USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=28 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 Set 1.1: A 45 MET CE :methyl -159:sc= -2.97! (180deg=-3.28!) USER MOD Set 1.2: B 153 MET CE :methyl -156:sc= -2.43 (180deg=-3.82!) USER MOD Set 2.1: A 37 SER OG : rot 170:sc= -0.3 USER MOD Set 2.2: A 38 THR OG1 : rot 101:sc= 1.11 USER MOD Set 2.3: A 39 LYS NZ :NH3+ 175:sc= 0.925 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.000821) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0.866 (180deg=0.824) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 16 GLN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0.363 (180deg=0.24) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0.898 (180deg=0.606) USER MOD Single : A 35 CYS SG : rot -143:sc= 0.473 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 1.26 (180deg=0.863) USER MOD Single : A 47 MET CE :methyl -151:sc=-0.00104 (180deg=-0.149) USER MOD Single : A 50 GLN : amide:sc= 0.0615 K(o=0.062,f=-10!) USER MOD Single : A 51 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 58 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.69) USER MOD Single : A 60 MET CE :methyl 163:sc= 0 (180deg=-0.215) USER MOD Single : A 69 SER OG : rot -58:sc= 0.564 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 80 MET CE :methyl 165:sc= 0 (180deg=-0.742) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.179 (180deg=-1.01) USER MOD Single : A 84 CYS SG : rot 170:sc= 0 USER MOD Single : A 85 MET CE :methyl -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= 1.44 (180deg=-0.0554) USER MOD Single : A 89 SER OG : rot 44:sc= 0.169 USER MOD Single : A 91 SXK OAB : rot -140:sc= -0.124 USER MOD Single : B 149 SER OG : rot 180:sc= 0 USER MOD Single : B 154 MET CE :methyl -146:sc= -1.09 (180deg=-3.44!) USER MOD Single : B 155 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.53) USER MOD Single : B 163 LYS NZ :NH3+ 175:sc= 0.329 (180deg=0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.380 6.737 2.347 1.00 0.00 N ATOM 2 CA MET A 1 72.898 6.293 3.691 1.00 0.00 C ATOM 3 C MET A 1 72.129 7.427 4.381 1.00 0.00 C ATOM 4 O MET A 1 72.479 8.586 4.259 1.00 0.00 O ATOM 5 CB MET A 1 74.163 5.937 4.482 1.00 0.00 C ATOM 6 CG MET A 1 74.691 4.572 4.028 1.00 0.00 C ATOM 7 SD MET A 1 75.532 3.761 5.411 1.00 0.00 S ATOM 8 CE MET A 1 77.078 3.385 4.547 1.00 0.00 C ATOM 0 H1 MET A 1 73.884 5.955 1.883 1.00 0.00 H new ATOM 0 H2 MET A 1 72.567 7.020 1.763 1.00 0.00 H new ATOM 0 H3 MET A 1 74.024 7.546 2.459 1.00 0.00 H new ATOM 0 HA MET A 1 72.217 5.445 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 74.925 6.701 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 73.942 5.915 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 73.868 3.951 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 75.379 4.696 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 77.759 2.872 5.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.869 2.744 3.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.538 4.312 4.203 1.00 0.00 H new ATOM 20 N ASP A 2 71.083 7.102 5.101 1.00 0.00 N ATOM 21 CA ASP A 2 70.292 8.165 5.796 1.00 0.00 C ATOM 22 C ASP A 2 70.805 8.360 7.231 1.00 0.00 C ATOM 23 O ASP A 2 71.524 7.533 7.764 1.00 0.00 O ATOM 24 CB ASP A 2 68.847 7.652 5.796 1.00 0.00 C ATOM 25 CG ASP A 2 67.879 8.834 5.903 1.00 0.00 C ATOM 26 OD1 ASP A 2 67.801 9.418 6.971 1.00 0.00 O ATOM 27 OD2 ASP A 2 67.229 9.131 4.916 1.00 0.00 O ATOM 0 H ASP A 2 70.744 6.150 5.237 1.00 0.00 H new ATOM 0 HA ASP A 2 70.376 9.133 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.650 7.090 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 2 68.694 6.968 6.630 1.00 0.00 H new ATOM 32 N ASP A 3 70.445 9.455 7.851 1.00 0.00 N ATOM 33 CA ASP A 3 70.910 9.728 9.248 1.00 0.00 C ATOM 34 C ASP A 3 69.723 9.896 10.214 1.00 0.00 C ATOM 35 O ASP A 3 69.751 9.396 11.322 1.00 0.00 O ATOM 36 CB ASP A 3 71.725 11.032 9.161 1.00 0.00 C ATOM 37 CG ASP A 3 70.958 12.098 8.370 1.00 0.00 C ATOM 38 OD1 ASP A 3 71.075 12.106 7.156 1.00 0.00 O ATOM 39 OD2 ASP A 3 70.267 12.887 8.993 1.00 0.00 O ATOM 0 H ASP A 3 69.846 10.176 7.449 1.00 0.00 H new ATOM 0 HA ASP A 3 71.502 8.899 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 3 71.939 11.400 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 3 72.684 10.836 8.682 1.00 0.00 H new ATOM 44 N ILE A 4 68.692 10.605 9.816 1.00 0.00 N ATOM 45 CA ILE A 4 67.522 10.814 10.733 1.00 0.00 C ATOM 46 C ILE A 4 66.418 9.767 10.492 1.00 0.00 C ATOM 47 O ILE A 4 65.814 9.278 11.428 1.00 0.00 O ATOM 48 CB ILE A 4 67.018 12.236 10.431 1.00 0.00 C ATOM 49 CG1 ILE A 4 65.949 12.624 11.459 1.00 0.00 C ATOM 50 CG2 ILE A 4 66.416 12.306 9.022 1.00 0.00 C ATOM 51 CD1 ILE A 4 66.186 14.060 11.936 1.00 0.00 C ATOM 0 H ILE A 4 68.609 11.047 8.900 1.00 0.00 H new ATOM 0 HA ILE A 4 67.809 10.700 11.778 1.00 0.00 H new ATOM 0 HB ILE A 4 67.859 12.926 10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 4 64.957 12.537 11.016 1.00 0.00 H new ATOM 0 HG13 ILE A 4 65.981 11.939 12.307 1.00 0.00 H new ATOM 0 HG21 ILE A 4 66.065 13.319 8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.176 12.037 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 4 65.579 11.612 8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 4 65.424 14.331 12.666 1.00 0.00 H new ATOM 0 HD12 ILE A 4 67.172 14.133 12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 4 66.132 14.740 11.086 1.00 0.00 H new ATOM 63 N TYR A 5 66.151 9.418 9.258 1.00 0.00 N ATOM 64 CA TYR A 5 65.084 8.402 8.979 1.00 0.00 C ATOM 65 C TYR A 5 65.602 6.995 9.287 1.00 0.00 C ATOM 66 O TYR A 5 64.885 6.171 9.826 1.00 0.00 O ATOM 67 CB TYR A 5 64.752 8.551 7.493 1.00 0.00 C ATOM 68 CG TYR A 5 64.082 9.885 7.261 1.00 0.00 C ATOM 69 CD1 TYR A 5 62.847 10.163 7.860 1.00 0.00 C ATOM 70 CD2 TYR A 5 64.699 10.845 6.453 1.00 0.00 C ATOM 71 CE1 TYR A 5 62.230 11.401 7.647 1.00 0.00 C ATOM 72 CE2 TYR A 5 64.082 12.083 6.240 1.00 0.00 C ATOM 73 CZ TYR A 