USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 91 SXKHOAB : A 91 SXK OAB : A 91 SXK CAN :(short bond) USER MOD Set 1.1: A 86 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.11) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -0.122 USER MOD Set 2.1: A 69 SER OG : rot 101:sc= 1.27 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 45 MET CE :methyl -154:sc= -1.24 (180deg=-1.85) USER MOD Set 3.2: A 60 MET CE :methyl -112:sc= -0.897 (180deg=-4.18!) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.0686 USER MOD Set 4.2: A 16 GLN : amide:sc= -0.94 K(o=-0.87,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0269) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -77:sc= 0.89 USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= 0.876 (180deg=0.0697) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 0.833 (180deg=0.605) USER MOD Single : A 18 ASN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0.214 (180deg=0.178) USER MOD Single : A 35 CYS SG : rot -13:sc= -0.409 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00248 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 2.39 (180deg=2.37) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.4!) USER MOD Single : A 51 ASN : amide:sc= -0.981 K(o=-0.98,f=-6.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.00746 X(o=0.0075,f=0) USER MOD Single : A 80 MET CE :methyl 170:sc= 0 (180deg=-0.143) USER MOD Single : A 81 MET CE :methyl 149:sc= -0.0942 (180deg=-0.872) USER MOD Single : A 84 CYS SG : rot -15:sc= 0.148 USER MOD Single : A 85 MET CE :methyl -163:sc= -2.22! (180deg=-2.55!) USER MOD Single : B 149 SER OG : rot -82:sc= 0.967 USER MOD Single : B 153 MET CE :methyl 140:sc= -0.703 (180deg=-5!) USER MOD Single : B 154 MET CE :methyl -128:sc= -1.97! (180deg=-3.28!) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 163 LYS NZ :NH3+ -166:sc= 0.651 (180deg=0.131) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.030 8.691 12.663 1.00 0.00 N ATOM 2 CA MET A 1 76.634 8.244 12.372 1.00 0.00 C ATOM 3 C MET A 1 76.492 7.891 10.884 1.00 0.00 C ATOM 4 O MET A 1 77.307 8.280 10.069 1.00 0.00 O ATOM 5 CB MET A 1 75.746 9.442 12.733 1.00 0.00 C ATOM 6 CG MET A 1 74.811 9.061 13.885 1.00 0.00 C ATOM 7 SD MET A 1 75.772 8.872 15.408 1.00 0.00 S ATOM 8 CE MET A 1 75.798 10.617 15.887 1.00 0.00 C ATOM 0 H1 MET A 1 78.116 8.927 13.672 1.00 0.00 H new ATOM 0 H2 MET A 1 78.695 7.927 12.429 1.00 0.00 H new ATOM 0 H3 MET A 1 78.252 9.531 12.091 1.00 0.00 H new ATOM 0 HA MET A 1 76.359 7.353 12.937 1.00 0.00 H new ATOM 0 HB2 MET A 1 76.365 10.293 13.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 75.163 9.750 11.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 74.048 9.828 14.017 1.00 0.00 H new ATOM 0 HG3 MET A 1 74.291 8.131 13.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.209 10.712 16.892 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.418 11.177 15.187 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.783 11.014 15.871 1.00 0.00 H new ATOM 20 N ASP A 2 75.468 7.153 10.527 1.00 0.00 N ATOM 21 CA ASP A 2 75.278 6.771 9.093 1.00 0.00 C ATOM 22 C ASP A 2 74.090 7.539 8.485 1.00 0.00 C ATOM 23 O ASP A 2 74.274 8.502 7.763 1.00 0.00 O ATOM 24 CB ASP A 2 75.012 5.258 9.118 1.00 0.00 C ATOM 25 CG ASP A 2 74.763 4.752 7.695 1.00 0.00 C ATOM 26 OD1 ASP A 2 75.723 4.638 6.952 1.00 0.00 O ATOM 27 OD2 ASP A 2 73.617 4.486 7.375 1.00 0.00 O ATOM 0 H ASP A 2 74.757 6.799 11.167 1.00 0.00 H new ATOM 0 HA ASP A 2 76.144 7.015 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.864 4.737 9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.149 5.042 9.747 1.00 0.00 H new ATOM 32 N ASP A 3 72.879 7.125 8.770 1.00 0.00 N ATOM 33 CA ASP A 3 71.688 7.830 8.209 1.00 0.00 C ATOM 34 C ASP A 3 70.663 8.103 9.321 1.00 0.00 C ATOM 35 O ASP A 3 70.465 7.295 10.210 1.00 0.00 O ATOM 36 CB ASP A 3 71.130 6.871 7.147 1.00 0.00 C ATOM 37 CG ASP A 3 69.709 7.280 6.743 1.00 0.00 C ATOM 38 OD1 ASP A 3 69.489 8.456 6.497 1.00 0.00 O ATOM 39 OD2 ASP A 3 68.865 6.404 6.678 1.00 0.00 O ATOM 0 H ASP A 3 72.666 6.327 9.369 1.00 0.00 H new ATOM 0 HA ASP A 3 71.934 8.801 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 3 71.778 6.874 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 3 71.124 5.853 7.536 1.00 0.00 H new ATOM 44 N ILE A 4 70.019 9.243 9.275 1.00 0.00 N ATOM 45 CA ILE A 4 69.007 9.589 10.328 1.00 0.00 C ATOM 46 C ILE A 4 67.787 8.663 10.230 1.00 0.00 C ATOM 47 O ILE A 4 67.237 8.249 11.232 1.00 0.00 O ATOM 48 CB ILE A 4 68.618 11.057 10.072 1.00 0.00 C ATOM 49 CG1 ILE A 4 67.959 11.205 8.691 1.00 0.00 C ATOM 50 CG2 ILE A 4 69.875 11.931 10.137 1.00 0.00 C ATOM 51 CD1 ILE A 4 67.537 12.664 8.472 1.00 0.00 C ATOM 0 H ILE A 4 70.149 9.952 8.553 1.00 0.00 H new ATOM 0 HA ILE A 4 69.410 9.460 11.333 1.00 0.00 H new ATOM 0 HB ILE A 4 67.906 11.374 10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 4 68.655 10.897 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 4 67.090 10.551 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 4 69.605 12.971 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 4 70.330 11.840 11.123 1.00 0.00 H new ATOM 0 HG23 ILE A 4 70.585 11.604 9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 4 67.070 12.765 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 4 66.826 12.957 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 4 68.415 13.308 8.524 1.00 0.00 H new ATOM 63 N TYR A 5 67.373 8.319 9.034 1.00 0.00 N ATOM 64 CA TYR A 5 66.202 7.401 8.882 1.00 0.00 C ATOM 65 C TYR A 5 66.597 5.979 9.314 1.00 0.00 C ATOM 66 O TYR A 5 65.756 5.175 9.670 1.00 0.00 O ATOM 67 CB TYR A 5 65.839 7.452 7.393 1.00 0.00 C ATOM 68 CG TYR A 5 65.159 8.768 7.088 1.00 0.00 C ATOM 69 CD1 TYR A 5 63.850 9.000 7.531 1.00 0.00 C ATOM 70 CD2 TYR A 5 65.838 9.758 6.368 1.00 0.00 C ATOM 71 CE1 TYR A 5 63.222 10.220 7.251 1.00 0.00 C ATOM 72 CE2 TYR A 5 65.210 10.978 6.090 1.00 0.00 C ATOM 73 CZ TYR A 5 63.903 11.209 6.532 1.00 0.00 C ATOM 74 OH TYR A 5 63.286 12.412 6.258 1.00 0.00 O ATOM 0 H TYR A 5 67.794 8.633 8.160 1.00 0.00 H new ATOM 0 HA TYR A 5 65.355 7.694 9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 5 66.737 7.344 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 5 65.180 6.622 7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 5 63.325 8.238 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 5 66.847 9.581 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.212 10.398 7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 5 65.735 11.741 5.534 1.00 0.00 H new ATOM 0 HH TYR A 5 62.648 12.293 5.524 1.00 0.00 H new ATOM 84 N LYS A 6 67.877 5.676 9.305 1.00 0.00 N ATOM 85 CA LYS A 6 68.344 4.323 9.734 1.00 0.00 C ATOM 86 C LYS A 6 68.137 4.159 11.245 1.00 0.00 C ATOM 87 O LYS A 6 67.569 3.184 11.696 1.00 0.00 O ATOM 88 CB LYS A 6 69.837 4.287 9.386 1.00 0.00 C ATOM 89 CG LYS A 6 70.196 2.914 8.813 1.00 0.00 C ATOM 90 CD LYS A 6 70.666 3.070 7.366 1.00 0.00 C ATOM 91 CE LYS A 6 69.452 3.104 6.432 1.00 0.00 C ATOM 92 NZ LYS A 6 69.834 4.030 5.329 1.00 0.00 N ATOM 0 H LYS A 6 68.619 6.314 9.017 1.00 0.00 H new ATOM 0 HA LYS A 6 67.797 3.517 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.071 5.067 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.433 4.489 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.980 2.452 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.330 2.253 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.246 3.986 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.323 2.243 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.221 2.110 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.563 3.459 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.325 3.765 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 69.586 5.005 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 70.859 3.967 5.162 1.00 0.00 H new ATOM 106 N ALA A 7 68.582 5.121 12.027 1.00 0.00 N ATOM 107 CA ALA A 7 68.407 5.042 13.514 1.00 0.00 C ATOM 108 C ALA A 7 66.943 4.731 13.864 1.00 0.00 C ATOM 109 O ALA A 7 66.663 3.965 14.767 1.00 0.00 O ATOM 110 CB ALA A 7 68.802 6.427 14.033 1.00 0.00 C ATOM 0 H ALA A 7 69.060 5.959 11.696 1.00 0.00 H new ATOM 0 HA ALA A 7 69.012 4.252 13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.701 6.451 15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.836 6.636 13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.150 7.181 13.591 1.00 0.00 H new ATOM 116 N ALA A 8 66.012 5.308 13.138 1.00 0.00 N ATOM 117 CA ALA A 8 64.564 5.037 13.403 1.00 0.00 C ATOM 118 C ALA A 8 64.281 3.535 13.253 1.00 0.00 C ATOM 119 O ALA A 8 63.583 2.947 14.054 1.00 0.00 O ATOM 120 CB ALA A 8 63.808 5.841 12.340 1.00 0.00 C ATOM 0 H ALA A 8 66.195 5.956 12.372 1.00 0.00 H new ATOM 0 HA ALA A 8 64.262 5.320 14.411 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.735 5.694 12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.045 6.899 12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.105 5.502 11.348 1.00 0.00 H new ATOM 126 N VAL A 9 64.840 2.913 12.240 1.00 0.00 N ATOM 127 CA VAL A 9 64.630 1.443 12.040 1.00 0.00 C ATOM 128 C VAL A 9 65.302 0.668 13.182 1.00 0.00 C ATOM 129 O VAL A 9 64.739 -0.263 13.725 1.00 0.00 O ATOM 130 CB VAL A 9 65.288 1.125 10.688 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.346 -0.390 10.472 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.469 1.761 9.563 1.00 0.00 C ATOM 0 H VAL A 9 65.434 3.362 11.542 1.00 0.00 H new ATOM 0 HA VAL A 9 63.577 1.161 12.042 1.00 0.00 H new ATOM 0 HB VAL A 9 66.301 1.526 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.814 -0.603 9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.930 -0.849 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.335 -0.798 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.934 1.537 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.456 1.359 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.433 2.841 9.705 1.00 0.00 H new ATOM 142 N GLU A 10 66.497 1.063 13.561 1.00 0.00 N ATOM 143 CA GLU A 10 67.207 0.371 14.685 1.00 0.00 C ATOM 144 C GLU A 10 66.353 0.426 15.960 1.00 0.00 C ATOM 145 O GLU A 10 66.271 -0.533 16.704 1.00 0.00 O ATOM 146 CB GLU A 10 68.508 1.158 14.881 1.00 0.00 C ATOM 147 CG GLU A 10 69.621 0.540 14.027 1.00 0.00 C ATOM 148 CD GLU A 10 69.754 1.312 12.710 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.370 2.366 12.723 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.240 0.833 11.712 1.00 0.00 O ATOM 0 H GLU A 10 67.011 1.836 13.139 1.00 0.00 H new ATOM 0 HA GLU A 10 67.396 -0.680 14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.359 2.201 14.601 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.795 1.148 15.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 70.565 0.565 14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.397 -0.507 13.824 1.00 0.00 H new ATOM 157 N GLN A 11 65.711 1.542 16.208 1.00 0.00 N ATOM 158 CA GLN A 11 64.850 1.671 17.423 1.00 0.00 C ATOM 159 C GLN A 11 63.367 1.701 17.014 1.00 0.00 C ATOM 160 O GLN A 11 62.608 2.545 17.454 1.00 0.00 O ATOM 161 CB GLN A 11 65.269 2.999 18.065 1.00 0.00 C ATOM 162 CG GLN A 11 66.552 2.797 18.878 1.00 0.00 C ATOM 163 CD GLN A 11 66.406 3.473 20.244 1.00 0.00 C ATOM 164 OE1 GLN A 11 65.739 2.962 21.119 1.00 0.00 O ATOM 165 NE2 GLN A 11 67.005 4.610 20.466 1.00 0.00 N ATOM 0 H GLN A 11 65.747 2.373 15.617 1.00 0.00 H new ATOM 0 HA GLN A 11 64.970 0.836 18.113 1.00 0.00 H new ATOM 0 HB2 GLN A 11 65.430 3.752 17.294 1.00 0.00 H new ATOM 0 HB3 GLN A 11 64.472 3.369 18.710 1.00 0.00 H new ATOM 0 HG2 GLN A 11 66.749 1.733 19.007 1.00 0.00 H new ATOM 0 HG3 GLN A 11 67.404 3.216 18.343 1.00 0.00 H new ATOM 0 HE21 GLN A 11 67.567 5.042 19.732 1.00 0.00 H new ATOM 0 HE22 GLN A 11 66.912 5.067 21.373 1.00 0.00 H new ATOM 174 N LEU A 12 62.952 0.782 16.174 1.00 0.00 N ATOM 175 CA LEU A 12 61.520 0.753 15.730 1.00 0.00 C ATOM 176 C LEU A 12 60.647 0.032 16.766 1.00 0.00 C ATOM 177 O LEU A 12 61.131 -0.747 17.566 1.00 0.00 O ATOM 178 CB LEU A 12 61.522 -0.020 14.404 1.00 0.00 C ATOM 179 CG LEU A 12 61.237 0.938 13.242 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.344 0.178 11.920 1.00 0.00 C ATOM 181 CD2 LEU A 12 59.825 1.512 13.376 1.00 0.00 C ATOM 0 H LEU A 12 63.542 0.051 15.777 1.00 0.00 H new ATOM 0 HA LEU A 12 61.112 1.757 15.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 62.487 -0.506 14.