886 12.833 -8.303 1.00 0.00 O ATOM 805 CB ASP A 131 1.235 11.373 -7.767 1.00 0.00 C ATOM 806 CG ASP A 131 1.716 10.647 -6.515 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.725 9.966 -6.601 1.00 0.00 O ATOM 808 OD2 ASP A 131 1.068 10.783 -5.490 1.00 0.00 O ATOM 0 H ASP A 131 1.977 9.139 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 131 1.907 11.765 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.107 12.435 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.261 10.989 -8.070 1.00 0.00 H new ATOM 813 N GLY A 132 4.489 10.653 -8.240 1.00 0.00 N ATOM 814 CA GLY A 132 5.847 10.928 -7.809 1.00 0.00 C ATOM 815 C GLY A 132 5.881 11.403 -6.357 1.00 0.00 C ATOM 816 O GLY A 132 6.119 12.579 -6.082 1.00 0.00 O ATOM 0 H GLY A 132 4.274 9.664 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.454 10.029 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.289 11.688 -8.453 1.00 0.00 H new ATOM 820 N ASP A 133 5.645 10.473 -5.429 1.00 0.00 N ATOM 821 CA ASP A 133 5.653 10.800 -3.998 1.00 0.00 C ATOM 822 C ASP A 133 6.252 9.658 -3.178 1.00 0.00 C ATOM 823 O ASP A 133 6.779 9.880 -2.088 1.00 0.00 O ATOM 824 CB ASP A 133 4.228 11.070 -3.517 1.00 0.00 C ATOM 825 CG ASP A 133 3.374 9.824 -3.713 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.844 8.907 -4.367 1.00 0.00 O ATOM 827 OD2 ASP A 133 2.263 9.804 -3.211 1.00 0.00 O ATOM 0 H ASP A 133 5.447 9.494 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 133 6.266 11.691 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.237 11.354 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.800 11.906 -4.070 1.00 0.00 H new ATOM 832 N GLY A 134 6.161 8.440 -3.701 1.00 0.00 N ATOM 833 CA GLY A 134 6.695 7.274 -2.996 1.00 0.00 C ATOM 834 C GLY A 134 5.686 6.747 -1.982 1.00 0.00 C ATOM 835 O GLY A 134 5.977 5.829 -1.217 1.00 0.00 O ATOM 0 H GLY A 134 5.728 8.232 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.940 6.490 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.621 7.543 -2.488 1.00 0.00 H new ATOM 839 N GLN A 135 4.488 7.326 -2.001 1.00 0.00 N ATOM 840 CA GLN A 135 3.410 6.914 -1.102 1.00 0.00 C ATOM 841 C GLN A 135 2.188 6.544 -1.917 1.00 0.00 C ATOM 842 O GLN A 135 1.869 7.203 -2.905 1.00 0.00 O ATOM 843 CB GLN A 135 3.047 8.053 -0.139 1.00 0.00 C ATOM 844 CG GLN A 135 4.047 8.110 1.005 1.00 0.00 C ATOM 845 CD GLN A 135 3.878 9.406 1.791 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.982 10.494 1.225 1.00 0.00 O ATOM 847 NE2 GLN A 135 3.633 9.354 3.071 1.00 0.00 N ATOM 0 H GLN A 135 4.237 8.087 -2.633 1.00 0.00 H new ATOM 0 HA GLN A 135 3.748 6.055 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.040 9.003 -0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.042 7.901 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.904 7.255 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.062 8.044 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.547 8.451 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.527 10.216 3.605 1.00 0.00 H new ATOM 856 N ILE A 136 1.495 5.494 -1.498 1.00 0.00 N ATOM 857 CA ILE A 136 0.300 5.062 -2.204 1.00 0.00 C ATOM 858 C ILE A 136 -0.915 5.614 -1.477 1.00 0.00 C ATOM 859 O ILE A 136 -1.239 5.182 -0.370 1.00 0.00 O ATOM 860 CB ILE A 136 0.253 3.517 -2.256 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.112 3.000 -3.415 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.180 3.021 -2.448 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.583 3.263 -3.110 1.00 0.00 C ATOM 0 H ILE A 136 1.737 4.932 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 136 0.309 5.435 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 136 0.640 3.141 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.944 1.933 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.827 3.496 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.187 1.932 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.798 3.362 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.579 3.415 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.196 2.896 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.743 4.334 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.862 2.747 -2.191 1.00 0.00 H new ATOM 875 N ASN A 137 -1.608 6.538 -2.122 1.00 0.00 N ATOM 