5 62.848 12.361 6.838 1.00 0.00 C ATOM 74 OH TYR A 5 62.240 13.581 6.627 1.00 0.00 O ATOM 0 H TYR A 5 66.622 9.790 8.433 1.00 0.00 H new ATOM 0 HA TYR A 5 64.200 8.555 9.599 1.00 0.00 H new ATOM 0 HB2 TYR A 5 65.662 8.480 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 5 64.096 7.741 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.371 9.423 8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 5 65.652 10.631 5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 5 61.277 11.615 8.107 1.00 0.00 H new ATOM 0 HE2 TYR A 5 64.558 12.823 5.614 1.00 0.00 H new ATOM 0 HH TYR A 5 62.803 14.130 6.043 1.00 0.00 H new ATOM 84 N LYS A 6 66.845 6.718 8.972 1.00 0.00 N ATOM 85 CA LYS A 6 67.405 5.366 9.275 1.00 0.00 C ATOM 86 C LYS A 6 67.485 5.175 10.795 1.00 0.00 C ATOM 87 O LYS A 6 67.225 4.104 11.303 1.00 0.00 O ATOM 88 CB LYS A 6 68.802 5.351 8.649 1.00 0.00 C ATOM 89 CG LYS A 6 69.412 3.956 8.799 1.00 0.00 C ATOM 90 CD LYS A 6 70.307 3.656 7.594 1.00 0.00 C ATOM 91 CE LYS A 6 71.712 4.219 7.840 1.00 0.00 C ATOM 92 NZ LYS A 6 72.456 3.122 8.527 1.00 0.00 N ATOM 0 H LYS A 6 67.491 7.366 8.521 1.00 0.00 H new ATOM 0 HA LYS A 6 66.788 4.560 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 6 68.743 5.623 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.438 6.092 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.993 3.899 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.622 3.209 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.360 2.580 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.881 4.098 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.195 4.496 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.674 5.117 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.457 3.388 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.049 2.965 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.381 2.248 7.968 1.00 0.00 H new ATOM 106 N ALA A 7 67.828 6.216 11.522 1.00 0.00 N ATOM 107 CA ALA A 7 67.911 6.105 13.014 1.00 0.00 C ATOM 108 C ALA A 7 66.572 5.612 13.585 1.00 0.00 C ATOM 109 O ALA A 7 66.539 4.749 14.443 1.00 0.00 O ATOM 110 CB ALA A 7 68.222 7.521 13.508 1.00 0.00 C ATOM 0 H ALA A 7 68.054 7.137 11.145 1.00 0.00 H new ATOM 0 HA ALA A 7 68.672 5.392 13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.298 7.519 14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.166 7.857 13.079 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.424 8.197 13.201 1.00 0.00 H new ATOM 116 N ALA A 8 65.470 6.143 13.104 1.00 0.00 N ATOM 117 CA ALA A 8 64.130 5.693 13.604 1.00 0.00 C ATOM 118 C ALA A 8 63.937 4.197 13.314 1.00 0.00 C ATOM 119 O ALA A 8 63.414 3.461 14.128 1.00 0.00 O ATOM 120 CB ALA A 8 63.103 6.529 12.829 1.00 0.00 C ATOM 0 H ALA A 8 65.441 6.868 12.387 1.00 0.00 H new ATOM 0 HA ALA A 8 64.027 5.828 14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.097 6.253 13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.269 7.587 13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.213 6.342 11.761 1.00 0.00 H new ATOM 126 N VAL A 9 64.368 3.746 12.160 1.00 0.00 N ATOM 127 CA VAL A 9 64.225 2.299 11.807 1.00 0.00 C ATOM 128 C VAL A 9 65.259 1.460 12.569 1.00 0.00 C ATOM 129 O VAL A 9 64.943 0.412 13.100 1.00 0.00 O ATOM 130 CB VAL A 9 64.472 2.241 10.298 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.625 0.785 9.845 1.00 0.00 C ATOM 132 CG2 VAL A 9 63.285 2.877 9.573 1.00 0.00 C ATOM 0 H VAL A 9 64.814 4.321 11.445 1.00 0.00 H new ATOM 0 HA VAL A 9 63.247 1.898 12.073 1.00 0.00 H new ATOM 0 HB VAL A 9 65.387 2.783 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 9 64.800 0.755 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.469 0.330 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.715 0.233 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 9 63.453 2.840 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 9 62.374 2.330 9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 9 63.180 3.915 9.888 1.00 0.00 H new ATOM 142 N GLU A 10 66.486 1.918 12.636 1.00 0.00 N ATOM 143 CA GLU A 10 67.539 1.153 13.377 1.00 0.00 C ATOM 144 C GLU A 10 67.103 0.952 14.835 1.00 0.00 C ATOM 145 O GLU A 10 67.343 -0.082 15.427 1.00 0.00 O ATOM 146 CB GLU A 10 68.802 2.018 13.302 1.00 0.00 C ATOM 147 CG GLU A 10 69.402 1.929 11.892 1.00 0.00 C ATOM 148 CD GLU A 10 70.567 2.916 11.750 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.406 4.063 12.137 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.598 2.510 11.240 1.00 0.00 O ATOM 0 H GLU A 10 66.804 2.788 12.210 1.00 0.00 H new ATOM 0 HA GLU A 10 67.710 0.164 12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.561 3.054 13.541 1.00 0.00 H new ATOM 0 HB3 GLU A 10 69.530 1.682 14.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.750 0.914 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.636 2.149 11.148 1.00 0.00 H new ATOM 157 N GLN A 11 66.451 1.933 15.410 1.00 0.00 N ATOM 158 CA GLN A 11 65.983 1.812 16.811 1.00 0.00 C ATOM 159 C GLN A 11 64.450 1.654 16.835 1.00 0.00 C ATOM 160 O GLN A 11 63.755 2.322 17.579 1.00 0.00 O ATOM 161 CB GLN A 11 66.422 3.127 17.454 1.00 0.00 C ATOM 162 CG GLN A 11 66.193 3.058 18.957 1.00 0.00 C ATOM 163 CD GLN A 11 67.502 2.702 19.664 1.00 0.00 C ATOM 164 OE1 GLN A 11 67.684 1.584 20.100 1.00 0.00 O ATOM 165 NE2 GLN A 11 68.431 3.608 19.794 1.00 0.00 N ATOM 0 H GLN A 11 66.225 2.819 14.957 1.00 0.00 H new ATOM 0 HA GLN A 11 66.387 0.946 17.336 1.00 0.00 H new ATOM 0 HB2 GLN A 11 67.475 3.313 17.244 1.00 0.00 H new ATOM 0 HB3 GLN A 11 65.860 3.958 17.028 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.820 4.015 19.322 1.00 0.00 H new ATOM 0 HG3 GLN A 11 65.431 2.312 19.184 1.00 0.00 H new ATOM 0 HE21 GLN A 11 68.281 4.548 19.429 1.00 0.00 H new ATOM 0 HE22 GLN A 11 69.308 3.376 20.261 1.00 0.00 H new ATOM 174 N LEU A 12 63.923 0.773 16.018 1.00 0.00 N ATOM 175 CA LEU A 12 62.441 0.564 15.977 1.00 0.00 C ATOM 176 C LEU A 12 61.994 -0.371 17.106 1.00 0.00 C ATOM 177 O LEU A 12 62.733 -1.240 17.533 1.00 0.00 O ATOM 178 CB LEU A 12 62.167 -0.085 14.616 1.00 0.00 C ATOM 179 CG LEU A 12 61.366 0.874 13.735 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.237 0.285 12.329 1.00 0.00 C ATOM 181 CD2 LEU A 12 59.969 1.071 14.330 1.00 0.00 C ATOM 0 H LEU A 12 64.458 0.188 15.376 1.00 0.00 H new ATOM 0 HA LEU A 12 61.897 1.500 16.