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.769 -0.807 14.431 1.00 0.00 H new ATOM 0 HG LEU A 12 61.963 1.751 13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.142 0.858 11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.349 -0.231 11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.618 -0.635 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.629 2.192 12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.099 0.699 13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.740 2.054 14.318 1.00 0.00 H new ATOM 193 N THR A 13 59.363 0.286 16.750 1.00 0.00 N ATOM 194 CA THR A 13 58.447 -0.382 17.729 1.00 0.00 C ATOM 195 C THR A 13 58.113 -1.796 17.268 1.00 0.00 C ATOM 196 O THR A 13 58.133 -2.097 16.088 1.00 0.00 O ATOM 197 CB THR A 13 57.176 0.473 17.772 1.00 0.00 C ATOM 198 OG1 THR A 13 57.474 1.817 17.413 1.00 0.00 O ATOM 199 CG2 THR A 13 56.588 0.443 19.182 1.00 0.00 C ATOM 0 H THR A 13 58.907 0.928 16.101 1.00 0.00 H new ATOM 0 HA THR A 13 58.910 -0.463 18.712 1.00 0.00 H new ATOM 0 HB THR A 13 56.454 0.068 17.063 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.654 2.353 17.442 1.00 0.00 H new ATOM 0 HG21 THR A 13 55.684 1.051 19.212 1.00 0.00 H new ATOM 0 HG22 THR A 13 56.343 -0.584 19.452 1.00 0.00 H new ATOM 0 HG23 THR A 13 57.317 0.841 19.889 1.00 0.00 H new ATOM 207 N GLU A 14 57.801 -2.667 18.195 1.00 0.00 N ATOM 208 CA GLU A 14 57.458 -4.070 17.819 1.00 0.00 C ATOM 209 C GLU A 14 56.266 -4.077 16.853 1.00 0.00 C ATOM 210 O GLU A 14 56.295 -4.732 15.831 1.00 0.00 O ATOM 211 CB GLU A 14 57.103 -4.774 19.134 1.00 0.00 C ATOM 212 CG GLU A 14 56.753 -6.244 18.860 1.00 0.00 C ATOM 213 CD GLU A 14 57.916 -6.934 18.138 1.00 0.00 C ATOM 214 OE1 GLU A 14 58.898 -7.241 18.791 1.00 0.00 O ATOM 215 OE2 GLU A 14 57.804 -7.147 16.941 1.00 0.00 O ATOM 0 H GLU A 14 57.769 -2.466 19.195 1.00 0.00 H new ATOM 0 HA GLU A 14 58.281 -4.573 17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 14 57.942 -4.714 19.827 1.00 0.00 H new ATOM 0 HB3 GLU A 14 56.260 -4.273 19.609 1.00 0.00 H new ATOM 0 HG2 GLU A 14 56.541 -6.757 19.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 55.850 -6.304 18.253 1.00 0.00 H new ATOM 222 N GLU A 15 55.226 -3.336 17.163 1.00 0.00 N ATOM 223 CA GLU A 15 54.036 -3.283 16.253 1.00 0.00 C ATOM 224 C GLU A 15 54.466 -2.809 14.857 1.00 0.00 C ATOM 225 O GLU A 15 54.084 -3.381 13.855 1.00 0.00 O ATOM 226 CB GLU A 15 53.081 -2.270 16.895 1.00 0.00 C ATOM 227 CG GLU A 15 51.688 -2.415 16.273 1.00 0.00 C ATOM 228 CD GLU A 15 50.964 -1.067 16.295 1.00 0.00 C ATOM 229 OE1 GLU A 15 50.504 -0.679 17.356 1.00 0.00 O ATOM 230 OE2 GLU A 15 50.880 -0.446 15.248 1.00 0.00 O ATOM 0 H GLU A 15 55.151 -2.767 18.006 1.00 0.00 H new ATOM 0 HA GLU A 15 53.565 -4.258 16.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 53.029 -2.435 17.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.454 -1.257 16.745 1.00 0.00 H new ATOM 0 HG2 GLU A 15 51.774 -2.775 15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 15 51.110 -3.157 16.824 1.00 0.00 H new ATOM 237 N GLN A 16 55.270 -1.774 14.793 1.00 0.00 N ATOM 238 CA GLN A 16 55.746 -1.259 13.471 1.00 0.00 C ATOM 239 C GLN A 16 56.588 -2.320 12.765 1.00 0.00 C ATOM 240 O GLN A 16 56.392 -2.621 11.604 1.00 0.00 O ATOM 241 CB GLN A 16 56.605 -0.033 13.808 1.00 0.00 C ATOM 242 CG GLN A 16 55.736 1.229 13.842 1.00 0.00 C ATOM 243 CD GLN A 16 54.560 1.033 14.804 1.00 0.00 C ATOM 244 OE1 GLN A 16 54.716 1.142 16.003 1.00 0.00 O ATOM 245 NE2 GLN A 16 53.383 0.745 14.326 1.00 0.00 N ATOM 0 H GLN A 16 55.618 -1.262 15.604 1.00 0.00 H new ATOM 0 HA GLN A 16 54.921 -1.009 12.804 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.091 -0.175 14.773 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.396 0.081 13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.335 2.084 14.157 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.364 1.451 12.842 1.00 0.00 H new ATOM 0 HE21 GLN A 16 53.250 0.653 13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 16 52.594 0.611 14.959 1.00 0.00 H new ATOM 254 N LYS A 17 57.516 -2.884 13.477 1.00 0.00 N ATOM 255 CA LYS A 17 58.398 -3.943 12.894 1.00 0.00 C ATOM 256 C LYS A 17 57.557 -5.144 12.444 1.00 0.00 C ATOM 257 O LYS A 17 57.691 -5.621 11.333 1.00 0.00 O ATOM 258 CB LYS A 17 59.346 -4.340 14.032 1.00 0.00 C ATOM 259 CG LYS A 17 60.276 -5.465 13.564 1.00 0.00 C ATOM 260 CD LYS A 17 59.883 -6.779 14.247 1.00 0.00 C ATOM 261 CE LYS A 17 60.937 -7.147 15.297 1.00 0.00 C ATOM 262 NZ LYS A 17 60.340 -8.272 16.072 1.00 0.00 N ATOM 0 H LYS A 17 57.709 -2.658 14.453 1.00 0.00 H new ATOM 0 HA LYS A 17 58.942 -3.593 12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.933 -3.477 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 58.772 -4.667 14.899 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.214 -5.574 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.311 -5.216 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 17 58.905 -6.678 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 17 59.799 -7.575 13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.874 -7.446 14.827 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.162 -6.299 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.896 -8.432 16.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.360 -8.035 16.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 60.347 -9.135 15.492 1.00 0.00 H new ATOM 276 N ASN A 18 56.687 -5.629 13.298 1.00 0.00 N ATOM 277 CA ASN A 18 55.826 -6.795 12.924 1.00 0.00 C ATOM 278 C ASN A 18 54.927 -6.428 11.735 1.00 0.00 C ATOM 279 O ASN A 18 54.722 -7.222 10.837 1.00 0.00 O ATOM 280 CB ASN A 18 54.980 -7.093 14.168 1.00 0.00 C ATOM 281 CG ASN A 18 55.141 -8.563 14.559 1.00 0.00 C ATOM 282 OD1 ASN A 18 54.550 -9.431 13.952 1.00 0.00 O ATOM 283 ND2 ASN A 18 55.921 -8.882 15.553 1.00 0.00 N ATOM 0 H ASN A 18 56.536 -5.267 14.239 1.00 0.00 H new ATOM 0 HA ASN A 18 56.416 -7.660 12.623 1.00 0.00 H new ATOM 0 HB2 ASN A 18 55.289 -6.451 14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 18 53.931 -6.872 13.968 1.00 0.00 H new ATOM 0 HD21 ASN A 18 56.034 -9.860 15.819 1.00 0.00 H new ATOM 0 HD22 ASN A 18 56.419 -8.154 16.065 1.00 0.00 H new ATOM 290 N GLU A 19 54.399 -5.226 11.722 1.00 0.00 N ATOM 291 CA GLU A 19 53.521 -4.799 10.587 1.00 0.00 C ATOM 292 C GLU A 19 54.328 -4.768 9.282 1.00 0.00 C ATOM 293 O GLU A 19 53.915 -5.318 8.279 1.00 0.00 O ATOM 294 CB GLU A 19 53.036 -3.392 10.951 1.00 0.00 C ATOM 295 CG GLU A 19 51.664 -3.474 11.633 1.00 0.00 C ATOM 296 CD GLU A 19 50.586 -3.805 10.597 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.165 -2.898 9.897 1.00 0.00 O ATOM 298 OE2 GLU A 19 50.198 -4.959 10.523 1.00 0.00 O ATOM 0 H GLU A 19 54.539 -4.523 12.448 1.00 0.00 H new ATOM 0 HA GLU A 19 52.687 -5.484 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.754 -2.911 11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.970 -2.777 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.680 -4.237 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.433 -2.527 12.121 1.00 0.00 H new ATOM 305 N PHE A 20 55.481 -4.138 9.291 1.00 0.00 N ATOM 306 CA PHE A 20 56.320 -4.083 8.050 1.00 0.00 C ATOM 307 C PHE A 20 56.828 -5.486 7.690 1.00 0.00 C ATOM 308 O PHE A 20 56.942 -5.828 6.530 1.00 0.00 O ATOM 309 CB PHE A 20 57.493 -3.151 8.385 1.00 0.00 C ATOM 310 CG PHE A 20 57.007 -1.721 8.483 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.081 -1.222 7.554 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.481 -0.894 9.507 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.633 0.099 7.653 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.033 0.428 9.605 1.00 0.00 C ATOM 315 CZ PHE A 20 56.109 0.925 8.680 1.00 0.00 C ATOM 0 H PHE A 20 55.876 -3.661 10.102 1.00 0.00 H new ATOM 0 HA PHE A 20 55.754 -3.720 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.951 -3.453 9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.262 -3.230 7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.714 -1.858 6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.194 -1.276 10.223 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.920 0.483 6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.401 1.065 10.396 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.763 1.945 8.757 1.00 0.00 H new ATOM 325 N LYS A 21 57.123 -6.301 8.676 1.00 0.00 N ATOM 326 CA LYS A 21 57.612 -7.689 8.396 1.00 0.00 C ATOM 327 C LYS A 21 56.570 -8.453 7.567 1.00 0.00 C ATOM 328 O LYS A 21 56.872 -8.982 6.515 1.00 0.00 O ATOM 329 CB LYS A 21 57.792 -8.330 9.781 1.00 0.00 C ATOM 330 CG LYS A 21 57.868 -9.858 9.654 1.00 0.00 C ATOM 331 CD LYS A 21 59.279 -10.272 9.215 1.00 0.00 C ATOM 332 CE LYS A 21 59.252 -10.774 7.765 1.00 0.00 C ATOM 333 NZ LYS A 21 58.810 -12.198 7.846 1.00 0.00 N ATOM 0 H LYS A 21 57.046 -6.064 9.665 1.00 0.00 H new ATOM 0 HA LYS A 21 58.539 -7.701 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.701 -7.951 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 21 56.960 -8.053 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.622 -10.324 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 21 57.134 -10.209 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 21 59.959 -9.425 9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 21 59.658 -11.054 9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.566 -10.184 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 21 60.236 -10.694 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 58.574 -12.543 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 59.577 -12.777 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 57.971 -12.267 8.457 1.00 0.00 H new ATOM 347 N ALA A 22 55.350 -8.510 8.036 1.00 0.00 N ATOM 348 CA ALA A 22 54.283 -9.237 7.281 1.00 0.00 C ATOM 349 C ALA A 22 53.985 -8.530 5.949 1.00 0.00 C ATOM 350 O ALA A 22 53.828 -9.169 4.926 1.00 0.00 O ATOM 351 CB ALA A 22 53.063 -9.210 8.202 1.00 0.00 C ATOM 0 H ALA A 22 55.045 -8.084 8.911 1.00 0.00 H new ATOM 0 HA ALA A 22 54.577 -10.255 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 22 52.232 -9.725 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.304 -9.709 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.782 -8.176 8.403 1.00 0.00 H new ATOM 357 N ALA A 23 53.917 -7.218 5.952 1.00 0.00 N ATOM 358 CA ALA A 23 53.641 -6.473 4.681 1.00 0.00 C ATOM 359 C ALA A 23 54.762 -6.732 3.663 1.00 0.00 C ATOM 360 O ALA A 23 54.511 -6.920 2.487 1.00 0.00 O ATOM 361 CB ALA A 23 53.602 -4.994 5.078 1.00 0.00 C ATOM 0 H ALA A 23 54.040 -6.633 6.778 1.00 0.00 H new ATOM 0 HA ALA A 23 52.708 -6.788 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.404 -4.386 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.813 -4.835 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.562 -4.707 5.508 1.00 0.00 H new ATOM 367 N PHE A 24 55.995 -6.755 4.115 1.00 0.00 N ATOM 368 CA PHE A 24 57.142 -7.015 3.187 1.00 0.00 C ATOM 369 C PHE A 24 56.994 -8.399 2.541 1.00 0.00 C ATOM 370 O PHE A 24 57.168 -8.555 1.347 1.00 0.00 O ATOM 371 CB PHE A 24 58.392 -6.964 4.075 1.00 0.00 C ATOM 372 CG PHE A 24 59.629 -7.151 3.228 1.00 0.00 C ATOM 373 CD1 PHE A 24 60.251 -6.041 2.645 1.00 0.00 C ATOM 374 CD2 PHE A 24 60.156 -8.433 3.030 1.00 0.00 C ATOM 375 CE1 PHE A 24 61.397 -6.212 1.862 1.00 0.00 C ATOM 376 CE2 PHE A 24 61.303 -8.603 2.245 1.00 0.00 C ATOM 377 CZ PHE A 24 61.924 -7.493 1.663 1.00 0.00 C ATOM 0 H PHE A 24 56.256 -6.604 5.089 1.00 0.00 H new ATOM 0 HA PHE A 24 57.191 -6.289 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.439 -6.009 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.340 -7.742 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.846 -5.052 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.678 -9.290 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.875 -5.355 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.708 -9.592 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.810 -7.625 1.060 1.00 0.00 H new ATOM 387 N ASP A 25 56.667 -9.400 3.325 1.00 0.00 N ATOM 388 CA ASP A 25 56.497 -10.780 2.768 1.00 0.00 C ATOM 389 C ASP A 25 55.378 -10.794 1.713 1.00 0.00 C ATOM 390 O ASP A 25 55.482 -11.459 0.700 1.00 0.00 O ATOM 391 CB ASP A 25 56.120 -11.655 3.972 1.00 0.00 C ATOM 392 CG ASP A 25 57.373 -12.010 4.787 1.00 0.00 C ATOM 393 OD1 ASP A 25 58.265 -11.180 4.876 1.00 0.00 O ATOM 394 OD2 ASP A 25 57.413 -13.105 5.321 1.00 0.00 O ATOM 0 H ASP A 25 56.510 -9.320 4.330 1.00 0.00 H new ATOM 0 HA ASP A 25 57.400 -11.140 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 25 55.405 -11.128 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 25 55.631 -12.567 3.629 1.00 0.00 H new ATOM 399 N ILE A 26 54.318 -10.054 1.937 1.00 0.00 N ATOM 400 CA ILE A 26 53.200 -10.013 0.938 1.00 0.00 C ATOM 401 C ILE A 26 53.615 -9.167 -0.279 1.00 0.00 C ATOM 402 O ILE A 26 53.129 -9.363 -1.377 1.00 0.00 O ATOM 403 CB ILE A 26 52.018 -9.359 1.673 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.606 -10.227 2.868 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.825 -9.224 0.722 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.827 -9.378 3.876 1.00 0.00 C ATOM 0 H ILE A 26 54.178 -9.477 2.767 1.00 0.00 H new ATOM 0 HA ILE A 26 52.942 -11.005 0.568 1.00 0.00 H new ATOM 0 HB ILE A 26 52.323 -8.372 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.992 -11.062 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.490 -10.653 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.991 -8.760 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.107 -8.604 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.527 -10.211 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.535 -9.997 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.456 -8.558 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.935 -8.973 3.398 1.00 0.00 H new ATOM 418 N PHE A 27 54.510 -8.227 -0.088 1.00 0.00 N ATOM 419 CA PHE A 27 54.960 -7.362 -1.223 1.00 0.00 C ATOM 420 C PHE A 27 55.835 -8.148 -2.208 1.00 0.00 C ATOM 421 O PHE A 27 55.755 -7.949 -3.403 1.00 0.00 O ATOM 422 CB PHE A 27 55.777 -6.241 -0.576 1.00 0.00 C ATOM 423 CG PHE A 27 55.243 -4.904 -1.025 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.431 -4.480 -2.346 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.555 -4.089 -0.119 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.933 -3.239 -2.760 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.058 -2.849 -0.533 1.00 0.00 C ATOM 428 CZ PHE A 27 54.245 -2.425 -1.854 1.00 0.00 C ATOM 0 H PHE A 27 54.949 -8.022 0.809 1.00 0.00 H new ATOM 0 HA PHE A 27 54.111 -6.984 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.725 -6.319 0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.827 -6.336 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.960 -5.110 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.408 -4.417 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.080 -2.910 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.530 -2.218 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.858 -1.469 -2.174 1.00 0.00 H new ATOM 438 N VAL A 28 56.674 -9.029 -1.719 1.00 0.00 N ATOM 439 CA VAL A 28 57.561 -9.817 -2.642 1.00 0.00 C ATOM 440 C VAL A 28 56.806 -10.993 -3.293 1.00 0.00 C ATOM 441 O VAL A 28 57.410 -11.835 -3.935 1.00 0.00 O ATOM 442 CB VAL A 28 58.721 -10.339 -1.779 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.547 -9.163 -1.257 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.182 -11.141 -0.589 1.00 0.00 C ATOM 0 H VAL A 28 56.785 -9.238 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 28 57.914 -9.189 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 28 59.347 -10.986 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.368 -9.538 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.949 -8.599 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.913 -8.513 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.015 -11.504 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.545 -10.502 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.602 -11.989 -0.954 1.00 0.00 H new ATOM 454 N LEU A 29 55.500 -11.060 -3.147 1.00 0.00 N ATOM 455 CA LEU A 29 54.733 -12.180 -3.775 1.00 0.00 C ATOM 456 C LEU A 29 54.710 -12.002 -5.297 1.00 0.00 C ATOM 457 O LEU A 29 53.902 -11.271 -5.840 1.00 0.00 O ATOM 458 CB LEU A 29 53.321 -12.091 -3.189 1.00 0.00 C ATOM 459 CG LEU A 29 53.160 -13.155 -2.106 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.973 -12.800 -1.210 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.915 -14.516 -2.761 1.00 0.00 C ATOM 0 H LEU A 29 54.938 -10.390 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 29 55.180 -13.153 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.150 -11.099 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.579 -12.238 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 29 54.068 -13.198 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.860 -13.561 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.147 -11.831 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.065 -12.755 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 29 52.800 -15.276 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.008 -14.472 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.762 -14.771 -3.398 1.00 0.00 H new ATOM 473 N GLY A 30 55.611 -12.658 -5.976 1.00 0.00 N ATOM 474 CA GLY A 30 55.691 -12.537 -7.462 1.00 0.00 C ATOM 475 C GLY A 30 57.162 -12.572 -7.894 1.00 0.00 C ATOM 476 O GLY A 30 57.478 -12.944 -9.007 1.00 0.00 O ATOM 0 H GLY A 30 56.304 -13.280 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.142 -13.351 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.226 -11.607 -7.788 1.00 0.00 H new ATOM 480 N ALA A 31 58.064 -12.191 -7.017 1.00 0.00 N ATOM 481 CA ALA A 31 59.516 -12.207 -7.369 1.00 0.00 C ATOM 482 C ALA A 31 60.177 -13.479 -6.812 1.00 0.00 C ATOM 483 O ALA A 31 60.332 -14.460 -7.512 1.00 0.00 O ATOM 484 CB ALA A 31 60.097 -10.948 -6.712 1.00 0.00 C ATOM 0 H ALA A 31 57.853 -11.870 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 31 59.687 -12.211 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 31 61.164 -10.886 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 31 59.596 -10.066 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.944 -10.996 -5.634 1.00 0.00 H new ATOM 490 N GLU A 32 60.561 -13.465 -5.560 1.00 0.00 N ATOM 491 CA GLU A 32 61.210 -14.668 -4.942 1.00 0.00 C ATOM 492 C GLU A 32 61.061 -14.632 -3.410 1.00 0.00 C ATOM 493 O GLU A 32 61.873 -15.183 -2.689 1.00 0.00 O ATOM 494 CB GLU A 32 62.699 -14.606 -5.347 1.00 0.00 C ATOM 495 CG GLU A 32 63.174 -13.150 -5.512 1.00 0.00 C ATOM 496 CD GLU A 32 63.075 -12.410 -4.176 1.00 0.00 C ATOM 497 OE1 GLU A 32 63.974 -12.563 -3.366 1.00 0.00 O ATOM 498 OE2 GLU A 32 62.101 -11.699 -3.988 1.00 0.00 O ATOM 0 H GLU A 32 60.453 -12.668 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 32 60.746 -15.593 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 32 63.305 -15.105 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.847 -15.147 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 32 64.203 -13.133 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 32 62.567 -12.644 -6.263 1.00 0.00 H new ATOM 505 N ASP A 33 60.022 -13.991 -2.914 1.00 0.00 N ATOM 506 CA ASP A 33 59.793 -13.907 -1.434 1.00 0.00 C ATOM 507 C ASP A 33 61.054 -13.400 -0.706 1.00 0.00 C ATOM 508 O ASP A 33 61.546 -14.029 0.212 1.00 0.00 O ATOM 509 CB ASP A 33 59.441 -15.340 -1.006 1.00 0.00 C ATOM 510 CG ASP A 33 58.031 -15.687 -1.491 1.00 0.00 C ATOM 511 OD1 ASP A 33 57.085 -15.316 -0.816 1.00 0.00 O ATOM 512 OD2 ASP A 33 57.923 -16.315 -2.530 1.00 0.00 O ATOM 0 H ASP A 33 59.317 -13.518 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 33 59.001 -13.202 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 33 60.163 -16.043 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 33 59.496 -15.431 0.079 1.00 0.00 H new ATOM 517 N GLY A 34 61.582 -12.265 -1.111 1.00 0.00 N ATOM 518 CA GLY A 34 62.811 -11.733 -0.437 1.00 0.00 C ATOM 519 C GLY A 34 63.081 -10.268 -0.822 1.00 0.00 C ATOM 520 O GLY A 34 63.512 -9.485 0.002 1.00 0.00 O ATOM 0 H GLY A 34 61.218 -11.690 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 34 62.696 -11.810 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 34 63.670 -12.346 -0.710 1.00 0.00 H new ATOM 524 N CYS A 35 62.858 -9.892 -2.059 1.00 0.00 N ATOM 525 CA CYS A 35 63.134 -8.480 -2.478 1.00 0.00 C ATOM 526 C CYS A 35 61.991 -7.918 -3.339 1.00 0.00 C ATOM 527 O CYS A 35 61.256 -8.651 -3.973 1.00 0.00 O ATOM 528 CB CYS A 35 64.423 -8.569 -3.301 1.00 0.00 C ATOM 529 SG CYS A 35 65.619 -7.351 -2.699 1.00 0.00 S ATOM 0 H CYS A 35 62.498 -10.500 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 35 63.224 -7.814 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.843 -9.572 -3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.206 -8.390 -4.354 1.00 0.00 H new ATOM 0 HG CYS A 35 65.023 -6.515 -1.901 1.00 0.00 H new ATOM 535 N ILE A 36 61.852 -6.614 -3.374 1.00 0.00 N ATOM 536 CA ILE A 36 60.775 -5.985 -4.201 1.00 0.00 C ATOM 537 C ILE A 36 61.404 -5.177 -5.349 1.00 0.00 C ATOM 538 O ILE A 36 62.255 -4.332 -5.135 1.00 0.00 O ATOM 539 CB ILE A 36 60.009 -5.069 -3.234 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.021 -5.902 -2.413 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.235 -4.006 -4.019 1.00 0.00 C ATOM 542 CD1 ILE A 36 59.430 -5.871 -0.938 1.00 0.00 C ATOM 0 H ILE A 36 62.441 -5.956 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 36 60.114 -6.721 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 36 60.723 -4.581 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.011 -5.508 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.006 -6.930 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.695 -3.362 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.932 -3.406 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.526 -4.493 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.727 -6.464 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 36 60.432 -6.285 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 36 59.422 -4.842 -0.580 1.00 0.00 H new ATOM 554 N SER A 37 60.991 -5.439 -6.563 1.00 0.00 N ATOM 555 CA SER A 37 61.553 -4.700 -7.737 1.00 0.00 C ATOM 556 C SER A 37 60.562 -3.633 -8.229 1.00 0.00 C ATOM 557 O SER A 37 59.583 -3.331 -7.571 1.00 0.00 O ATOM 558 CB SER A 37 61.765 -5.776 -8.807 1.00 0.00 C ATOM 559 OG SER A 37 60.506 -6.142 -9.366 1.00 0.00 O ATOM 0 H SER A 37 60.284 -6.137 -6.794 1.00 0.00 H new ATOM 0 HA SER A 37 62.476 -4.175 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.427 -5.402 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.249 -6.649 -8.370 1.00 0.00 H new ATOM 0 HG SER A 37 60.640 -6.829 -10.052 1.00 0.00 H new ATOM 565 N THR A 38 60.807 -3.065 -9.387 1.00 0.00 N ATOM 566 CA THR A 38 59.878 -2.020 -9.933 1.00 0.00 C ATOM 567 C THR A 38 58.509 -2.638 -10.247 1.00 0.00 C ATOM 568 O THR A 38 57.481 -2.091 -9.893 1.00 0.00 O ATOM 569 CB THR A 38 60.543 -1.505 -11.217 1.00 0.00 C ATOM 570 OG1 THR A 38 60.892 -2.603 -12.049 1.00 0.00 O ATOM 571 CG2 THR A 38 61.802 -0.712 -10.863 1.00 0.00 C ATOM 0 H THR A 38 61.610 -3.279 -9.978 1.00 0.00 H new ATOM 0 HA THR A 38 59.709 -1.215 -9.218 1.00 0.00 H new ATOM 0 HB THR A 38 59.845 -0.857 -11.747 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.315 -2.271 -12.869 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.272 -0.348 -11.777 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.533 0.134 -10.231 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.500 -1.357 -10.329 1.00 0.00 H new ATOM 579 N LYS A 39 58.490 -3.777 -10.899 1.00 0.00 N ATOM 580 CA LYS A 39 57.189 -4.444 -11.229 1.00 0.00 C ATOM 581 C LYS A 39 56.485 -4.890 -9.940 1.00 0.00 C ATOM 582 O LYS A 39 55.278 -4.796 -9.817 1.00 0.00 O ATOM 583 CB LYS A 39 57.565 -5.661 -12.081 1.00 0.00 C ATOM 584 CG LYS A 39 57.679 -5.251 -13.552 1.00 0.00 C ATOM 585 CD LYS A 39 58.579 -6.249 -14.288 1.00 0.00 C ATOM 586 CE LYS A 39 58.736 -5.825 -15.752 1.00 0.00 C ATOM 587 NZ LYS A 39 57.878 -6.771 -16.528 1.00 0.00 N ATOM 0 H LYS A 39 59.321 -4.275 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 39 56.506 -3.777 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.511 -6.079 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.812 -6.441 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.691 -5.227 -14.012 1.00 0.00 H new ATOM 0 HG3 LYS A 39 58.092 -4.245 -13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.556 -6.295 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 58.149 -7.249 -14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.417 -4.793 -15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 39 59.777 -5.886 -16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.936 -6.541 -17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 58.209 -7.745 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.892 -6.686 -16.209 1.00 0.00 H new ATOM 601 N GLU A 40 57.237 -5.367 -8.978 1.00 0.00 N ATOM 602 CA GLU A 40 56.629 -5.812 -7.686 1.00 0.00 C ATOM 603 C GLU A 40 55.999 -4.615 -6.955 1.00 0.00 C ATOM 604 O GLU A 40 55.022 -4.757 -6.242 1.00 0.00 O ATOM 605 CB GLU A 40 57.800 -6.388 -6.881 1.00 0.00 C ATOM 606 CG GLU A 40 57.332 -7.596 -6.063 1.00 0.00 C ATOM 607 CD GLU A 40 56.866 -8.715 -7.000 1.00 0.00 C ATOM 608 OE1 GLU A 40 57.675 -9.182 -7.785 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.708 -9.084 -6.917 1.00 0.00 O ATOM 0 H GLU A 40 58.251 -5.467 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 40 55.834 -6.544 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.604 -6.685 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.206 -5.625 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.145 -7.954 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.518 -7.303 -5.400 1.00 0.00 H new ATOM 616 N LEU A 41 56.549 -3.439 -7.135 1.00 0.00 N ATOM 617 CA LEU A 41 55.987 -2.226 -6.464 1.00 0.00 C ATOM 618 C LEU A 41 54.856 -1.617 -7.307 1.00 0.00 C ATOM 619 O LEU A 41 53.814 -1.259 -6.792 1.00 0.00 O ATOM 620 CB LEU A 41 57.169 -1.250 -6.360 1.00 0.00 C ATOM 621 CG LEU A 41 56.665 0.182 -6.144 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.667 0.225 -4.982 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.854 1.086 -5.827 1.00 0.00 C ATOM 0 H LEU A 41 57.366 -3.267 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 41 55.558 -2.457 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.818 -1.542 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.769 -1.298 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 41 56.165 0.526 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.318 1.248 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.818 -0.421 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.154 -0.122 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.504 2.107 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.350 0.731 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.558 1.066 -6.659 1.00 0.00 H new ATOM 635 N GLY A 42 55.066 -1.480 -8.594 1.00 0.00 N ATOM 636 CA GLY A 42 54.021 -0.873 -9.478 1.00 0.00 C ATOM 637 C GLY A 42 52.662 -1.562 -9.283 1.00 0.00 C ATOM 638 O GLY A 42 51.631 -0.914 -9.281 1.00 0.00 O ATOM 0 H GLY A 42 55.921 -1.764 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.928 0.191 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.329 -0.957 -10.520 1.00 0.00 H new ATOM 642 N LYS A 43 52.648 -2.864 -9.118 1.00 0.00 N ATOM 643 CA LYS A 43 51.348 -3.587 -8.924 1.00 0.00 C ATOM 644 C LYS A 43 50.603 -3.051 -7.684 1.00 0.00 C ATOM 645 O LYS A 43 49.386 -3.032 -7.647 1.00 0.00 O ATOM 646 CB LYS A 43 51.731 -5.070 -8.776 1.00 0.00 C ATOM 647 CG LYS A 43 51.932 -5.445 -7.304 1.00 0.00 C ATOM 648 CD LYS A 43 52.435 -6.890 -7.221 1.00 0.00 C ATOM 649 CE LYS A 43 52.608 -7.296 -5.754 1.00 0.00 C ATOM 650 NZ LYS A 43 54.076 -7.235 -5.505 1.00 0.00 N ATOM 0 H LYS A 43 53.478 -3.457 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 43 50.663 -3.441 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 43 50.951 -5.695 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.646 -5.270 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 52.649 -4.769 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 43 50.995 -5.341 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.729 -7.559 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.384 -6.985 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.067 -6.620 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.219 -8.298 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.268 -7.451 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.560 -7.930 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.426 -6.281 -5.726 1.00 0.00 H new ATOM 664 N VAL A 44 51.321 -2.596 -6.685 1.00 0.00 N ATOM 665 CA VAL A 44 50.653 -2.037 -5.465 1.00 0.00 C ATOM 666 C VAL A 44 50.350 -0.546 -5.679 1.00 0.00 C ATOM 667 O VAL A 44 49.371 -0.030 -5.178 1.00 0.00 O ATOM 668 CB VAL A 44 51.658 -2.222 -4.319 1.00 0.00 C ATOM 669 CG1 VAL A 44 51.094 -1.607 -3.034 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.912 -3.714 -4.090 1.00 0.00 C ATOM 0 H VAL A 44 52.341 -2.587 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 44 49.708 -2.536 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 44 52.593 -1.728 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.809 -1.740 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.914 -0.543 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 44 50.157 -2.100 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.626 -3.841 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.975 -4.207 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.316 -4.158 -5.000 1.00 0.00 H new ATOM 680 N MET A 45 51.184 0.145 -6.423 1.00 0.00 N ATOM 681 CA MET A 45 50.948 1.604 -6.678 1.00 0.00 C ATOM 682 C MET A 45 49.569 1.816 -7.320 1.00 0.00 C ATOM 683 O MET A 45 48.781 2.621 -6.858 1.00 0.00 O ATOM 684 CB MET A 45 52.062 2.028 -7.640 1.00 0.00 C ATOM 685 CG MET A 45 53.381 2.167 -6.875 1.00 0.00 C ATOM 686 SD MET A 45 54.038 3.836 -7.107 1.00 0.00 S ATOM 687 CE MET A 45 55.033 3.900 -5.598 1.00 0.00 C ATOM 0 H MET A 45 52.019 -0.239 -6.865 1.00 0.00 H new ATOM 0 HA MET A 45 50.962 2.189 -5.759 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.168 1.291 -8.436 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.805 2.975 -8.115 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.221 1.971 -5.815 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.100 1.429 -7.231 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.155 4.937 -5.287 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.532 3.341 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 45 56.012 3.461 -5.789 1.00 0.00 H new ATOM 697 N ARG A 46 49.268 1.091 -8.371 1.00 0.00 N ATOM 698 CA ARG A 46 47.932 1.243 -9.033 1.00 0.00 C ATOM 699 C ARG A 46 46.831 0.695 -8.114 1.00 0.00 C ATOM 700 O ARG A 46 45.774 1.283 -7.983 1.00 0.00 O ATOM 701 CB ARG A 46 48.023 0.422 -10.327 1.00 0.00 C ATOM 702 CG ARG A 46 47.366 1.197 -11.473 1.00 0.00 C ATOM 703 CD ARG A 46 45.858 0.928 -11.477 1.00 0.00 C ATOM 704 NE ARG A 46 45.223 2.257 -11.235 1.00 0.00 N ATOM 705 CZ ARG A 46 43.981 2.324 -10.851 1.00 0.00 C ATOM 706 NH1 ARG A 46 43.692 2.266 -9.583 1.00 0.00 N ATOM 707 NH2 ARG A 46 43.030 2.456 -11.733 1.00 0.00 N ATOM 0 H ARG A 46 49.887 0.402 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 46 47.687 2.285 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.066 0.215 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.529 -0.540 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.555 2.264 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.802 0.896 -12.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.536 0.505 -12.429 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.583 0.213 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 46 45.762 3.112 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.438 2.168 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.720 2.318 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.259 2.507 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 46 42.057 2.508 -11.430 1.00 0.00 H new ATOM 721 N MET A 47 47.082 -0.420 -7.468 1.00 0.00 N ATOM 722 CA MET A 47 46.064 -1.009 -6.539 1.00 0.00 C ATOM 723 C MET A 47 45.779 -0.037 -5.382 1.00 0.00 C ATOM 724 O MET A 47 44.655 0.093 -4.935 1.00 0.00 O ATOM 725 CB MET A 47 46.709 -2.301 -6.021 1.00 0.00 C ATOM 726 CG MET A 47 45.780 -2.985 -5.014 1.00 0.00 C ATOM 727 SD MET A 47 46.625 -3.133 -3.419 1.00 0.00 S ATOM 728 CE MET A 47 45.172 -3.567 -2.431 1.00 0.00 C ATOM 0 H MET A 47 47.951 -0.949 -7.545 1.00 0.00 H new ATOM 0 HA MET A 47 45.110 -1.200 -7.030 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.914 -2.974 -6.854 1.00 0.00 H new ATOM 0 HB3 MET A 47 47.666 -2.076 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.862 -2.408 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 47 45.493 -3.971 -5.379 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.468 -3.708 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 47 44.437 -2.765 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.735 -4.490 -2.812 1.00 0.00 H new ATOM 738 N LEU A 48 46.789 0.648 -4.903 1.00 0.00 N ATOM 739 CA LEU A 48 46.590 1.618 -3.786 1.00 0.00 C ATOM 740 C LEU A 48 45.926 2.902 -4.309 1.00 0.00 C ATOM 741 O LEU A 48 44.985 3.403 -3.723 1.00 0.00 O ATOM 742 CB LEU A 48 48.003 1.905 -3.260 1.00 0.00 C ATOM 743 CG LEU A 48 47.959 3.049 -2.244 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.288 2.515 -0.849 1.00 0.00 C ATOM 745 CD2 LEU A 48 48.985 4.114 -2.632 1.00 0.00 C ATOM 0 H LEU A 48 47.748 0.575 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 48 45.938 1.228 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 48 48.416 1.010 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.662 2.167 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 48 46.960 3.486 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 48.255 3.333 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 48 47.558 1.756 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 48 49.285 2.075 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 48 48.954 4.929 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 49.982 3.673 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.751 4.500 -3.624 1.00 0.00 H new ATOM 757 N GLY A 49 46.410 3.440 -5.404 1.00 0.00 N ATOM 758 CA GLY A 49 45.806 4.690 -5.955 1.00 0.00 C ATOM 759 C GLY A 49 46.210 4.872 -7.421 1.00 0.00 C ATOM 760 O GLY A 49 45.466 4.534 -8.323 1.00 0.00 O ATOM 0 H GLY A 49 47.195 3.067 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.720 4.645 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 49 46.134 5.549 -5.370 1.00 0.00 H new ATOM 764 N GLN A 50 47.379 5.414 -7.666 1.00 0.00 N ATOM 765 CA GLN A 50 47.828 5.633 -9.077 1.00 0.00 C ATOM 766 C GLN A 50 49.214 5.021 -9.318 1.00 0.00 C ATOM 767 O GLN A 50 50.083 5.067 -8.468 1.00 0.00 O ATOM 768 CB GLN A 50 47.895 7.154 -9.238 1.00 0.00 C ATOM 769 CG GLN A 50 46.480 7.734 -9.300 1.00 0.00 C ATOM 770 CD GLN A 50 46.554 9.263 -9.325 1.00 0.00 C ATOM 771 OE1 GLN A 50 46.926 9.881 -8.349 1.00 0.00 O ATOM 772 NE2 GLN A 50 46.216 9.903 -10.409 1.00 0.00 N ATOM 0 H GLN A 50 48.041 5.714 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 50 47.150 5.163 -9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.441 7.593 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.442 7.409 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 50 45.965 7.370 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.901 7.402 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 50 45.903 9.385 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 50 46.264 10.921 -10.436 1.00 0.00 H new ATOM 781 N ASN A 51 49.428 4.469 -10.485 1.00 0.00 N ATOM 782 CA ASN A 51 50.758 3.873 -10.810 1.00 0.00 C ATOM 783 C ASN A 51 51.398 4.646 -11.973 1.00 0.00 C ATOM 784 O ASN A 51 50.918 4.580 -13.089 1.00 0.00 O ATOM 785 CB ASN A 51 50.466 2.428 -11.217 1.00 0.00 C ATOM 786 CG ASN A 51 51.776 1.727 -11.582 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.591 1.455 -10.725 1.00 0.00 O ATOM 788 ND2 ASN A 51 52.021 1.426 -12.827 1.00 0.00 N ATOM 0 H ASN A 51 48.735 4.405 -11.230 1.00 0.00 H new ATOM 0 HA ASN A 51 51.451 3.917 -9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 51 49.974 1.901 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.782 2.409 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.895 0.964 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.339 1.653 -13.550 1.00 0.00 H new ATOM 795 N PRO A 52 52.455 5.362 -11.670 1.00 0.00 N ATOM 796 CA PRO A 52 53.157 6.163 -12.708 1.00 0.00 C ATOM 797 C PRO A 52 53.919 5.249 -13.691 1.00 0.00 C ATOM 798 O PRO A 52 53.364 4.803 -14.677 1.00 0.00 O ATOM 799 CB PRO A 52 54.099 7.054 -11.894 1.00 0.00 C ATOM 800 CG PRO A 52 54.321 6.319 -10.609 1.00 0.00 C ATOM 801 CD PRO A 52 53.087 5.495 -10.348 1.00 0.00 C ATOM 0 HA PRO A 52 52.482 6.744 -13.336 1.00 0.00 H new ATOM 0 HB2 PRO A 52 55.039 7.219 -12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 52 53.658 8.035 -11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.202 5.681 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.497 7.018 -9.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.340 4.522 -9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.423 5.987 -9.637 1.00 0.00 H new ATOM 809 N THR A 53 55.180 4.973 -13.445 1.00 0.00 N ATOM 810 CA THR A 53 55.955 4.100 -14.379 1.00 0.00 C ATOM 811 C THR A 53 56.958 3.231 -13.603 1.00 0.00 C ATOM 812 O THR A 53 57.304 3.541 -12.478 1.00 0.00 O ATOM 813 CB THR A 53 56.699 5.065 -15.315 1.00 0.00 C ATOM 814 OG1 THR A 53 56.892 6.322 -14.678 1.00 0.00 O ATOM 815 CG2 THR A 53 55.889 5.266 -16.598 1.00 0.00 C ATOM 0 H THR A 53 55.703 5.315 -12.639 1.00 0.00 H new ATOM 0 HA THR A 53 55.304 3.419 -14.927 1.00 0.00 H new ATOM 0 HB THR A 53 57.671 4.636 -15.557 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.369 6.926 -15.285 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.419 5.951 -17.260 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.757 4.307 -17.099 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.913 5.684 -16.350 1.00 0.00 H new ATOM 823 N PRO A 54 57.395 2.166 -14.241 1.00 0.00 N ATOM 824 CA PRO A 54 58.372 1.232 -13.610 1.00 0.00 C ATOM 825 C PRO A 54 59.756 1.886 -13.464 1.00 0.00 C ATOM 826 O PRO A 54 60.443 1.680 -12.481 1.00 0.00 O ATOM 827 CB PRO A 54 58.424 0.057 -14.588 1.00 0.00 C ATOM 828 CG PRO A 54 58.006 0.632 -15.902 1.00 0.00 C ATOM 829 CD PRO A 54 57.027 1.734 -15.599 1.00 0.00 C ATOM 0 HA PRO A 54 58.081 0.937 -12.602 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.427 -0.367 -14.643 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.755 -0.746 -14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.867 1.018 -16.447 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.547 -0.131 -16.530 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.110 2.551 -16.315 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.998 1.378 -15.640 1.00 0.00 H new ATOM 837 N GLU A 55 60.169 2.666 -14.435 1.00 0.00 N ATOM 838 CA GLU A 55 61.510 3.331 -14.356 1.00 0.00 C ATOM 839 C GLU A 55 61.579 4.268 -13.140 1.00 0.00 C ATOM 840 O GLU A 55 62.594 4.354 -12.475 1.00 0.00 O ATOM 841 CB GLU A 55 61.641 4.126 -15.659 1.00 0.00 C ATOM 842 CG GLU A 55 61.996 3.172 -16.805 1.00 0.00 C ATOM 843 CD GLU A 55 62.374 3.977 -18.050 1.00 0.00 C ATOM 844 OE1 GLU A 55 63.539 4.310 -18.186 1.00 0.00 O ATOM 845 OE2 GLU A 55 61.491 4.245 -18.849 1.00 0.00 O ATOM 0 H GLU A 55 59.635 2.871 -15.280 1.00 0.00 H new ATOM 0 HA GLU A 55 62.317 2.608 -14.238 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.707 4.643 -15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.411 4.890 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.825 2.528 -16.511 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.150 2.521 -17.024 1.00 0.00 H new ATOM 852 N GLU A 56 60.506 4.962 -12.843 1.00 0.00 N ATOM 853 CA GLU A 56 60.507 5.889 -11.666 1.00 0.00 C ATOM 854 C GLU A 56 60.737 5.112 -10.361 1.00 0.00 C ATOM 855 O GLU A 56 61.422 5.580 -9.471 1.00 0.00 O ATOM 856 CB GLU A 56 59.121 6.540 -11.660 1.00 0.00 C ATOM 857 CG GLU A 56 59.113 7.740 -12.614 1.00 0.00 C ATOM 858 CD GLU A 56 59.928 8.886 -12.010 1.00 0.00 C ATOM 859 OE1 GLU A 56 59.382 9.608 -11.192 1.00 0.00 O ATOM 860 OE2 GLU A 56 61.084 9.021 -12.375 1.00 0.00 O ATOM 0 H GLU A 56 59.630 4.927 -13.364 1.00 0.00 H new ATOM 0 HA GLU A 56 61.305 6.628 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.366 5.815 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 56 58.864 6.863 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 56 59.531 7.453 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.089 8.066 -12.795 1.00 0.00 H new ATOM 867 N LEU A 57 60.176 3.930 -10.239 1.00 0.00 N ATOM 868 CA LEU A 57 60.373 3.136 -8.986 1.00 0.00 C ATOM 869 C LEU A 57 61.827 2.665 -8.875 1.00 0.00 C ATOM 870 O LEU A 57 62.358 2.551 -7.789 1.00 0.00 O ATOM 871 CB LEU A 57 59.428 1.936 -9.092 1.00 0.00 C ATOM 872 CG LEU A 57 57.983 2.414 -9.294 1.00 0.00 C ATOM 873 CD1 LEU A 57 57.050 1.204 -9.359 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.564 3.314 -8.127 1.00 0.00 C ATOM 0 H LEU A 57 59.594 3.485 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 57 60.160 3.732 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.728 1.300 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.495 1.330 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 57 57.920 2.978 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 57 56.024 1.543 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.341 0.565 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.119 0.641 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.538 3.650 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.630 2.754 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 58.225 4.179 -8.079 1.00 0.00 H new ATOM 886 N GLN A 58 62.481 2.406 -9.985 1.00 0.00 N ATOM 887 CA GLN A 58 63.911 1.964 -9.926 1.00 0.00 C ATOM 888 C GLN A 58 64.722 2.998 -9.136 1.00 0.00 C ATOM 889 O GLN A 58 65.392 2.671 -8.175 1.00 0.00 O ATOM 890 CB GLN A 58 64.378 1.897 -11.384 1.00 0.00 C ATOM 891 CG GLN A 58 64.992 0.522 -11.660 1.00 0.00 C ATOM 892 CD GLN A 58 66.463 0.528 -11.240 1.00 0.00 C ATOM 893 OE1 GLN A 58 67.338 0.717 -12.058 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.774 0.331 -9.990 1.00 0.00 N ATOM 0 H GLN A 58 62.088 2.481 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 58 64.037 1.001 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.537 2.073 -12.055 1.00 0.00 H new ATOM 0 HB3 GLN A 58 65.111 2.680 -11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.449 -0.248 -11.111 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.906 0.279 -12.719 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.039 0.172 -9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.752 0.336 -9.701 1.00 0.00 H new ATOM 903 N GLU A 59 64.627 4.252 -9.515 1.00 0.00 N ATOM 904 CA GLU A 59 65.354 5.320 -8.765 1.00 0.00 C ATOM 905 C GLU A 59 64.755 5.436 -7.356 1.00 0.00 C ATOM 906 O GLU A 59 65.459 5.660 -6.391 1.00 0.00 O ATOM 907 CB GLU A 59 65.126 6.606 -9.567 1.00 0.00 C ATOM 908 CG GLU A 59 65.930 7.755 -8.944 1.00 0.00 C ATOM 909 CD GLU A 59 64.980 8.725 -8.236 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.325 9.490 -8.924 1.00 0.00 O ATOM 911 OE2 GLU A 59 64.926 8.686 -7.018 1.00 0.00 O ATOM 0 H GLU A 59 64.078 4.579 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 59 66.418 5.113 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 59 65.429 6.458 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.065 6.856 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 59 66.657 7.360 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 59 66.491 8.280 -9.717 1.00 0.00 H new ATOM 918 N MET A 60 63.455 5.257 -7.235 1.00 0.00 N ATOM 919 CA MET A 60 62.797 5.325 -5.891 1.00 0.00 C ATOM 920 C MET A 60 63.461 4.322 -4.936 1.00 0.00 C ATOM 921 O MET A 60 63.700 4.621 -3.781 1.00 0.00 O ATOM 922 CB MET A 60 61.330 4.950 -6.141 1.00 0.00 C ATOM 923 CG MET A 60 60.488 5.338 -4.923 1.00 0.00 C ATOM 924 SD MET A 60 59.440 6.756 -5.337 1.00 0.00 S ATOM 925 CE MET A 60 58.045 5.820 -6.011 1.00 0.00 C ATOM 0 H MET A 60 62.824 5.067 -8.013 1.00 0.00 H new ATOM 0 HA MET A 60 62.885 6.310 -5.433 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.960 5.461 -7.030 1.00 0.00 H new ATOM 0 HB3 MET A 60 61.244 3.880 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.871 4.495 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 60 61.137 5.585 -4.083 1.00 0.00 H new ATOM 0 HE1 MET A 60 57.971 5.999 -7.084 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.199 4.756 -5.830 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.123 6.141 -5.526 1.00 0.00 H new ATOM 935 N ILE A 61 63.778 3.142 -5.418 1.00 0.00 N ATOM 936 CA ILE A 61 64.450 2.125 -4.547 1.00 0.00 C ATOM 937 C ILE A 61 65.893 2.565 -4.275 1.00 0.00 C ATOM 938 O ILE A 61 66.335 2.603 -3.142 1.00 0.00 O ATOM 939 CB ILE A 61 64.431 0.811 -5.346 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.981 0.362 -5.572 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.186 -0.274 -4.567 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.962 -0.937 -6.389 1.00 0.00 C ATOM 0 H ILE A 61 63.600 2.840 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 61 63.950 2.009 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 61 64.914 0.970 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.485 0.207 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.427 1.141 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.172 -1.205 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.218 0.041 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.705 -0.430 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.931 -1.252 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.442 -0.768 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.500 -1.715 -5.848 1.00 0.00 H new ATOM 954 N ASP A 62 66.623 2.907 -5.313 1.00 0.00 N ATOM 955 CA ASP A 62 68.041 3.357 -5.135 1.00 0.00 C ATOM 956 C ASP A 62 68.113 4.592 -4.223 1.00 0.00 C ATOM 957 O ASP A 62 69.107 4.814 -3.559 1.00 0.00 O ATOM 958 CB ASP A 62 68.537 3.692 -6.545 1.00 0.00 C ATOM 959 CG ASP A 62 69.016 2.412 -7.235 1.00 0.00 C ATOM 960 OD1 ASP A 62 70.058 1.907 -6.849 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.331 1.956 -8.133 1.00 0.00 O ATOM 0 H ASP A 62 66.295 2.893 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 62 68.653 2.590 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.736 4.152 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.350 4.416 -6.494 1.00 0.00 H new ATOM 966 N GLU A 63 67.064 5.388 -4.174 1.00 0.00 N ATOM 967 CA GLU A 63 67.068 6.599 -3.288 1.00 0.00 C ATOM 968 C GLU A 63 67.487 6.205 -1.861 1.00 0.00 C ATOM 969 O GLU A 63 68.220 6.917 -1.203 1.00 0.00 O ATOM 970 CB GLU A 63 65.623 7.114 -3.303 1.00 0.00 C ATOM 971 CG GLU A 63 65.535 8.423 -2.509 1.00 0.00 C ATOM 972 CD GLU A 63 64.230 8.458 -1.709 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.198 7.872 -0.638 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.286 9.075 -2.175 1.00 0.00 O ATOM 0 H GLU A 63 66.207 5.249 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 63 67.770 7.359 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.295 7.277 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.956 6.369 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.388 8.508 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.579 9.275 -3.188 1.00 0.00 H new ATOM 981 N VAL A 64 67.035 5.067 -1.394 1.00 0.00 N ATOM 982 CA VAL A 64 67.410 4.605 -0.022 1.00 0.00 C ATOM 983 C VAL A 64 68.016 3.185 -0.079 1.00 0.00 C ATOM 984 O VAL A 64 67.970 2.444 0.886 1.00 0.00 O ATOM 985 CB VAL A 64 66.093 4.625 0.772 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.181 3.478 0.320 1.00 0.00 C ATOM 987 CG2 VAL A 64 66.393 4.476 2.266 1.00 0.00 C ATOM 0 H VAL A 64 66.420 4.436 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 64 68.167 5.237 0.442 1.00 0.00 H new ATOM 0 HB VAL A 64 65.587 5.573 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.253 3.505 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.958 3.587 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.683 2.526 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 64 65.459 4.490 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 64 66.908 3.531 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 64 67.026 5.300 2.594 1.00 0.00 H new ATOM 997 N ASP A 65 68.591 2.806 -1.200 1.00 0.00 N ATOM 998 CA ASP A 65 69.200 1.443 -1.320 1.00 0.00 C ATOM 999 C ASP A 65 70.650 1.459 -0.818 1.00 0.00 C ATOM 1000 O ASP A 65 71.505 2.117 -1.382 1.00 0.00 O ATOM 1001 CB ASP A 65 69.152 1.112 -2.819 1.00 0.00 C ATOM 1002 CG ASP A 65 69.416 -0.381 -3.040 1.00 0.00 C ATOM 1003 OD1 ASP A 65 70.489 -0.839 -2.689 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.544 -1.046 -3.566 1.00 0.00 O ATOM 0 H ASP A 65 68.664 3.385 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 65 68.668 0.703 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.178 1.381 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.896 1.703 -3.353 1.00 0.00 H new ATOM 1009 N GLU A 66 70.930 0.730 0.232 1.00 0.00 N ATOM 1010 CA GLU A 66 72.325 0.685 0.773 1.00 0.00 C ATOM 1011 C GLU A 66 73.195 -0.277 -0.052 1.00 0.00 C ATOM 1012 O GLU A 66 74.408 -0.191 -0.037 1.00 0.00 O ATOM 1013 CB GLU A 66 72.181 0.175 2.210 1.00 0.00 C ATOM 1014 CG GLU A 66 73.036 1.034 3.148 1.00 0.00 C ATOM 1015 CD GLU A 66 72.140 2.019 3.902 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.342 1.566 4.704 1.00 0.00 O ATOM 1017 OE2 GLU A 66 72.265 3.209 3.664 1.00 0.00 O ATOM 0 H GLU A 66 70.252 0.162 0.740 1.00 0.00 H new ATOM 0 HA GLU A 66 72.808 1.661 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.136 0.213 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.493 -0.868 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 66 73.570 0.398 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 73.789 1.576 2.576 1.00 0.00 H new ATOM 1024 N ASP A 67 72.588 -1.194 -0.767 1.00 0.00 N ATOM 1025 CA ASP A 67 73.382 -2.164 -1.586 1.00 0.00 C ATOM 1026 C ASP A 67 73.834 -1.548 -2.915 1.00 0.00 C ATOM 1027 O ASP A 67 74.692 -2.090 -3.586 1.00 0.00 O ATOM 1028 CB ASP A 67 72.434 -3.339 -1.852 1.00 0.00 C ATOM 1029 CG ASP A 67 72.109 -4.062 -0.542 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.033 -4.385 0.185 1.00 0.00 O ATOM 1031 OD2 ASP A 67 70.937 -4.285 -0.294 1.00 0.00 O ATOM 0 H ASP A 67 71.576 -1.313 -0.819 1.00 0.00 H new ATOM 0 HA ASP A 67 74.289 -2.465 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.515 -2.977 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.893 -4.034 -2.556 1.00 0.00 H new ATOM 1036 N GLY A 68 73.252 -0.445 -3.324 1.00 0.00 N ATOM 1037 CA GLY A 68 73.642 0.157 -4.635 1.00 0.00 C ATOM 1038 C GLY A 68 73.210 -0.793 -5.762 1.00 0.00 C ATOM 1039 O GLY A 68 73.667 -0.690 -6.884 1.00 0.00 O ATOM 0 H GLY A 68 72.530 0.059 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 73.168 1.131 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.719 0.320 -4.670 1.00 0.00 H new ATOM 1043 N SER A 69 72.328 -1.720 -5.458 1.00 0.00 N ATOM 1044 CA SER A 69 71.847 -2.693 -6.482 1.00 0.00 C ATOM 1045 C SER A 69 70.552 -2.183 -7.121 1.00 0.00 C ATOM 1046 O SER A 69 70.304 -2.394 -8.293 1.00 0.00 O ATOM 1047 CB SER A 69 71.592 -3.988 -5.702 1.00 0.00 C ATOM 1048 OG SER A 69 70.575 -3.769 -4.721 1.00 0.00 O ATOM 0 H SER A 69 71.919 -1.841 -4.531 1.00 0.00 H new ATOM 0 HA SER A 69 72.564 -2.839 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.287 -4.781 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.511 -4.320 -5.219 1.00 0.00 H new ATOM 0 HG SER A 69 69.722 -4.121 -5.050 1.00 0.00 H new ATOM 1054 N GLY A 70 69.728 -1.515 -6.354 1.00 0.00 N ATOM 1055 CA GLY A 70 68.441 -0.984 -6.910 1.00 0.00 C ATOM 1056 C GLY A 70 67.300 -1.974 -6.639 1.00 0.00 C ATOM 1057 O GLY A 70 66.350 -2.058 -7.393 1.00 0.00 O ATOM 0 H GLY A 70 69.888 -1.313 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.211 -0.019 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.541 -0.817 -7.983 1.00 0.00 H new ATOM 1061 N THR A 71 67.385 -2.711 -5.561 1.00 0.00 N ATOM 1062 CA THR A 71 66.310 -3.695 -5.208 1.00 0.00 C ATOM 1063 C THR A 71 65.882 -3.453 -3.758 1.00 0.00 C ATOM 1064 O THR A 71 66.715 -3.277 -2.893 1.00 0.00 O ATOM 1065 CB THR A 71 66.939 -5.094 -5.357 1.00 0.00 C ATOM 1066 OG1 THR A 71 68.330 -4.989 -5.654 1.00 0.00 O ATOM 1067 CG2 THR A 71 