876 CA ASN A 137 -2.809 7.103 -1.545 1.00 0.00 C ATOM 877 C ASN A 137 -3.943 6.130 -1.815 1.00 0.00 C ATOM 878 O ASN A 137 -3.797 5.230 -2.643 1.00 0.00 O ATOM 879 CB ASN A 137 -3.096 8.469 -2.170 1.00 0.00 C ATOM 880 CG ASN A 137 -4.337 9.090 -1.538 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.519 8.753 -1.974 1.00 0.00 O flip ATOM 882 ND2 ASN A 137 -4.226 9.904 -0.622 1.00 0.00 N flip ATOM 0 H ASN A 137 -1.359 6.909 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.695 7.253 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.239 9.128 -2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.242 8.361 -3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.301 10.166 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.059 10.316 -0.202 1.00 0.00 H new ATOM 889 N TYR A 138 -5.054 6.271 -1.118 1.00 0.00 N ATOM 890 CA TYR A 138 -6.153 5.341 -1.323 1.00 0.00 C ATOM 891 C TYR A 138 -6.540 5.271 -2.800 1.00 0.00 C ATOM 892 O TYR A 138 -6.723 4.184 -3.344 1.00 0.00 O ATOM 893 CB TYR A 138 -7.368 5.748 -0.488 1.00 0.00 C ATOM 894 CG TYR A 138 -8.501 4.817 -0.831 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.405 3.464 -0.497 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.625 5.294 -1.515 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.431 2.585 -0.847 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.657 4.417 -1.858 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.560 3.061 -1.527 1.00 0.00 C ATOM 900 OH TYR A 138 -11.573 2.192 -1.873 1.00 0.00 O ATOM 0 H TYR A 138 -5.220 6.999 -0.423 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.818 4.354 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.136 5.691 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.646 6.781 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.537 3.098 0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.695 6.339 -1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.355 1.538 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.529 4.785 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.407 2.692 -1.990 1.00 0.00 H new ATOM 910 N GLU A 139 -6.672 6.422 -3.447 1.00 0.00 N ATOM 911 CA GLU A 139 -7.049 6.440 -4.856 1.00 0.00 C ATOM 912 C GLU A 139 -6.065 5.623 -5.693 1.00 0.00 C ATOM 913 O GLU A 139 -6.466 4.870 -6.580 1.00 0.00 O ATOM 914 CB GLU A 139 -7.090 7.882 -5.363 1.00 0.00 C ATOM 915 CG GLU A 139 -5.674 8.452 -5.396 1.00 0.00 C ATOM 916 CD GLU A 139 -5.721 9.961 -5.597 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.632 10.421 -6.266 1.00 0.00 O ATOM 918 OE2 GLU A 139 -4.846 10.635 -5.080 1.00 0.00 O ATOM 0 H GLU A 139 -6.527 7.341 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.038 5.992 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.530 7.916 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.722 8.489 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.158 8.217 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.106 7.988 -6.202 1.00 0.00 H new ATOM 925 N GLU A 140 -4.778 5.775 -5.407 1.00 0.00 N ATOM 926 CA GLU A 140 -3.751 5.045 -6.141 1.00 0.00 C ATOM 927 C GLU A 140 -3.825 3.560 -5.804 1.00 0.00 C ATOM 928 O GLU A 140 -3.668 2.702 -6.674 1.00 0.00 O ATOM 929 CB GLU A 140 -2.377 5.601 -5.779 1.00 0.00 C ATOM 930 CG GLU A 140 -1.329 5.111 -6.776 1.00 0.00 C ATOM 931 CD GLU A 140 -0.015 5.842 -6.531 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.670 5.486 -5.588 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.288 6.745 -7.292 1.00 0.00 O ATOM 0 H GLU A 140 -4.422 6.392 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.915 5.166 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.407 6.691 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.104 5.288 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.185 4.036 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.671 5.287 -7.796 1.00 0.00 H new ATOM 940 N PHE A 141 -4.099 3.266 -4.536 1.00 0.00 N ATOM 941 CA PHE A 141 -4.233 1.886 -4.088 1.00 0.00 C ATOM 942 C PHE A 141 -5.353 1.226 -4.879 1.00 0.00 C ATOM 943 O PHE A 141 -5.265 0.068 -5.286 1.00 0.00 O ATOM 944 CB PHE A 141 -4.552 1.841 -2.592 1.00 0.00 C ATOM 945 CG PHE A 141 -4.764 0.408 -2.147 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.688 -0.495 -2.109 1.00 0.00 C ATOM 947 CD2 PHE A 141 -6.041 -0.019 -1.768 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.897 -1.815 -1.694 1.00 0.00 C ATOM 949 CE2 PHE A 141 -6.247 -1.336 -1.354 1.00 0.00 C ATOM 950 CZ PHE A 141 -5.178 -2.234 -1.318 1.00 0.00 C ATOM 0 H PHE A 141 -4.232 3.963 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.296 1.354 -4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.736 2.289 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.445 2.430 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.700 -0.170 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.870 0.672 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.070 -2.510 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.234 -1.661 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.340 -3.253 -1.000 1.00 0.00 H new ATOM 960 N VAL A 142 -6.409 1.991 -5.091 1.00 0.00 N ATOM 961 CA VAL A 142 -7.558 1.521 -5.843 1.00 0.00 C ATOM 962 C VAL A 142 -7.163 1.267 -7.303 1.00 0.00 C ATOM 963 O VAL A 142 -7.586 0.282 -7.907 1.00 0.00 O ATOM 964 CB VAL A 142 -8.680 2.563 -5.760 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.847 2.139 -6.657 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.164 2.691 -4.300 1.00 0.00 C ATOM 0 H VAL A 142 -6.494 2.948 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.914 0.583 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.300 3.527 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.642 2.882 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.503 2.060 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.227 1.172 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.961 3.432 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.540 1.728 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.333 3.004 -3.667 1.00 0.00 H new ATOM 976 N LYS A 143 -6.359 2.174 -7.863 1.00 0.00 N ATOM 977 CA LYS A 143 -5.915 2.062 -9.255 1.00 0.00 C ATOM 978 C LYS A 143 -5.101 0.783 -9.485 1.00 0.00 C ATOM 979 O LYS A 143 -5.350 0.050 -10.442 1.00 0.00 O ATOM 980 CB LYS A 143 -5.047 3.282 -9.596 1.00 0.00 C ATOM 981 CG LYS A 143 -4.733 3.335 -11.104 1.00 0.00 C ATOM 982 CD LYS A 143 -5.886 4.000 -11.867 1.00 0.00 C ATOM 983 CE LYS A 143 -5.482 4.195 -13.327 1.00 0.00 C ATOM 984 NZ LYS A 143 -4.415 5.233 -13.413 1.00 0.00 N ATOM 0 H LYS A 143 -6.002 2.995 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.795 2.021 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.563 4.194 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.117 3.241 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -3.810 3.890 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -4.571 2.326 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -6.782 3.382 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -6.130 4.961 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -5.124 3.254 -13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -6.347 4.497 -13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.398 5.635 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -4.609 5.988 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -3.493 4.801 -13.202 1.00 0.00 H new ATOM 998 N VAL A 144 -4.126 0.521 -8.614 1.00 0.00 N ATOM 999 CA VAL A 144 -3.290 -0.671 -8.751 1.00 0.00 C ATOM 1000 C VAL A 144 -4.058 -1.943 -8.393 1.00 0.00 C ATOM 1001 O VAL A 144 -3.909 -2.974 -9.047 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.067 -0.547 -7.843 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.234 0.660 -8.272 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -2.523 -0.353 -6.398 1.00 0.00 C ATOM 0 H VAL A 144 -3.897 1.111 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.980 -0.743 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.467 -1.453 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.362 0.749 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.908 0.529 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -1.837 1.565 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.651 -0.265 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -3.123 0.554 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.121 -1.210 -6.087 1.00 0.00 H new ATOM 1014 N MET A 145 -4.867 -1.862 -7.343 1.00 0.00 N ATOM 1015 CA MET A 145 -5.641 -3.017 -6.899 1.00 0.00 C ATOM 1016 C MET A 145 -6.749 -3.347 -7.887 1.00 0.00 C ATOM 1017 O MET A 145 -6.953 -4.506 -8.248 1.00 0.00 O ATOM 1018 CB MET A 145 -6.256 -2.740 -5.525 1.00 0.00 C ATOM 1019 CG MET A 145 -6.941 -4.013 -4.969 1.00 0.00 C ATOM 1020 SD MET A 145 -6.579 -4.184 -3.201 1.00 0.00 S ATOM 1021 CE MET A 145 -5.109 -5.228 -3.367 1.00 0.00 C ATOM 0 H MET A 145 -5.004 -1.018 -6.787 1.00 0.00 H new ATOM 0 HA MET A 145 -4.964 -3.869 -6.836 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.482 -2.406 -4.834 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.984 -1.933 -5.602 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.018 -3.955 -5.125 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.588 -4.892 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.714 -5.460 -2.378 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.376 -6.154 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.351 -4.700 -3.946 1.00 0.00 H new ATOM 1031 N MET A 146 -7.459 -2.316 -8.314 1.00 0.00 N ATOM 1032 CA MET A 146 -8.553 -2.498 -9.263 1.00 0.00 C ATOM 1033 C MET A 146 -8.018 -2.955 -10.617 1.00 0.00 C ATOM 1034 O MET A 146 -8.594 -3.835 -11.257 1.00 0.00 O ATOM 1035 CB MET A 146 -9.330 -1.189 -9.434 1.00 0.00 C ATOM 1036 CG MET A 146 -10.517 -1.414 -10.375 1.00 0.00 C ATOM 1037 SD MET A 146 -11.495 0.107 -10.489 1.00 0.00 S ATOM 1038 CE MET A 146 -12.713 -0.296 -9.210 1.00 0.00 C ATOM 0 H MET A 146 -7.302 -1.351 -8.024 1.00 0.00 H new ATOM 0 HA MET A 146 -9.221 -3.264 -8.870 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.683 -0.835 -8.465 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.675 -0.416 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.161 -1.705 -11.363 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.137 -2.231 -10.006 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.425 0.524 -9.115 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.243 -1.207 -9.487 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.204 -0.447 -8.258 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.916 -2.350 -11.054 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.320 -2.705 -12.339 1.00 0.00 C ATOM 1050 C ALA A 147 -5.662 -4.081 -12.268 1.00 0.00 C ATOM 1051 O ALA A 147 -6.063 -5.007 -12.972 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.279 -1.659 -12.739 1.00 0.00 C ATOM 0 H ALA A 147 -6.422 -1.619 -10.543 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.112 -2.734 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.839 -1.932 -13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.757 -0.683 -12.823 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.497 -1.616 -11.981 1.00 0.00 H new ATOM 1058 N LYS A 148 -4.654 -4.201 -11.404 1.00 0.00 N ATOM 1059 CA LYS A 148 -3.927 -5.464 -11.223 1.00 0.00 C ATOM 1060 C LYS A 148 -3.809 -6.241 -12.533 1.00 0.00 C ATOM 1061 O LYS A 148 -3.700 -5.606 -13.570 1.00 0.00 O ATOM 1062 CB LYS A 148 -4.623 -6.336 -10.167 1.00 0.00 C ATOM 1063 CG LYS A 148 -6.084 -6.570 -10.557 1.00 0.00 C ATOM 1064 CD LYS A 148 -6.724 -7.575 -9.601 1.00 0.00 C ATOM 1065 CE LYS A 148 -8.193 -7.763 -9.984 1.00 0.00 C ATOM 1066 NZ LYS A 148 -8.271 -8.397 -11.331 1.00 0.00 N ATOM 1067 OXT LYS A 148 -3.823 -7.459 -12.478 1.00 0.00 O ATOM 0 H LYS A 148 -4.319 -3.438 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 148 -2.921 -5.214 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.106 -7.291 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -4.572 -5.850 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -6.632 -5.628 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -6.141 -6.941 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -6.198 -8.528 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.646 -7.220 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -8.697 -8.387 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -8.705 -6.801 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.213 -8.817 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.107 -7.677 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.547 -9.140 -11.407 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.105 6.278 6.315 1.00 0.00 CA HETATM 1083 CA CA A 234 1.215 8.174 -5.225 1.00 0.00 CA