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.108 -0.340 14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 12 61.615 -1.015 14.751 1.00 0.00 H new ATOM 0 HG LEU A 12 61.880 1.834 13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.666 0.968 11.700 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.230 0.142 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.723 -0.675 12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.399 1.755 13.701 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.456 0.111 14.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.056 1.488 15.333 1.00 0.00 H new ATOM 193 N THR A 13 60.785 -0.208 17.581 1.00 0.00 N ATOM 194 CA THR A 13 60.280 -1.097 18.676 1.00 0.00 C ATOM 195 C THR A 13 59.750 -2.400 18.085 1.00 0.00 C ATOM 196 O THR A 13 59.321 -2.447 16.946 1.00 0.00 O ATOM 197 CB THR A 13 59.152 -0.317 19.368 1.00 0.00 C ATOM 198 OG1 THR A 13 58.178 0.071 18.408 1.00 0.00 O ATOM 199 CG2 THR A 13 59.725 0.929 20.046 1.00 0.00 C ATOM 0 H THR A 13 60.125 0.501 17.260 1.00 0.00 H new ATOM 0 HA THR A 13 61.068 -1.359 19.382 1.00 0.00 H new ATOM 0 HB THR A 13 58.686 -0.955 20.119 1.00 0.00 H new ATOM 0 HG1 THR A 13 57.459 0.567 18.853 1.00 0.00 H new ATOM 0 HG21 THR A 13 58.921 1.479 20.535 1.00 0.00 H new ATOM 0 HG22 THR A 13 60.465 0.631 20.788 1.00 0.00 H new ATOM 0 HG23 THR A 13 60.197 1.566 19.298 1.00 0.00 H new ATOM 207 N GLU A 14 59.786 -3.462 18.847 1.00 0.00 N ATOM 208 CA GLU A 14 59.295 -4.771 18.325 1.00 0.00 C ATOM 209 C GLU A 14 57.839 -4.656 17.849 1.00 0.00 C ATOM 210 O GLU A 14 57.435 -5.315 16.910 1.00 0.00 O ATOM 211 CB GLU A 14 59.415 -5.751 19.497 1.00 0.00 C ATOM 212 CG GLU A 14 59.649 -7.169 18.960 1.00 0.00 C ATOM 213 CD GLU A 14 60.953 -7.213 18.155 1.00 0.00 C ATOM 214 OE1 GLU A 14 62.008 -7.180 18.767 1.00 0.00 O ATOM 215 OE2 GLU A 14 60.875 -7.276 16.939 1.00 0.00 O ATOM 0 H GLU A 14 60.133 -3.479 19.806 1.00 0.00 H new ATOM 0 HA GLU A 14 59.873 -5.105 17.464 1.00 0.00 H new ATOM 0 HB2 GLU A 14 60.239 -5.457 20.147 1.00 0.00 H new ATOM 0 HB3 GLU A 14 58.508 -5.725 20.100 1.00 0.00 H new ATOM 0 HG2 GLU A 14 59.698 -7.877 19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 14 58.812 -7.472 18.330 1.00 0.00 H new ATOM 222 N GLU A 15 57.056 -3.813 18.478 1.00 0.00 N ATOM 223 CA GLU A 15 55.631 -3.645 18.052 1.00 0.00 C ATOM 224 C GLU A 15 55.577 -3.155 16.597 1.00 0.00 C ATOM 225 O GLU A 15 54.854 -3.694 15.780 1.00 0.00 O ATOM 226 CB GLU A 15 55.037 -2.591 18.998 1.00 0.00 C ATOM 227 CG GLU A 15 55.149 -3.066 20.453 1.00 0.00 C ATOM 228 CD GLU A 15 56.226 -2.255 21.180 1.00 0.00 C ATOM 229 OE1 GLU A 15 57.385 -2.627 21.085 1.00 0.00 O ATOM 230 OE2 GLU A 15 55.875 -1.274 21.814 1.00 0.00 O ATOM 0 H GLU A 15 57.342 -3.234 19.268 1.00 0.00 H new ATOM 0 HA GLU A 15 55.075 -4.581 18.101 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.562 -1.644 18.875 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.992 -2.412 18.745 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.190 -2.950 20.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.398 -4.127 20.481 1.00 0.00 H new ATOM 237 N GLN A 16 56.350 -2.146 16.263 1.00 0.00 N ATOM 238 CA GLN A 16 56.350 -1.636 14.857 1.00 0.00 C ATOM 239 C GLN A 16 57.165 -2.561 13.948 1.00 0.00 C ATOM 240 O GLN A 16 56.905 -2.668 12.763 1.00 0.00 O ATOM 241 CB GLN A 16 56.977 -0.245 14.919 1.00 0.00 C ATOM 242 CG GLN A 16 55.866 0.790 15.097 1.00 0.00 C ATOM 243 CD GLN A 16 56.253 2.094 14.397 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.027 2.869 14.916 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.744 2.369 13.228 1.00 0.00 N ATOM 0 H GLN A 16 56.977 -1.657 16.902 1.00 0.00 H new ATOM 0 HA GLN A 16 55.342 -1.600 14.443 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.683 -0.186 15.747 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.538 -0.043 14.007 1.00 0.00 H new ATOM 0 HG2 GLN A 16 54.932 0.409 14.684 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.694 0.973 16.158 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.092 1.718 12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 16 55.998 3.235 12.752 1.00 0.00 H new ATOM 254 N LYS A 17 58.136 -3.240 14.498 1.00 0.00 N ATOM 255 CA LYS A 17 58.965 -4.180 13.677 1.00 0.00 C ATOM 256 C LYS A 17 58.065 -5.271 13.080 1.00 0.00 C ATOM 257 O LYS A 17 58.134 -5.570 11.902 1.00 0.00 O ATOM 258 CB LYS A 17 59.986 -4.787 14.649 1.00 0.00 C ATOM 259 CG LYS A 17 61.193 -3.852 14.781 1.00 0.00 C ATOM 260 CD LYS A 17 61.905 -4.110 16.115 1.00 0.00 C ATOM 261 CE LYS A 17 63.342 -4.576 15.859 1.00 0.00 C ATOM 262 NZ LYS A 17 63.480 -5.852 16.621 1.00 0.00 N ATOM 0 H LYS A 17 58.394 -3.186 15.483 1.00 0.00 H new ATOM 0 HA LYS A 17 59.462 -3.678 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.526 -4.942 15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.308 -5.764 14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.883 -4.014 13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.868 -2.813 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.910 -3.201 16.716 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.365 -4.866 16.685 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.522 -4.731 14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.064 -3.834 16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.381 -6.308 16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.462 -5.651 17.