66.233 -5.855 -6.481 1.00 0.00 C ATOM 0 H THR A 71 68.162 -2.674 -4.901 1.00 0.00 H new ATOM 0 HA THR A 71 65.432 -3.598 -5.847 1.00 0.00 H new ATOM 0 HB THR A 71 66.821 -5.632 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 71 68.714 -5.886 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 71 66.678 -6.844 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 71 65.174 -5.957 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 71 66.343 -5.307 -7.417 1.00 0.00 H new ATOM 1075 N VAL A 72 64.600 -3.422 -3.483 1.00 0.00 N ATOM 1076 CA VAL A 72 64.144 -3.162 -2.078 1.00 0.00 C ATOM 1077 C VAL A 72 64.335 -4.399 -1.190 1.00 0.00 C ATOM 1078 O VAL A 72 63.679 -5.411 -1.362 1.00 0.00 O ATOM 1079 CB VAL A 72 62.657 -2.803 -2.179 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.050 -2.712 -0.774 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.500 -1.452 -2.875 1.00 0.00 C ATOM 0 H VAL A 72 63.854 -3.564 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 72 64.726 -2.361 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 72 62.144 -3.575 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 60.993 -2.457 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.156 -3.672 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.569 -1.942 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.442 -1.200 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.019 -0.684 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 72 62.927 -1.507 -3.876 1.00 0.00 H new ATOM 1091 N ASP A 73 65.214 -4.305 -0.227 1.00 0.00 N ATOM 1092 CA ASP A 73 65.449 -5.448 0.705 1.00 0.00 C ATOM 1093 C ASP A 73 64.630 -5.237 1.990 1.00 0.00 C ATOM 1094 O ASP A 73 63.860 -4.299 2.091 1.00 0.00 O ATOM 1095 CB ASP A 73 66.953 -5.412 0.997 1.00 0.00 C ATOM 1096 CG ASP A 73 67.715 -6.057 -0.162 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.912 -7.259 -0.116 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.088 -5.338 -1.076 1.00 0.00 O ATOM 0 H ASP A 73 65.784 -3.479 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 73 65.146 -6.409 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 73 67.283 -4.382 1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 73 67.166 -5.941 1.926 1.00 0.00 H new ATOM 1103 N PHE A 74 64.790 -6.087 2.976 1.00 0.00 N ATOM 1104 CA PHE A 74 64.013 -5.908 4.244 1.00 0.00 C ATOM 1105 C PHE A 74 64.564 -4.710 5.024 1.00 0.00 C ATOM 1106 O PHE A 74 63.822 -3.921 5.578 1.00 0.00 O ATOM 1107 CB PHE A 74 64.204 -7.210 5.032 1.00 0.00 C ATOM 1108 CG PHE A 74 63.268 -7.222 6.219 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.889 -7.070 6.027 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.779 -7.383 7.511 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.023 -7.077 7.125 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.913 -7.390 8.611 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.535 -7.237 8.418 1.00 0.00 C ATOM 0 H PHE A 74 65.419 -6.890 2.959 1.00 0.00 H new ATOM 0 HA PHE A 74 62.957 -5.712 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 74 64.006 -8.068 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 74 65.237 -7.296 5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 74 61.494 -6.947 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.842 -7.502 7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.960 -6.959 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.308 -7.513 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.867 -7.242 9.267 1.00 0.00 H new ATOM 1123 N ASP A 75 65.865 -4.567 5.052 1.00 0.00 N ATOM 1124 CA ASP A 75 66.491 -3.419 5.774 1.00 0.00 C ATOM 1125 C ASP A 75 66.157 -2.101 5.055 1.00 0.00 C ATOM 1126 O ASP A 75 65.937 -1.081 5.682 1.00 0.00 O ATOM 1127 CB ASP A 75 67.997 -3.724 5.739 1.00 0.00 C ATOM 1128 CG ASP A 75 68.580 -3.404 4.359 1.00 0.00 C ATOM 1129 OD1 ASP A 75 68.353 -4.185 3.449 1.00 0.00 O ATOM 1130 OD2 ASP A 75 69.240 -2.387 4.236 1.00 0.00 O ATOM 0 H ASP A 75 66.525 -5.202 4.602 1.00 0.00 H new ATOM 0 HA ASP A 75 66.130 -3.303 6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 75 68.510 -3.138 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.166 -4.774 5.977 1.00 0.00 H new ATOM 1135 N GLU A 76 66.102 -2.125 3.745 1.00 0.00 N ATOM 1136 CA GLU A 76 65.767 -0.889 2.975 1.00 0.00 C ATOM 1137 C GLU A 76 64.273 -0.569 3.128 1.00 0.00 C ATOM 1138 O GLU A 76 63.891 0.573 3.295 1.00 0.00 O ATOM 1139 CB GLU A 76 66.098 -1.227 1.518 1.00 0.00 C ATOM 1140 CG GLU A 76 67.513 -0.737 1.180 1.00 0.00 C ATOM 1141 CD GLU A 76 68.183 -1.685 0.175 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.475 -2.391 -0.520 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.400 -1.680 0.107 1.00 0.00 O ATOM 0 H GLU A 76 66.276 -2.953 3.175 1.00 0.00 H new ATOM 0 HA GLU A 76 66.320 -0.017 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 76 66.028 -2.303 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.372 -0.759 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.466 0.270 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.111 -0.679 2.089 1.00 0.00 H new ATOM 1150 N PHE A 77 63.432 -1.577 3.076 1.00 0.00 N ATOM 1151 CA PHE A 77 61.958 -1.351 3.221 1.00 0.00 C ATOM 1152 C PHE A 77 61.645 -0.660 4.555 1.00 0.00 C ATOM 1153 O PHE A 77 60.940 0.327 4.592 1.00 0.00 O ATOM 1154 CB PHE A 77 61.334 -2.750 3.181 1.00 0.00 C ATOM 1155 CG PHE A 77 59.829 -2.639 3.099 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.217 -2.281 1.891 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.044 -2.901 4.230 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.824 -2.182 1.813 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.650 -2.801 4.151 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.040 -2.443 2.944 1.00 0.00 C ATOM 0 H PHE A 77 63.705 -2.550 2.939 1.00 0.00 H new ATOM 0 HA PHE A 77 61.566 -0.705 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.714 -3.303 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.618 -3.310 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.822 -2.081 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.514 -3.180 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.353 -1.905 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.045 -3.000 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.964 -2.368 2.884 1.00 0.00 H new ATOM 1170 N LEU A 78 62.165 -1.170 5.648 1.00 0.00 N ATOM 1171 CA LEU A 78 61.895 -0.536 6.981 1.00 0.00 C ATOM 1172 C LEU A 78 62.271 0.952 6.951 1.00 0.00 C ATOM 1173 O LEU A 78 61.517 1.798 7.393 1.00 0.00 O ATOM 1174 CB LEU A 78 62.776 -1.296 7.978 1.00 0.00 C ATOM 1175 CG LEU A 78 62.200 -2.696 8.211 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.273 -3.590 8.833 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.998 -2.606 9.156 1.00 0.00 C ATOM 0 H LEU A 78 62.763 -1.996 5.675 1.00 0.00 H new ATOM 0 HA LEU A 78 60.841 -0.590 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.794 -1.370 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.828 -0.752 8.921 1.00 0.00 H new ATOM 0 HG LEU A 78 61.880 -3.120 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.864 -4.587 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.127 -3.656 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.593 -3.166 9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.589 -3.603 9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.315 -2.182 10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.233 -1.969 8.712 1.00 0.00 H new ATOM 1189 N VAL A 79 63.424 1.274 6.415 1.00 0.00 N ATOM 1190 CA VAL A 79 63.849 2.710 6.335 1.00 0.00 C ATOM 1191 C VAL A 79 62.921 3.474 5.379 1.00 0.00 C ATOM 1192 O VAL A 79 62.577 4.616 5.615 1.00 0.00 O ATOM 1193 CB VAL A 79 65.283 2.677 5.787 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.773 4.104 5.523 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.209 2.010 6.809 1.00 0.00 C ATOM 0 H VAL A 79 64.090 0.605 6.029 1.00 0.00 H new ATOM 0 HA VAL A 79 63.801 3.212 7.301 1.00 0.00 H new ATOM 0 HB VAL A 79 65.293 2.111 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.791 4.073 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.120 4.584 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.757 4.672 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.226 1.988 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.191 2.576 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.870 0.991 6.997 1.00 0.00 H new ATOM 1205 N MET A 80 62.516 2.845 4.304 1.00 0.00 N ATOM 1206 CA MET A 80 61.610 3.518 3.324 1.00 0.00 C ATOM 1207 C MET A 80 60.238 3.802 3.954 1.00 0.00 C ATOM 1208 O MET A 80 59.665 4.855 3.749 1.00 0.00 O ATOM 1209 CB MET A 80 61.471 2.521 2.170 1.00 0.00 C ATOM 1210 CG MET A 80 60.866 3.224 0.951 1.00 0.00 C ATOM 1211 SD MET A 80 61.370 2.357 -0.556 1.00 0.00 S ATOM 1212 CE MET A 80 60.289 0.918 -0.367 1.00 0.00 C ATOM 0 H MET A 80 62.776 1.889 4.062 1.00 0.00 H new ATOM 0 HA MET A 80 62.006 4.479 2.997 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.446 2.106 1.916 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.838 1.686 2.472 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.779 3.239 1.029 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.197 4.262 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.305 0.328 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.639 0.307 0.465 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.270 1.252 -0.169 1.00 0.00 H new ATOM 1222 N MET A 81 59.703 2.871 4.706 1.00 0.00 N ATOM 1223 CA MET A 81 58.361 3.085 5.335 1.00 0.00 C ATOM 1224 C MET A 81 58.412 4.212 6.379 1.00 0.00 C ATOM 1225 O MET A 81 57.589 5.108 6.366 1.00 0.00 O ATOM 1226 CB MET A 81 58.001 1.749 6.003 1.00 0.00 C ATOM 1227 CG MET A 81 57.879 0.632 4.953 1.00 0.00 C ATOM 1228 SD MET A 81 57.291 1.308 3.377 1.00 0.00 S ATOM 1229 CE MET A 81 55.532 1.355 3.793 1.00 0.00 C ATOM 0 H MET A 81 60.138 1.971 4.912 1.00 0.00 H new ATOM 0 HA MET A 81 57.619 3.383 4.594 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.765 1.485 6.735 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.061 1.849 6.545 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.846 0.150 4.811 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.190 -0.135 5.307 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.056 2.183 3.268 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.062 0.418 3.494 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.416 1.492 4.868 1.00 0.00 H new ATOM 1239 N VAL A 82 59.359 4.173 7.288 1.00 0.00 N ATOM 1240 CA VAL A 82 59.436 5.249 8.335 1.00 0.00 C ATOM 1241 C VAL A 82 59.737 6.618 7.704 1.00 0.00 C ATOM 1242 O VAL A 82 59.241 7.631 8.159 1.00 0.00 O ATOM 1243 CB VAL A 82 60.552 4.840 9.311 1.00 0.00 C ATOM 1244 CG1 VAL A 82 60.191 3.509 9.975 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.891 4.699 8.573 1.00 0.00 C ATOM 0 H VAL A 82 60.076 3.451 7.352 1.00 0.00 H new ATOM 0 HA VAL A 82 58.482 5.349 8.853 1.00 0.00 H new ATOM 0 HB VAL A 82 60.652 5.615 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 60.983 3.221 10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 82 59.254 3.617 10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 82 60.079 2.740 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.668 4.409 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 82 61.802 3.936 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.156 5.652 8.114 1.00 0.00 H new ATOM 1255 N ARG A 83 60.531 6.662 6.661 1.00 0.00 N ATOM 1256 CA ARG A 83 60.837 7.980 6.016 1.00 0.00 C ATOM 1257 C ARG A 83 59.676 8.421 5.104 1.00 0.00 C ATOM 1258 O ARG A 83 59.531 9.588 4.797 1.00 0.00 O ATOM 1259 CB ARG A 83 62.135 7.759 5.219 1.00 0.00 C ATOM 1260 CG ARG A 83 61.848 7.054 3.885 1.00 0.00 C ATOM 1261 CD ARG A 83 62.660 7.717 2.765 1.00 0.00 C ATOM 1262 NE ARG A 83 62.124 9.108 2.663 1.00 0.00 N ATOM 1263 CZ ARG A 83 61.347 9.442 1.671 1.00 0.00 C ATOM 1264 NH1 ARG A 83 61.791 9.386 0.449 1.00 0.00 N ATOM 1265 NH2 ARG A 83 60.129 9.836 1.909 1.00 0.00 N ATOM 0 H ARG A 83 60.977 5.852 6.231 1.00 0.00 H new ATOM 0 HA ARG A 83 60.961 8.776 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 83 62.618 8.718 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 83 62.831 7.161 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 83 62.106 5.998 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 83 60.784 7.107 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.724 7.721 3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 83 62.544 7.180 1.824 1.00 0.00 H new ATOM 0 HE ARG A 83 62.367 9.799 3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.747 9.081 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 83 61.183 9.647 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 83 59.786 9.882 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 83 59.518 10.098 1.136 1.00 0.00 H new ATOM 1279 N CYS A 84 58.846 7.498 4.674 1.00 0.00 N ATOM 1280 CA CYS A 84 57.694 7.865 3.789 1.00 0.00 C ATOM 1281 C CYS A 84 56.545 8.467 4.617 1.00 0.00 C ATOM 1282 O CYS A 84 55.740 