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.693 -6.487 16.380 1.00 0.00 H new ATOM 276 N ASN A 18 57.207 -5.850 13.887 1.00 0.00 N ATOM 277 CA ASN A 18 56.280 -6.908 13.377 1.00 0.00 C ATOM 278 C ASN A 18 55.186 -6.270 12.504 1.00 0.00 C ATOM 279 O ASN A 18 54.744 -6.851 11.531 1.00 0.00 O ATOM 280 CB ASN A 18 55.674 -7.545 14.633 1.00 0.00 C ATOM 281 CG ASN A 18 54.870 -8.790 14.246 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.401 -9.714 13.666 1.00 0.00 O ATOM 283 ND2 ASN A 18 53.604 -8.855 14.544 1.00 0.00 N ATOM 0 H ASN A 18 57.110 -5.634 14.879 1.00 0.00 H new ATOM 0 HA ASN A 18 56.789 -7.646 12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.465 -7.814 15.333 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.029 -6.828 15.141 1.00 0.00 H new ATOM 0 HD21 ASN A 18 53.062 -9.681 14.290 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.154 -8.080 15.032 1.00 0.00 H new ATOM 290 N GLU A 19 54.761 -5.072 12.840 1.00 0.00 N ATOM 291 CA GLU A 19 53.710 -4.380 12.029 1.00 0.00 C ATOM 292 C GLU A 19 54.216 -4.183 10.590 1.00 0.00 C ATOM 293 O GLU A 19 53.537 -4.515 9.635 1.00 0.00 O ATOM 294 CB GLU A 19 53.485 -3.036 12.746 1.00 0.00 C ATOM 295 CG GLU A 19 53.082 -1.948 11.742 1.00 0.00 C ATOM 296 CD GLU A 19 53.173 -0.574 12.409 1.00 0.00 C ATOM 297 OE1 GLU A 19 54.249 0.000 12.389 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.166 -0.119 12.926 1.00 0.00 O ATOM 0 H GLU A 19 55.100 -4.544 13.644 1.00 0.00 H new ATOM 0 HA GLU A 19 52.781 -4.945 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.707 -3.147 13.502 1.00 0.00 H new ATOM 0 HB3 GLU A 19 54.395 -2.739 13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 19 53.735 -1.984 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.067 -2.125 11.387 1.00 0.00 H new ATOM 305 N PHE A 20 55.411 -3.664 10.430 1.00 0.00 N ATOM 306 CA PHE A 20 55.971 -3.464 9.054 1.00 0.00 C ATOM 307 C PHE A 20 56.255 -4.820 8.399 1.00 0.00 C ATOM 308 O PHE A 20 56.137 -4.972 7.198 1.00 0.00 O ATOM 309 CB PHE A 20 57.276 -2.688 9.254 1.00 0.00 C ATOM 310 CG PHE A 20 56.979 -1.212 9.384 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.293 -0.538 8.365 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.395 -0.517 10.526 1.00 0.00 C ATOM 313 CE1 PHE A 20 56.024 0.829 8.492 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.126 0.850 10.651 1.00 0.00 C ATOM 315 CZ PHE A 20 56.440 1.524 9.634 1.00 0.00 C ATOM 0 H PHE A 20 56.022 -3.370 11.192 1.00 0.00 H new ATOM 0 HA PHE A 20 55.277 -2.929 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.789 -3.045 10.147 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.945 -2.861 8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.972 -1.073 7.483 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.924 -1.037 11.311 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.494 1.349 7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.448 1.385 11.532 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.232 2.579 9.730 1.00 0.00 H new ATOM 325 N LYS A 21 56.620 -5.808 9.186 1.00 0.00 N ATOM 326 CA LYS A 21 56.902 -7.164 8.622 1.00 0.00 C ATOM 327 C LYS A 21 55.657 -7.687 7.890 1.00 0.00 C ATOM 328 O LYS A 21 55.746 -8.190 6.787 1.00 0.00 O ATOM 329 CB LYS A 21 57.250 -8.035 9.843 1.00 0.00 C ATOM 330 CG LYS A 21 56.910 -9.508 9.575 1.00 0.00 C ATOM 331 CD LYS A 21 57.778 -10.044 8.430 1.00 0.00 C ATOM 332 CE LYS A 21 57.904 -11.568 8.546 1.00 0.00 C ATOM 333 NZ LYS A 21 56.619 -12.112 8.012 1.00 0.00 N ATOM 0 H LYS A 21 56.734 -5.730 10.197 1.00 0.00 H new ATOM 0 HA LYS A 21 57.713 -7.165 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.311 -7.938 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 56.700 -7.683 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.076 -10.098 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.855 -9.606 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 21 57.335 -9.778 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.766 -9.584 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.755 -11.937 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 21 58.060 -11.872 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.441 -13.050 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 55.840 -11.470 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 56.681 -12.195 6.977 1.00 0.00 H new ATOM 347 N ALA A 22 54.499 -7.555 8.492 1.00 0.00 N ATOM 348 CA ALA A 22 53.243 -8.029 7.832 1.00 0.00 C ATOM 349 C ALA A 22 53.039 -7.303 6.490 1.00 0.00 C ATOM 350 O ALA A 22 52.716 -7.917 5.491 1.00 0.00 O ATOM 351 CB ALA A 22 52.124 -7.687 8.817 1.00 0.00 C ATOM 0 H ALA A 22 54.370 -7.138 9.414 1.00 0.00 H new ATOM 0 HA ALA A 22 53.269 -9.095 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.166 -8.004 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.301 -8.202 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.106 -6.611 8.988 1.00 0.00 H new ATOM 357 N ALA A 23 53.244 -6.003 6.457 1.00 0.00 N ATOM 358 CA ALA A 23 53.078 -5.244 5.173 1.00 0.00 C ATOM 359 C ALA A 23 54.129 -5.705 4.153 1.00 0.00 C ATOM 360 O ALA A 23 53.827 -5.934 2.997 1.00 0.00 O ATOM 361 CB ALA A 23 53.293 -3.770 5.537 1.00 0.00 C ATOM 0 H ALA A 23 53.518 -5.438 7.261 1.00 0.00 H new ATOM 0 HA ALA A 23 52.098 -5.407 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.186 -3.155 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.553 -3.466 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.293 -3.639 5.950 1.00 0.00 H new ATOM 367 N PHE A 24 55.357 -5.850 4.583 1.00 0.00 N ATOM 368 CA PHE A 24 56.442 -6.306 3.660 1.00 0.00 C ATOM 369 C PHE A 24 56.193 -7.762 3.220 1.00 0.00 C ATOM 370 O PHE A 24 56.427 -8.119 2.080 1.00 0.00 O ATOM 371 CB PHE A 24 57.724 -6.198 4.497 1.00 0.00 C ATOM 372 CG PHE A 24 58.928 -6.548 3.654 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.276 -7.888 3.457 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.699 -5.533 3.077 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.393 -8.214 2.681 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.817 -5.859 2.300 1.00 0.00 C ATOM 377 CZ PHE A 24 61.164 -7.199 2.102 1.00 0.00 C ATOM 0 H