9.222 4.106 1.00 0.00 O ATOM 1283 CB CYS A 84 57.259 6.547 3.139 1.00 0.00 C ATOM 1284 SG CYS A 84 55.818 6.832 2.080 1.00 0.00 S ATOM 0 H CYS A 84 58.918 6.506 4.898 1.00 0.00 H new ATOM 0 HA CYS A 84 57.969 8.616 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 84 58.078 6.133 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 84 57.017 5.814 3.908 1.00 0.00 H new ATOM 0 HG CYS A 84 55.300 7.992 2.355 1.00 0.00 H new ATOM 1290 N MET A 85 56.464 8.135 5.886 1.00 0.00 N ATOM 1291 CA MET A 85 55.367 8.683 6.752 1.00 0.00 C ATOM 1292 C MET A 85 55.360 10.221 6.725 1.00 0.00 C ATOM 1293 O MET A 85 54.350 10.836 6.440 1.00 0.00 O ATOM 1294 CB MET A 85 55.676 8.172 8.164 1.00 0.00 C ATOM 1295 CG MET A 85 54.749 7.002 8.502 1.00 0.00 C ATOM 1296 SD MET A 85 54.879 6.618 10.267 1.00 0.00 S ATOM 1297 CE MET A 85 56.557 5.939 10.235 1.00 0.00 C ATOM 0 H MET A 85 57.112 7.506 6.361 1.00 0.00 H new ATOM 0 HA MET A 85 54.384 8.364 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 85 56.717 7.854 8.227 1.00 0.00 H new ATOM 0 HB3 MET A 85 55.544 8.975 8.889 1.00 0.00 H new ATOM 0 HG2 MET A 85 53.719 7.255 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.017 6.128 7.908 1.00 0.00 H new ATOM 0 HE1 MET A 85 56.735 5.366 11.145 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.669 5.288 9.368 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.278 6.754 10.172 1.00 0.00 H new ATOM 1307 N LYS A 86 56.477 10.846 7.020 1.00 0.00 N ATOM 1308 CA LYS A 86 56.525 12.342 7.011 1.00 0.00 C ATOM 1309 C LYS A 86 57.900 12.839 6.538 1.00 0.00 C ATOM 1310 O LYS A 86 58.797 13.066 7.329 1.00 0.00 O ATOM 1311 CB LYS A 86 56.264 12.761 8.464 1.00 0.00 C ATOM 1312 CG LYS A 86 55.271 13.929 8.497 1.00 0.00 C ATOM 1313 CD LYS A 86 55.957 15.206 8.000 1.00 0.00 C ATOM 1314 CE LYS A 86 54.952 16.363 7.993 1.00 0.00 C ATOM 1315 NZ LYS A 86 54.590 16.558 6.559 1.00 0.00 N ATOM 0 H LYS A 86 57.353 10.386 7.266 1.00 0.00 H new ATOM 0 HA LYS A 86 55.791 12.769 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 86 55.867 11.918 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 86 57.199 13.053 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 86 54.407 13.702 7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 86 54.901 14.075 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 86 56.803 15.450 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 86 56.354 15.050 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 86 54.073 16.125 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 86 55.390 17.268 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 53.831 17.265 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 55.423 16.890 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 54.263 15.656 6.158 1.00 0.00 H new ATOM 1329 N ASP A 87 58.066 13.017 5.251 1.00 0.00 N ATOM 1330 CA ASP A 87 59.375 13.510 4.722 1.00 0.00 C ATOM 1331 C ASP A 87 59.272 15.005 4.390 1.00 0.00 C ATOM 1332 O ASP A 87 59.995 15.819 4.935 1.00 0.00 O ATOM 1333 CB ASP A 87 59.636 12.683 3.459 1.00 0.00 C ATOM 1334 CG ASP A 87 61.128 12.364 3.355 1.00 0.00 C ATOM 1335 OD1 ASP A 87 61.601 11.567 4.150 1.00 0.00 O ATOM 1336 OD2 ASP A 87 61.773 12.922 2.486 1.00 0.00 O ATOM 0 H ASP A 87 57.352 12.842 4.544 1.00 0.00 H new ATOM 0 HA ASP A 87 60.185 13.400 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 87 59.058 11.760 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 87 59.309 13.234 2.577 1.00 0.00 H new ATOM 1341 N ASP A 88 58.369 15.371 3.513 1.00 0.00 N ATOM 1342 CA ASP A 88 58.206 16.814 3.155 1.00 0.00 C ATOM 1343 C ASP A 88 57.539 17.565 4.314 1.00 0.00 C ATOM 1344 O ASP A 88 56.476 17.191 4.775 1.00 0.00 O ATOM 1345 CB ASP A 88 57.301 16.824 1.918 1.00 0.00 C ATOM 1346 CG ASP A 88 58.128 16.508 0.672 1.00 0.00 C ATOM 1347 OD1 ASP A 88 58.684 17.431 0.102 1.00 0.00 O ATOM 1348 OD2 ASP A 88 58.185 15.348 0.303 1.00 0.00 O ATOM 0 H ASP A 88 57.738 14.732 3.030 1.00 0.00 H new ATOM 0 HA ASP A 88 59.161 17.302 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 88 56.504 16.090 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 88 56.824 17.798 1.812 1.00 0.00 H new ATOM 1353 N SER A 89 58.156 18.616 4.790 1.00 0.00 N ATOM 1354 CA SER A 89 57.563 19.393 5.924 1.00 0.00 C ATOM 1355 C SER A 89 57.853 20.889 5.755 1.00 0.00 C ATOM 1356 O SER A 89 56.918 21.667 5.851 1.00 0.00 O ATOM 1357 CB SER A 89 58.250 18.852 7.181 1.00 0.00 C ATOM 1358 OG SER A 89 57.745 17.555 7.475 1.00 0.00 O ATOM 1359 OXT SER A 89 59.005 21.231 5.535 1.00 0.00 O ATOM 0 H SER A 89 59.047 18.972 4.443 1.00 0.00 H new ATOM 0 HA SER A 89 56.480 19.285 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 59.328 18.808 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 89 58.073 19.522 8.022 1.00 0.00 H new ATOM 0 HG SER A 89 58.185 17.207 8.278 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 50.912 17.471 -7.670 1.00 0.00 N ATOM 1367 CA ARG B 144 52.339 17.125 -7.953 1.00 0.00 C ATOM 1368 C ARG B 144 52.747 15.870 -7.171 1.00 0.00 C ATOM 1369 O ARG B 144 52.236 15.609 -6.098 1.00 0.00 O ATOM 1370 CB ARG B 144 53.150 18.339 -7.487 1.00 0.00 C ATOM 1371 CG ARG B 144 53.605 19.144 -8.706 1.00 0.00 C ATOM 1372 CD ARG B 144 54.283 20.434 -8.243 1.00 0.00 C ATOM 1373 NE ARG B 144 54.608 21.167 -9.500 1.00 0.00 N ATOM 1374 CZ ARG B 144 55.849 21.335 -9.858 1.00 0.00 C ATOM 1375 NH1 ARG B 144 56.511 22.374 -9.438 1.00 0.00 N ATOM 1376 NH2 ARG B 144 56.428 20.457 -10.625 1.00 0.00 N ATOM 0 HA ARG B 144 52.506 16.909 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG B 144 52.545 18.964 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG B 144 54.015 18.013 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG B 144 54.296 18.553 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG B 144 52.750 19.378 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG B 144 53.623 21.020 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG B 144 55.182 20.222 -7.665 1.00 0.00 H new ATOM 0 HE ARG B 144 53.856 21.538 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG B 144 56.058 23.056 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG B 144 57.483 22.507 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG B 144 55.910 19.639 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG B 144 57.400 20.587 -10.906 1.00 0.00 H new ATOM 1392 N ARG B 145 53.663 15.095 -7.713 1.00 0.00 N ATOM 1393 CA ARG B 145 54.126 13.840 -7.028 1.00 0.00 C ATOM 1394 C ARG B 145 52.972 12.835 -6.886 1.00 0.00 C ATOM 1395 O ARG B 145 51.822 13.149 -7.134 1.00 0.00 O ATOM 1396 CB ARG B 145 54.634 14.286 -5.650 1.00 0.00 C ATOM 1397 CG ARG B 145 56.037 13.719 -5.411 1.00 0.00 C ATOM 1398 CD ARG B 145 57.023 14.869 -5.188 1.00 0.00 C ATOM 1399 NE ARG B 145 58.057 14.319 -4.263 1.00 0.00 N ATOM 1400 CZ ARG B 145 58.068 14.670 -3.007 1.00 0.00 C ATOM 1401 NH1 ARG B 145 57.297 14.059 -2.155 1.00 0.00 N ATOM 1402 NH2 ARG B 145 58.858 15.622 -2.605 1.00 0.00 N ATOM 0 H ARG B 145 54.113 15.281 -8.609 1.00 0.00 H new ATOM 0 HA ARG B 145 54.905 13.335 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG B 145 54.656 15.374 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG B 145 53.954 13.941 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG B 145 56.031 13.058 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG B 145 56.349 13.120 -6.266 1.00 0.00 H new ATOM 0 HD2 ARG B 145 57.468 15.195 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG B 145 56.526 15.736 -4.753 1.00 0.00 H new ATOM 0 HE ARG B 145 58.758 13.666 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG B 145 56.685 13.306 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG B 145 57.305 14.333 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG B 145 59.469 16.094 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG B 145 58.867 15.897 -1.623 1.00 0.00 H new ATOM 1416 N VAL B 146 53.274 11.624 -6.491 1.00 0.00 N ATOM 1417 CA VAL B 146 52.198 10.598 -6.331 1.00 0.00 C ATOM 1418 C VAL B 146 51.864 10.406 -4.844 1.00 0.00 C ATOM 1419 O VAL B 146 52.687 10.638 -3.977 1.00 0.00 O ATOM 1420 CB VAL B 146 52.759 9.313 -6.964 1.00 0.00 C ATOM 1421 CG1 VAL B 146 53.712 8.601 -5.996 1.00 0.00 C ATOM 1422 CG2 VAL B 146 51.601 8.376 -7.315 1.00 0.00 C ATOM 0 H VAL B 146 54.217 11.302 -6.273 1.00 0.00 H new ATOM 0 HA VAL B 146 51.266 10.893 -6.814 1.00 0.00 H new ATOM 0 HB VAL B 146 53.312 9.580 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.097 7.695 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL B 146 54.542 9.263 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.175 8.338 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL B 146 51.994 7.464 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL B 146 51.048 8.126 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL B 146 50.935 8.870 -8.022 1.00 0.00 H new ATOM 1432 N ARG B 147 50.657 10.000 -4.546 1.00 0.00 N ATOM 1433 CA ARG B 147 50.257 9.808 -3.119 1.00 0.00 C ATOM 1434 C ARG B 147 50.303 8.324 -2.739 1.00 0.00 C ATOM 1435 O ARG B 147 49.464 7.542 -3.148 1.00 0.00 O ATOM 1436 CB ARG B 147 48.824 10.343 -3.030 1.00 0.00 C ATOM 1437 CG ARG B 147 48.844 11.875 -3.005 1.00 0.00 C ATOM 1438 CD ARG B 147 48.135 12.418 -4.249 1.00 0.00 C ATOM 1439 NE ARG B 147 49.217 12.622 -5.258 1.00 0.00 N ATOM 1440 CZ ARG B 147 48.916 12.922 -6.488 1.00 0.00 C ATOM 1441 NH1 ARG B 147 48.420 12.014 -7.278 1.00 0.00 N ATOM 1442 NH2 ARG B 147 49.118 14.129 -6.927 1.00 0.00 N ATOM 0 H ARG B 147 49.929 9.793 -5.230 1.00 0.00 H new ATOM 0 HA ARG B 147 50.929 10.325 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG B 147 48.241 9.991 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG B 147 48.338 9.962 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG B 147 48.351 12.241 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG B 147 49.872 12.235 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG B 147 47.385 11.716 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG B 147 47.618 13.353 -4.031 1.00 0.00 H new ATOM 0 HE ARG B 147 50.194 12.526 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG B 147 48.267 11.066 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG B 147 48.184 12.250 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG B 147 49.511 14.838 -6.308 1.00 0.00 H new ATOM 0 HH22 ARG B 147 48.883 14.367 -7.891 1.00 0.00 H new ATOM 1456 N ILE B 148 51.273 7.936 -1.952 1.00 0.00 N ATOM 1457 CA ILE B 148 51.376 6.506 -1.529 1.00 0.00 C ATOM 1458 C ILE B 148 50.992 6.374 -0.049 1.00 0.00 C ATOM 1459 O ILE B 148 50.058 5.675 0.290 1.00 0.00 O ATOM 1460 CB ILE B 148 52.844 6.122 -1.756 1.00 0.00 C ATOM 1461 CG1 ILE B 148 53.167 6.181 -3.258 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.096 4.703 -1.233 1.00 0.00 C ATOM 1463 CD1 ILE B 148 52.223 5.258 -4.038 1.00 0.00 C ATOM 0 H ILE B 148 52.000 8.549 -1.583 1.00 0.00 H new ATOM 0 HA ILE B 148 50.706 5.854 -2.090 1.00 0.00 H new ATOM 0 HB ILE B 148 53.484 6.822 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE B 148 53.067 7.205 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE B 148 54.202 5.883 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE B 148 54.140 4.435 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE B 148 52.874 4.664 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.454 4.000 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE B 148 52.461 5.308 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE B 148 52.344 4.233 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE B 148 51.192 5.576 -3.882 1.00 0.00 H new ATOM 1475 N SER B 149 51.706 7.056 0.824 1.00 0.00 N ATOM 1476 CA SER B 149 51.406 7.004 2.297 1.00 0.00 C ATOM 1477 C SER B 149 51.627 5.590 2.858 1.00 0.00 C ATOM 1478 O SER B 149 50.900 4.664 2.551 1.00 0.00 O ATOM 1479 CB SER B 149 49.938 7.426 2.440 1.00 0.00 C ATOM 1480 OG SER B 149 49.845 8.480 3.390 1.00 0.00 O ATOM 0 H SER B 149 52.494 7.654 0.574 1.00 0.00 H new ATOM 0 HA SER B 149 52.068 7.662 2.859 1.00 0.00 H new ATOM 0 HB2 SER B 149 49.546 7.753 1.477 1.00 0.00 H new ATOM 0 HB3 SER B 149 49.333 6.578 2.760 1.00 0.00 H new ATOM 0 HG SER B 149 49.844 8.105 4.295 1.00 0.00 H new ATOM 1486 N ALA B 150 52.628 5.424 3.691 1.00 0.00 N ATOM 1487 CA ALA B 150 52.904 4.076 4.288 1.00 0.00 C ATOM 1488 C ALA B 150 51.664 3.559 5.031 1.00 0.00 C ATOM 1489 O ALA B 150 51.313 2.399 4.932 1.00 0.00 O ATOM 1490 CB ALA B 150 54.064 4.296 5.264 1.00 0.00 C ATOM 0 H ALA B 150 53.266 6.164 3.984 1.00 0.00 H new ATOM 0 HA ALA B 150 53.150 3.334 3.528 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.323 3.351 5.741 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.929 4.677 4.721 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.767 5.017 6.026 1.00 0.00 H new ATOM 1496 N ASP B 151 50.994 4.418 5.762 1.00 0.00 N ATOM 1497 CA ASP B 151 49.766 3.993 6.507 1.00 0.00 C ATOM 1498 C ASP B 151 48.686 3.501 5.527 1.00 0.00 C ATOM 1499 O ASP B 151 47.994 2.536 5.794 1.00 0.00 O ATOM 1500 CB ASP B 151 49.297 5.246 7.268 1.00 0.00 C ATOM 1501 CG ASP B 