PHE A 24 55.657 -5.671 5.541 1.00 0.00 H new ATOM 0 HA PHE A 24 56.496 -5.713 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.827 -5.186 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.664 -6.868 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.682 -8.671 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.432 -4.498 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.661 -9.249 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.411 -5.076 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.026 -7.451 1.503 1.00 0.00 H new ATOM 387 N ASP A 25 55.723 -8.596 4.120 1.00 0.00 N ATOM 388 CA ASP A 25 55.456 -10.033 3.777 1.00 0.00 C ATOM 389 C ASP A 25 54.522 -10.145 2.563 1.00 0.00 C ATOM 390 O ASP A 25 54.826 -10.825 1.601 1.00 0.00 O ATOM 391 CB ASP A 25 54.788 -10.621 5.026 1.00 0.00 C ATOM 392 CG ASP A 25 54.871 -12.147 4.982 1.00 0.00 C ATOM 393 OD1 ASP A 25 55.903 -12.675 5.361 1.00 0.00 O ATOM 394 OD2 ASP A 25 53.900 -12.760 4.573 1.00 0.00 O ATOM 0 H ASP A 25 55.511 -8.341 5.085 1.00 0.00 H new ATOM 0 HA ASP A 25 56.371 -10.562 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 25 55.279 -10.246 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 25 53.746 -10.305 5.077 1.00 0.00 H new ATOM 399 N ILE A 26 53.393 -9.484 2.595 1.00 0.00 N ATOM 400 CA ILE A 26 52.449 -9.558 1.434 1.00 0.00 C ATOM 401 C ILE A 26 53.039 -8.819 0.219 1.00 0.00 C ATOM 402 O ILE A 26 52.744 -9.147 -0.915 1.00 0.00 O ATOM 403 CB ILE A 26 51.158 -8.880 1.918 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.560 -9.686 3.078 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.140 -8.819 0.774 1.00 0.00 C ATOM 406 CD1 ILE A 26 49.809 -8.743 4.021 1.00 0.00 C ATOM 0 H ILE A 26 53.083 -8.898 3.370 1.00 0.00 H new ATOM 0 HA ILE A 26 52.266 -10.584 1.116 1.00 0.00 H new ATOM 0 HB ILE A 26 51.391 -7.869 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.883 -10.449 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.351 -10.205 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.227 -8.337 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.557 -8.247 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 26 49.910 -9.830 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.384 -9.315 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.499 -7.997 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.008 -8.244 3.475 1.00 0.00 H new ATOM 418 N PHE A 27 53.872 -7.830 0.447 1.00 0.00 N ATOM 419 CA PHE A 27 54.481 -7.077 -0.696 1.00 0.00 C ATOM 420 C PHE A 27 55.405 -7.984 -1.525 1.00 0.00 C ATOM 421 O PHE A 27 55.520 -7.826 -2.725 1.00 0.00 O ATOM 422 CB PHE A 27 55.284 -5.940 -0.056 1.00 0.00 C ATOM 423 CG PHE A 27 55.046 -4.663 -0.827 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.464 -4.561 -2.160 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.402 -3.583 -0.213 1.00 0.00 C ATOM 426 CE1 PHE A 27 55.241 -3.380 -2.876 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.178 -2.401 -0.930 1.00 0.00 C ATOM 428 CZ PHE A 27 54.598 -2.301 -2.262 1.00 0.00 C ATOM 0 H PHE A 27 54.156 -7.512 1.374 1.00 0.00 H new ATOM 0 HA PHE A 27 53.717 -6.704 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.986 -5.811 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.346 -6.185 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.959 -5.395 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.078 -3.661 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.566 -3.302 -3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.682 -1.567 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.425 -1.390 -2.815 1.00 0.00 H new ATOM 438 N VAL A 28 56.061 -8.933 -0.900 1.00 0.00 N ATOM 439 CA VAL A 28 56.975 -9.846 -1.665 1.00 0.00 C ATOM 440 C VAL A 28 56.224 -11.105 -2.133 1.00 0.00 C ATOM 441 O VAL A 28 56.791 -12.180 -2.212 1.00 0.00 O ATOM 442 CB VAL A 28 58.109 -10.213 -0.691 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.837 -8.945 -0.246 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.540 -10.930 0.539 1.00 0.00 C ATOM 0 H VAL A 28 56.005 -9.116 0.102 1.00 0.00 H new ATOM 0 HA VAL A 28 57.361 -9.365 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 28 58.807 -10.877 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.639 -9.209 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.258 -8.442 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.134 -8.278 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.352 -11.184 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 28 56.832 -10.275 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.031 -11.841 0.226 1.00 0.00 H new ATOM 454 N LEU A 29 54.958 -10.980 -2.459 1.00 0.00 N ATOM 455 CA LEU A 29 54.180 -12.169 -2.933 1.00 0.00 C ATOM 456 C LEU A 29 54.711 -12.641 -4.293 1.00 0.00 C ATOM 457 O LEU A 29 54.863 -13.824 -4.530 1.00 0.00 O ATOM 458 CB LEU A 29 52.730 -11.687 -3.058 1.00 0.00 C ATOM 459 CG LEU A 29 51.822 -12.587 -2.217 1.00 0.00 C ATOM 460 CD1 LEU A 29 50.603 -11.792 -1.742 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.357 -13.773 -3.067 1.00 0.00 C ATOM 0 H LEU A 29 54.431 -10.107 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 29 54.265 -13.012 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.648 -10.653 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.416 -11.709 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 29 52.375 -12.950 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.959 -12.436 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.933 -10.947 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.048 -11.426 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.710 -14.416 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.806 -13.406 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.224 -14.342 -3.403 1.00 0.00 H new ATOM 473 N GLY A 30 55.003 -11.722 -5.182 1.00 0.00 N ATOM 474 CA GLY A 30 55.536 -12.108 -6.524 1.00 0.00 C ATOM 475 C GLY A 30 57.035 -11.790 -6.590 1.00 0.00 C ATOM 