151 48.957 6.372 6.284 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.880 6.984 5.772 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.781 6.600 6.059 1.00 0.00 O ATOM 0 H ASP B 151 51.246 5.400 5.875 1.00 0.00 H new ATOM 0 HA ASP B 151 49.965 3.165 7.188 1.00 0.00 H new ATOM 0 HB2 ASP B 151 48.422 5.006 7.873 1.00 0.00 H new ATOM 0 HB3 ASP B 151 50.077 5.577 7.953 1.00 0.00 H new ATOM 1508 N ALA B 152 48.548 4.147 4.391 1.00 0.00 N ATOM 1509 CA ALA B 152 47.524 3.707 3.392 1.00 0.00 C ATOM 1510 C ALA B 152 47.910 2.334 2.826 1.00 0.00 C ATOM 1511 O ALA B 152 47.102 1.427 2.777 1.00 0.00 O ATOM 1512 CB ALA B 152 47.544 4.775 2.293 1.00 0.00 C ATOM 0 H ALA B 152 49.100 4.959 4.115 1.00 0.00 H new ATOM 0 HA ALA B 152 46.531 3.606 3.830 1.00 0.00 H new ATOM 0 HB1 ALA B 152 46.816 4.519 1.523 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.291 5.744 2.723 1.00 0.00 H new ATOM 0 HB3 ALA B 152 48.539 4.823 1.850 1.00 0.00 H new ATOM 1518 N MET B 153 49.146 2.175 2.416 1.00 0.00 N ATOM 1519 CA MET B 153 49.599 0.857 1.868 1.00 0.00 C ATOM 1520 C MET B 153 49.533 -0.221 2.960 1.00 0.00 C ATOM 1521 O MET B 153 49.191 -1.359 2.696 1.00 0.00 O ATOM 1522 CB MET B 153 51.046 1.086 1.418 1.00 0.00 C ATOM 1523 CG MET B 153 51.262 0.440 0.048 1.00 0.00 C ATOM 1524 SD MET B 153 53.014 0.530 -0.391 1.00 0.00 S ATOM 1525 CE MET B 153 52.803 1.316 -2.007 1.00 0.00 C ATOM 0 H MET B 153 49.861 2.902 2.437 1.00 0.00 H new ATOM 0 HA MET B 153 48.971 0.513 1.046 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.257 2.154 1.366 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.736 0.660 2.146 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.934 -0.599 0.068 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.661 0.949 -0.705 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.581 2.065 -2.152 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.875 0.562 -2.791 1.00 0.00 H new ATOM 0 HE3 MET B 153 51.825 1.795 -2.054 1.00 0.00 H new ATOM 1535 N MET B 154 49.849 0.136 4.185 1.00 0.00 N ATOM 1536 CA MET B 154 49.797 -0.856 5.307 1.00 0.00 C ATOM 1537 C MET B 154 48.379 -1.429 5.439 1.00 0.00 C ATOM 1538 O MET B 154 48.193 -2.627 5.517 1.00 0.00 O ATOM 1539 CB MET B 154 50.177 -0.062 6.564 1.00 0.00 C ATOM 1540 CG MET B 154 51.691 -0.131 6.778 1.00 0.00 C ATOM 1541 SD MET B 154 52.140 0.857 8.226 1.00 0.00 S ATOM 1542 CE MET B 154 52.283 -0.512 9.401 1.00 0.00 C ATOM 0 H MET B 154 50.141 1.075 4.455 1.00 0.00 H new ATOM 0 HA MET B 154 50.468 -1.699 5.143 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.861 0.976 6.460 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.658 -0.467 7.433 1.00 0.00 H new ATOM 0 HG2 MET B 154 52.002 -1.166 6.920 1.00 0.00 H new ATOM 0 HG3 MET B 154 52.211 0.240 5.895 1.00 0.00 H new ATOM 0 HE1 MET B 154 51.680 -0.298 10.284 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.929 -1.431 8.934 1.00 0.00 H new ATOM 0 HE3 MET B 154 53.326 -0.632 9.694 1.00 0.00 H new ATOM 1552 N GLN B 155 47.381 -0.579 5.452 1.00 0.00 N ATOM 1553 CA GLN B 155 45.970 -1.069 5.566 1.00 0.00 C ATOM 1554 C GLN B 155 45.530 -1.741 4.258 1.00 0.00 C ATOM 1555 O GLN B 155 44.755 -2.679 4.266 1.00 0.00 O ATOM 1556 CB GLN B 155 45.129 0.182 5.826 1.00 0.00 C ATOM 1557 CG GLN B 155 45.029 0.437 7.331 1.00 0.00 C ATOM 1558 CD GLN B 155 43.786 1.281 7.622 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.655 2.381 7.125 1.00 0.00 O ATOM 1560 NE2 GLN B 155 42.861 0.811 8.409 1.00 0.00 N ATOM 0 H GLN B 155 47.482 0.434 5.389 1.00 0.00 H new ATOM 0 HA GLN B 155 45.860 -1.809 6.359 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.579 1.043 5.331 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.133 0.056 5.402 1.00 0.00 H new ATOM 0 HG2 GLN B 155 44.973 -0.510 7.868 1.00 0.00 H new ATOM 0 HG3 GLN B 155 45.923 0.952 7.684 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.969 -0.113 8.828 1.00 0.00 H new ATOM 0 HE22 GLN B 155 42.029 1.367 8.607 1.00 0.00 H new ATOM 1569 N ALA B 156 46.016 -1.264 3.135 1.00 0.00 N ATOM 1570 CA ALA B 156 45.628 -1.869 1.823 1.00 0.00 C ATOM 1571 C ALA B 156 46.096 -3.330 1.745 1.00 0.00 C ATOM 1572 O ALA B 156 45.371 -4.197 1.294 1.00 0.00 O ATOM 1573 CB ALA B 156 46.338 -1.019 0.765 1.00 0.00 C ATOM 0 H ALA B 156 46.666 -0.480 3.072 1.00 0.00 H new ATOM 0 HA ALA B 156 44.547 -1.878 1.681 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.102 -1.402 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.003 0.015 0.844 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.415 -1.065 0.925 1.00 0.00 H new ATOM 1579 N LEU B 157 47.300 -3.608 2.186 1.00 0.00 N ATOM 1580 CA LEU B 157 47.812 -5.014 2.141 1.00 0.00 C ATOM 1581 C LEU B 157 47.381 -5.778 3.400 1.00 0.00 C ATOM 1582 O LEU B 157 46.780 -6.832 3.316 1.00 0.00 O ATOM 1583 CB LEU B 157 49.338 -4.888 2.078 1.00 0.00 C ATOM 1584 CG LEU B 157 49.871 -5.719 0.909 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.591 -4.992 -0.407 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.380 -5.915 1.067 1.00 0.00 C ATOM 0 H LEU B 157 47.949 -2.923 2.574 1.00 0.00 H new ATOM 0 HA LEU B 157 47.419 -5.566 1.287 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.622 -3.843 1.955 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.781 -5.231 3.013 1.00 0.00 H new ATOM 0 HG LEU B 157 49.375 -6.690 0.902 1.00 0.00 H new ATOM 0 HD11 LEU B 157 49.971 -5.585 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU B 157 48.516 -4.851 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.085 -4.021 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.759 -6.507 0.234 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.874 -4.943 1.076 1.00 0.00 H new ATOM 0 HD23 LEU B 157 51.583 -6.434 2.003 1.00 0.00 H new ATOM 1598 N LEU B 158 47.677 -5.252 4.564 1.00 0.00 N ATOM 1599 CA LEU B 158 47.279 -5.946 5.827 1.00 0.00 C ATOM 1600 C LEU B 158 45.882 -5.477 6.264 1.00 0.00 C ATOM 1601 O LEU B 158 45.720 -4.821 7.277 1.00 0.00 O ATOM 1602 CB LEU B 158 48.344 -5.550 6.857 1.00 0.00 C ATOM 1603 CG LEU B 158 49.530 -6.515 6.763 1.00 0.00 C ATOM 1604 CD1 LEU B 158 50.814 -5.793 7.176 1.00 0.00 C ATOM 1605 CD2 LEU B 158 49.293 -7.706 7.697 1.00 0.00 C ATOM 0 H LEU B 158 48.177 -4.372 4.693 1.00 0.00 H new ATOM 0 HA LEU B 158 47.224 -7.028 5.710 1.00 0.00 H new ATOM 0 HB2 LEU B 158 48.678 -4.528 6.676 1.00 0.00 H new ATOM 0 HB3 LEU B 158 47.921 -5.574 7.861 1.00 0.00 H new ATOM 0 HG LEU B 158 49.628 -6.869 5.737 1.00 0.00 H new ATOM 0 HD11 LEU B 158 51.656 -6.481 7.108 1.00 0.00 H new ATOM 0 HD12 LEU B 158 50.984 -4.945 6.513 1.00 0.00 H new ATOM 0 HD13 LEU B 158 50.718 -5.437 8.202 1.00 0.00 H new ATOM 0 HD21 LEU B 158 50.136 -8.394 7.631 1.00 0.00 H new ATOM 0 HD22 LEU B 158 49.194 -7.350 8.723 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.380 -8.223 7.403 1.00 0.00 H new ATOM 1617 N GLY B 159 44.871 -5.813 5.501 1.00 0.00 N ATOM 1618 CA GLY B 159 43.482 -5.394 5.860 1.00 0.00 C ATOM 1619 C GLY B 159 42.466 -6.251 5.104 1.00 0.00 C ATOM 1620 O GLY B 159 41.693 -6.978 5.698 1.00 0.00 O ATOM 0 H GLY B 159 44.949 -6.360 4.644 1.00 0.00 H new ATOM 0 HA2 GLY B 159 43.329 -5.496 6.934 1.00 0.00 H new ATOM 0 HA3 GLY B 159 43.336 -4.342 5.616 1.00 0.00 H new ATOM 1624 N ALA B 160 42.460 -6.168 3.797 1.00 0.00 N ATOM 1625 CA ALA B 160 41.489 -6.975 2.995 1.00 0.00 C ATOM 1626 C ALA B 160 41.830 -8.470 3.086 1.00 0.00 C ATOM 1627 O ALA B 160 42.760 -8.939 2.459 1.00 0.00 O ATOM 1628 CB ALA B 160 41.642 -6.467 1.558 1.00 0.00 C ATOM 0 H ALA B 160 43.086 -5.576 3.250 1.00 0.00 H new ATOM 0 HA ALA B 160 40.466 -6.867 3.356 1.00 0.00 H new ATOM 0 HB1 ALA B 160 40.960 -7.012 0.905 1.00 0.00 H new ATOM 0 HB2 ALA B 160 41.407 -5.403 1.521 1.00 0.00 H new ATOM 0 HB3 ALA B 160 42.668 -6.624 1.224 1.00 0.00 H new ATOM 1634 N ARG B 161 41.072 -9.210 3.872 1.00 0.00 N ATOM 1635 CA ARG B 161 41.302 -10.692 4.046 1.00 0.00 C ATOM 1636 C ARG B 161 42.594 -10.979 4.832 1.00 0.00 C ATOM 1637 O ARG B 161 42.572 -11.683 5.824 1.00 0.00 O ATOM 1638 CB ARG B 161 41.380 -11.296 2.635 1.00 0.00 C ATOM 1639 CG ARG B 161 40.117 -10.945 1.842 1.00 0.00 C ATOM 1640 CD ARG B 161 40.500 -10.573 0.407 1.00 0.00 C ATOM 1641 NE ARG B 161 39.516 -9.528 0.006 1.00 0.00 N ATOM 1642 CZ ARG B 161 38.451 -9.856 -0.667 1.00 0.00 C ATOM 1643 NH1 ARG B 161 37.408 -10.327 -0.045 1.00 0.00 N ATOM 1644 NH2 ARG B 161 38.433 -9.720 -1.962 1.00 0.00 N ATOM 0 H ARG B 161 40.288 -8.843 4.411 1.00 0.00 H new ATOM 0 HA ARG B 161 40.489 -11.135 4.622 1.00 0.00 H new ATOM 0 HB2 ARG B 161 42.261 -10.917 2.117 1.00 0.00 H new ATOM 0 HB3 ARG B 161 41.489 -12.379 2.700 1.00 0.00 H new ATOM 0 HG2 ARG B 161 39.430 -11.792 1.838 1.00 0.00 H new ATOM 0 HG3 ARG B 161 39.596 -10.114 2.317 1.00 0.00 H new ATOM 0 HD2 ARG B 161 41.521 -10.195 0.356 1.00 0.00 H new ATOM 0 HD3 ARG B 161 40.448 -11.439 -0.253 1.00 0.00 H new ATOM 0 HE ARG B 161 39.677 -8.553 0.260 1.00 0.00 H new ATOM 0 HH11 ARG B 161 37.426 -10.439 0.969 1.00 0.00 H new ATOM 0 HH12 ARG B 161 36.573 -10.584 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG B 161 39.253 -9.357 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG B 161 37.599 -9.977 -2.490 1.00 0.00 H new ATOM 1658 N ALA B 162 43.714 -10.453 4.402 1.00 0.00 N ATOM 1659 CA ALA B 162 44.995 -10.709 5.127 1.00 0.00 C ATOM 1660 C ALA B 162 45.353 -9.506 6.005 1.00 0.00 C ATOM 1661 O ALA B 162 45.613 -8.428 5.512 1.00 0.00 O ATOM 1662 CB ALA B 162 46.040 -10.906 4.024 1.00 0.00 C ATOM 0 H ALA B 162 43.796 -9.856 3.579 1.00 0.00 H new ATOM 0 HA ALA B 162 44.934 -11.574 5.787 1.00 0.00 H new ATOM 0 HB1 ALA B 162 47.013 -11.100 4.475 1.00 0.00 H new ATOM 0 HB2 ALA B 162 45.755 -11.752 3.399 1.00 0.00 H new ATOM 0 HB3 ALA B 162 46.097 -10.006 3.412 1.00 0.00 H new ATOM 1668 N LYS B 163 45.366 -9.683 7.301 1.00 0.00 N ATOM 1669 CA LYS B 163 45.705 -8.546 8.212 1.00 0.00 C ATOM 1670 C LYS B 163 46.338 -9.057 9.517 1.00 0.00 C ATOM 1671 O LYS B 163 47.052 -8.291 10.142 1.00 0.00 O ATOM 1672 CB LYS B 163 44.369 -7.839 8.485 1.00 0.00 C ATOM 1673 CG LYS B 163 43.369 -8.813 9.125 1.00 0.00 C ATOM 1674 CD LYS B 163 42.842 -8.229 10.443 1.00 0.00 C ATOM 1675 CE LYS B 163 43.986 -8.103 11.458 1.00 0.00 C ATOM 1676 NZ LYS B 163 44.229 -9.489 11.955 1.00 0.00 N ATOM 1677 OXT LYS B 163 46.095 -10.201 9.872 1.00 0.00 O ATOM 0 H LYS B 163 45.157 -10.565 7.769 1.00 0.00 H new ATOM 0 HA LYS B 163 46.436 -7.871 7.767 1.00 0.00 H new ATOM 0 HB2 LYS B 163 44.530 -6.987 9.145 1.00 0.00 H new ATOM 0 HB3 LYS B 163 43.960 -7.448 7.553 1.00 0.00 H new ATOM 0 HG2 LYS B 163 42.540 -8.998 8.442 1.00 0.00 H new ATOM 0 HG3 LYS B 163 43.850 -9.773 9.309 1.00 0.00 H new ATOM 0 HD2 LYS B 163 42.395 -7.251 10.264 1.00 0.00 H new ATOM 0 HD3 LYS B 163 42.057 -8.869 10.846 1.00 0.00 H new ATOM 0 HE2 LYS B 163 44.881 -7.690 10.992 1.00 0.00 H new ATOM 0 HE3 LYS B 163 43.715 -7.435 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 44.820 -9.453 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 43.320 -9.941 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 44.716 -10.041 11.220 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.357 -3.310 -2.198 1.00 0.00 CA HETATM 1693 OAA SXK A 91 59.557 11.326 -0.774 1.00 20.00 O HETATM 1694 OAB SXK A 91 59.567 12.116 -2.849 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.190 1.749 -0.362 1.00 20.00 C HETATM 1696 CAF SXK A 91 56.872 7.257 -2.600 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.362 7.121 -0.638 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.665 5.861 -2.545 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.160 5.725 -0.577 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.392 3.151 -0.403 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.411 1.476 -2.462 1.00 20.00 C HETATM 1702 CAL SXK A 91 58.926 9.849 -2.564 1.00 20.00 C HETATM 1703 OAM SXK A 91 57.846 9.243 -1.812 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.387 11.208 -2.014 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.700 0.934 -1.389 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.721 7.885 -1.643 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.619 2.874 -2.514 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.311 5.095 -1.532 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.106 3.706 -1.481 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.497 -0.410 -1.332 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.317 3.379 -3.575 1.00 20.00 F HETATM 0 HALA SXK A 91 59.775 9.166 -2.574 1.00 20.00 H new HETATM 0 HAL SXK A 91 58.607 9.977 -3.599 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.800 0.830 -3.249 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.000 3.790 0.389 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.650 5.133 0.196 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.016 5.373 -3.272 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.011 7.610 0.088 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.384 7.852 -3.372 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.639 1.302 0.466 1.00 20.00 H new