476 O GLY A 30 57.530 -11.323 -7.596 1.00 0.00 O ATOM 0 H GLY A 30 54.894 -10.719 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.371 -13.171 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.004 -11.568 -7.307 1.00 0.00 H new ATOM 480 N ALA A 31 57.760 -12.041 -5.525 1.00 0.00 N ATOM 481 CA ALA A 31 59.228 -11.753 -5.525 1.00 0.00 C ATOM 482 C ALA A 31 60.020 -13.038 -5.251 1.00 0.00 C ATOM 483 O ALA A 31 60.235 -13.416 -4.114 1.00 0.00 O ATOM 484 CB ALA A 31 59.432 -10.738 -4.395 1.00 0.00 C ATOM 0 H ALA A 31 57.397 -12.433 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 31 59.575 -11.368 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.488 -10.474 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.846 -9.842 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.108 -11.175 -3.451 1.00 0.00 H new ATOM 490 N GLU A 32 60.452 -13.711 -6.288 1.00 0.00 N ATOM 491 CA GLU A 32 61.232 -14.978 -6.099 1.00 0.00 C ATOM 492 C GLU A 32 62.553 -14.698 -5.367 1.00 0.00 C ATOM 493 O GLU A 32 63.043 -15.524 -4.621 1.00 0.00 O ATOM 494 CB GLU A 32 61.499 -15.500 -7.513 1.00 0.00 C ATOM 495 CG GLU A 32 61.532 -17.029 -7.489 1.00 0.00 C ATOM 496 CD GLU A 32 61.957 -17.555 -8.861 1.00 0.00 C ATOM 497 OE1 GLU A 32 63.148 -17.705 -9.072 1.00 0.00 O ATOM 498 OE2 GLU A 32 61.082 -17.801 -9.676 1.00 0.00 O ATOM 0 H GLU A 32 60.299 -13.439 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 32 60.688 -15.703 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 32 60.722 -15.152 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.447 -15.110 -7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 62.227 -17.376 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 60.549 -17.420 -7.227 1.00 0.00 H new ATOM 505 N ASP A 33 63.124 -13.535 -5.568 1.00 0.00 N ATOM 506 CA ASP A 33 64.406 -13.189 -4.878 1.00 0.00 C ATOM 507 C ASP A 33 64.181 -13.049 -3.359 1.00 0.00 C ATOM 508 O ASP A 33 65.065 -13.322 -2.570 1.00 0.00 O ATOM 509 CB ASP A 33 64.854 -11.859 -5.508 1.00 0.00 C ATOM 510 CG ASP A 33 63.871 -10.737 -5.149 1.00 0.00 C ATOM 511 OD1 ASP A 33 62.750 -10.778 -5.629 1.00 0.00 O ATOM 512 OD2 ASP A 33 64.262 -9.856 -4.405 1.00 0.00 O ATOM 0 H ASP A 33 62.756 -12.808 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 33 65.165 -13.962 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 33 65.853 -11.602 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 33 64.915 -11.965 -6.591 1.00 0.00 H new ATOM 517 N GLY A 34 63.001 -12.641 -2.944 1.00 0.00 N ATOM 518 CA GLY A 34 62.716 -12.501 -1.480 1.00 0.00 C ATOM 519 C GLY A 34 62.519 -11.027 -1.103 1.00 0.00 C ATOM 520 O GLY A 34 61.717 -10.706 -0.247 1.00 0.00 O ATOM 0 H GLY A 34 62.224 -12.399 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.822 -13.070 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 34 63.539 -12.922 -0.903 1.00 0.00 H new ATOM 524 N CYS A 35 63.240 -10.131 -1.727 1.00 0.00 N ATOM 525 CA CYS A 35 63.087 -8.680 -1.393 1.00 0.00 C ATOM 526 C CYS A 35 61.964 -8.054 -2.234 1.00 0.00 C ATOM 527 O CYS A 35 61.215 -8.746 -2.896 1.00 0.00 O ATOM 528 CB CYS A 35 64.444 -8.047 -1.727 1.00 0.00 C ATOM 529 SG CYS A 35 65.760 -8.930 -0.848 1.00 0.00 S ATOM 0 H CYS A 35 63.927 -10.339 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 35 62.817 -8.522 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.621 -8.087 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.446 -6.995 -1.443 1.00 0.00 H new ATOM 0 HG CYS A 35 66.665 -8.083 -0.457 1.00 0.00 H new ATOM 535 N ILE A 36 61.834 -6.751 -2.204 1.00 0.00 N ATOM 536 CA ILE A 36 60.754 -6.085 -2.997 1.00 0.00 C ATOM 537 C ILE A 36 61.334 -5.464 -4.277 1.00 0.00 C ATOM 538 O ILE A 36 62.299 -4.722 -4.239 1.00 0.00 O ATOM 539 CB ILE A 36 60.187 -4.997 -2.070 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.221 -5.637 -1.063 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.438 -3.945 -2.898 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.792 -4.596 -0.020 1.00 0.00 C ATOM 0 H ILE A 36 62.428 -6.120 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 36 59.983 -6.788 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 36 61.007 -4.516 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.346 -6.027 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.702 -6.482 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.039 -3.177 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.124 -3.488 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.619 -4.421 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.107 -5.056 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.671 -4.227 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.293 -3.765 -0.519 1.00 0.00 H new ATOM 554 N SER A 37 60.738 -5.754 -5.407 1.00 0.00 N ATOM 555 CA SER A 37 61.227 -5.176 -6.696 1.00 0.00 C ATOM 556 C SER A 37 60.248 -4.102 -7.186 1.00 0.00 C ATOM 557 O SER A 37 59.117 -4.030 -6.739 1.00 0.00 O ATOM 558 CB SER A 37 61.266 -6.349 -7.679 1.00 0.00 C ATOM 559 OG SER A 37 62.177 -6.052 -8.731 1.00 0.00 O ATOM 0 H SER A 37 59.929 -6.370 -5.492 1.00 0.00 H new ATOM 0 HA SER A 37 62.205 -4.705 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.572 -7.260 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.271 -6.531 -8.085 1.00 0.00 H new ATOM 0 HG SER A 37 62.327 -6.856 -9.271 1.00 0.00 H new ATOM 565 N THR A 38 60.669 -3.273 -8.107 1.00 0.00 N ATOM 566 CA THR A 38 59.757 -2.204 -8.635 1.00 0.00 C ATOM 567 C THR A 38 58.547 -2.836 -9.336 1.00 0.00 C ATOM 568 O THR A 38 57.466 -2.279 -9.341 1.00 0.00 O ATOM 569 CB THR A 38 60.595 -1.397 -9.633 1.00 0.00 C ATOM 570 OG1 THR A 38 61.045 -2.247 -10.680 1.00 0.00 O ATOM 571 CG2 THR A 38 61.799 -0.786 -8.916 1.00 0.00 C ATOM 0 H THR A 38 61.602 -3.287 -8.518 1.00 0.00 H new ATOM 0 HA THR A 38 59.370 -1.572 -7.835 1.00 0.00 H new ATOM 0 HB THR A 38 59.982 -0.600 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 38 60.483 -2.116 -11.472 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.394 -0.213 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.452 -0.128 -8.119 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.411 -1.581 -8.490 1.00 0.00 H new ATOM 579 N LYS A 39 58.722 -4.002 -9.916 1.00 0.00 N ATOM 580 CA LYS A 39 57.584 -4.687 -10.607 1.00 0.00 C ATOM 581 C LYS A 39 56.440 -4.929 -9.612 1.00 0.00 C ATOM 582 O LYS A 39 55.283 -4.714 -9.922 1.00 0.00 O ATOM 583 CB LYS A 39 58.151 -6.025 -11.106 1.00 0.00 C ATOM 584 CG LYS A 39 59.252 -5.774 -12.142 1.00 0.00 C ATOM 585 CD LYS A 39 60.577 -6.349 -11.625 1.00 0.00 C ATOM 586 CE LYS A 39 61.749 -5.759 -12.416 1.00 0.00 C ATOM 587 NZ LYS A 39 62.228 -4.602 -11.602 1.00 0.00 N ATOM 0 H LYS A 39 59.607 -4.509 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 39 57.183 -4.091 -11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.552 -6.595 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.355 -6.625 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.987 -6.239 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.355 -4.705 -12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 39 60.692 -6.122 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 39 60.573 -7.435 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 62.540 -6.496 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 39 61.432 -5.438 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 63.082 -4.201 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 61.486 -3.875 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 62.450 -4.924 -10.638 1.00 0.00 H new ATOM 601 N GLU A 40 56.759 -5.364 -8.416 1.00 0.00 N ATOM 602 CA GLU A 40 55.698 -5.611 -7.388 1.00 0.00 C ATOM 603 C GLU A 40 55.178 -4.276 -6.842 1.00 0.00 C ATOM 604 O GLU A 40 54.001 -4.124 -6.578 1.00 0.00 O ATOM 605 CB GLU A 40 56.386 -6.410 -6.277 1.00 0.00 C ATOM 606 CG GLU A 40 56.700 -7.825 -6.775 1.00 0.00 C ATOM 607 CD GLU A 40 58.186 -7.929 -7.123 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.992 -7.931 -6.206 1.00 0.00 O ATOM 609 OE2 GLU A 40 58.493 -7.998 -8.301 1.00 0.00 O ATOM 0 H GLU A 40 57.711 -5.559 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 40 54.844 -6.148 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.305 -5.909 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 40 55.742 -6.458 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.444 -8.556 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.094 -8.056 -7.651 1.00 0.00 H new ATOM 616 N LEU A 41 56.048 -3.307 -6.679 1.00 0.00 N ATOM 617 CA LEU A 41 55.604 -1.977 -6.161 1.00 0.00 C ATOM 618 C LEU A 41 54.574 -1.364 -7.118 1.00 0.00 C ATOM 619 O LEU A 41 53.532 -0.897 -6.699 1.00 0.00 O ATOM 620 CB LEU A 41 56.879 -1.123 -6.099 1.00 0.00 C ATOM 621 CG LEU A 41 56.520 0.369 -6.100 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.525 0.670 -4.977 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.788 1.195 -5.888 1.00 0.00 C ATOM 0 H LEU A 41 57.045 -3.381 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 41 55.125 -2.046 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.445 -1.367 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.519 -1.351 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 41 56.067 0.627 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.276 1.731 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.618 0.084 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.970 0.410 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.536 2.255 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.239 0.930 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.495 0.990 -6.692 1.00 0.00 H new ATOM 635 N GLY A 42 54.857 -1.369 -8.400 1.00 0.00 N ATOM 636 CA GLY A 42 53.894 -0.794 -9.387 1.00 0.00 C ATOM 637 C GLY A 42 52.517 -1.454 -9.219 1.00 0.00 C ATOM 638 O GLY A 42 51.497 -0.795 -9.289 1.00 0.00 O ATOM 0 H GLY A 42 55.714 -1.747 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.811 0.283 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.261 -0.952 -10.401 1.00 0.00 H new ATOM 642 N LYS A 43 52.481 -2.747 -8.982 1.00 0.00 N ATOM 643 CA LYS A 43 51.167 -3.446 -8.790 1.00 0.00 C ATOM 644 C LYS A 43 50.403 -2.816 -7.619 1.00 0.00 C ATOM 645 O LYS A 43 49.203 -2.624 -7.682 1.00 0.00 O ATOM 646 CB LYS A 43 51.518 -4.904 -8.477 1.00 0.00 C ATOM 647 CG LYS A 43 51.736 -5.670 -9.783 1.00 0.00 C ATOM 648 CD LYS A 43 52.503 -6.961 -9.493 1.00 0.00 C ATOM 649 CE LYS A 43 53.024 -7.555 -10.805 1.00 0.00 C ATOM 650 NZ LYS A 43 54.443 -7.105 -10.898 1.00 0.00 N ATOM 0 H LYS A 43 53.303 -3.347 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 43 50.531 -3.367 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.417 -4.948 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 43 50.716 -5.366 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.777 -5.900 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 43 52.292 -5.054 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 53.335 -6.758 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.853 -7.677 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.955 -8.643 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.442 -7.202 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.816 -7.326 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.493 -6.079 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 55.011 -7.596 -10.178 1.00 0.00 H new ATOM 664 N VAL A 44 51.093 -2.477 -6.558 1.00 0.00 N ATOM 665 CA VAL A 44 50.411 -1.839 -5.388 1.00 0.00 C ATOM 666 C VAL A 44 50.088 -0.376 -5.722 1.00 0.00 C ATOM 667 O VAL A 44 49.041 0.133 -5.366 1.00 0.00 O ATOM 668 CB VAL A 44 51.413 -1.924 -4.230 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.768 -1.377 -2.956 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.819 -3.385 -4.004 1.00 0.00 C ATOM 0 H VAL A 44 52.098 -2.614 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 44 49.473 -2.331 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 44 52.297 -1.335 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.480 -1.437 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.480 -0.337 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.883 -1.966 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.531 -3.442 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.935 -3.975 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.280 -3.779 -4.910 1.00 0.00 H new ATOM 680 N MET A 45 50.980 0.293 -6.415 1.00 0.00 N ATOM 681 CA MET A 45 50.739 1.721 -6.797 1.00 0.00 C ATOM 682 C MET A 45 49.436 1.838 -7.597 1.00 0.00 C ATOM 683 O MET A 45 48.639 2.729 -7.370 1.00 0.00 O ATOM 684 CB MET A 45 51.939 2.109 -7.667 1.00 0.00 C ATOM 685 CG MET A 45 53.163 2.349 -6.780 1.00 0.00 C ATOM 686 SD MET A 45 53.443 4.130 -6.608 1.00 0.00 S ATOM 687 CE MET A 45 54.450 4.054 -5.107 1.00 0.00 C ATOM 0 H MET A 45 51.869 -0.092 -6.734 1.00 0.00 H new ATOM 0 HA MET A 45 50.641 2.371 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.149 1.318 -8.387 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.710 3.008 -8.239 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.009 1.898 -5.800 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.041 1.872 -7.216 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.431 5.022 -4.607 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.049 3.292 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.477 3.802 -5.370 1.00 0.00 H new ATOM 697 N ARG A 46 49.211 0.933 -8.523 1.00 0.00 N ATOM 698 CA ARG A 46 47.952 0.976 -9.330 1.00 0.00 C ATOM 699 C ARG A 46 46.740 0.776 -8.412 1.00 0.00 C ATOM 700 O ARG A 46 45.725 1.430 -8.561 1.00 0.00 O ATOM 701 CB ARG A 46 48.074 -0.179 -10.330 1.00 0.00 C ATOM 702 CG ARG A 46 47.263 0.147 -11.587 1.00 0.00 C ATOM 703 CD ARG A 46 47.980 -0.409 -12.820 1.00 0.00 C ATOM 704 NE ARG A 46 47.868 0.665 -13.851 1.00 0.00 N ATOM 705 CZ ARG A 46 48.675 0.679 -14.874 1.00 0.00 C ATOM 706 NH1 ARG A 46 48.463 -0.123 -15.878 1.00 0.00 N ATOM 707 NH2 ARG A 46 49.688 1.497 -14.891 1.00 0.00 N ATOM 0 H ARG A 46 49.846 0.168 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 46 47.815 1.931 -9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.120 -0.340 -10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.712 -1.104 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.265 -0.284 -11.510 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.138 1.226 -11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.023 -0.638 -12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 46 47.516 -1.334 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 46 47.157 1.390 -13.754 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.667 -0.760 -15.862 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.093 -0.114 -16.680 1.00 0.00 H new ATOM 0 HH21 ARG A 46 49.849 2.126 -14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 50.320 1.509 -15.691 1.00 0.00 H new ATOM 721 N MET A 47 46.851 -0.111 -7.451 1.00 0.00 N ATOM 722 CA MET A 47 45.718 -0.346 -6.502 1.00 0.00 C ATOM 723 C MET A 47 45.437 0.927 -5.685 1.00 0.00 C ATOM 724 O MET A 47 44.318 1.172 -5.277 1.00 0.00 O ATOM 725 CB MET A 47 46.191 -1.481 -5.585 1.00 0.00 C ATOM 726 CG MET A 47 44.981 -2.177 -4.957 1.00 0.00 C ATOM 727 SD MET A 47 45.431 -3.872 -4.504 1.00 0.00 S ATOM 728 CE MET A 47 45.765 -3.566 -2.751 1.00 0.00 C ATOM 0 H MET A 47 47.679 -0.683 -7.284 1.00 0.00 H new ATOM 0 HA MET A 47 44.794 -0.602 -7.020 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.781 -2.199 -6.154 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.840 -1.084 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.649 -1.629 -4.075 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.147 -2.186 -5.659 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.512 -4.275 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 47 46.139 -2.550 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.846 -3.689 -2.179 1.00 0.00 H new ATOM 738 N LEU A 48 46.445 1.738 -5.449 1.00 0.00 N ATOM 739 CA LEU A 48 46.244 2.998 -4.669 1.00 0.00 C ATOM 740 C LEU A 48 45.471 4.034 -5.502 1.00 0.00 C ATOM 741 O LEU A 48 44.620 4.736 -4.990 1.00 0.00 O ATOM 742 CB LEU A 48 47.657 3.501 -4.363 1.00 0.00 C ATOM 743 CG LEU A 48 47.578 4.653 -3.360 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.543 4.397 -2.202 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.957 5.963 -4.055 1.00 0.00 C ATOM 0 H LEU A 48 47.401 1.578 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 48 45.662 2.830 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 48.264 2.691 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.143 3.835 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 48 46.561 4.724 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 48.483 5.220 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 48.274 3.466 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 48 49.560 4.322 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.901 6.784 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.973 5.889 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 48 47.268 6.151 -4.878 1.00 0.00 H new ATOM 757 N GLY A 49 45.761 4.135 -6.780 1.00 0.00 N ATOM 758 CA GLY A 49 45.038 5.128 -7.639 1.00 0.00 C ATOM 759 C GLY A 49 45.983 5.719 -8.695 1.00 0.00 C ATOM 760 O GLY A 49 45.558 6.094 -9.770 1.00 0.00 O ATOM 0 H GLY A 49 46.464 3.575 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.193 4.645 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 44.633 5.927 -7.018 1.00 0.00 H new ATOM 764 N GLN A 50 47.257 5.812 -8.398 1.00 0.00 N ATOM 765 CA GLN A 50 48.227 6.389 -9.387 1.00 0.00 C ATOM 766 C GLN A 50 49.407 5.437 -9.626 1.00 0.00 C ATOM 767 O GLN A 50 50.039 4.970 -8.697 1.00 0.00 O ATOM 768 CB GLN A 50 48.718 7.708 -8.768 1.00 0.00 C ATOM 769 CG GLN A 50 49.185 7.477 -7.324 1.00 0.00 C ATOM 770 CD GLN A 50 50.667 7.833 -7.188 1.00 0.00 C ATOM 771 OE1 GLN A 50 51.007 8.971 -6.943 1.00 0.00 O ATOM 772 NE2 GLN A 50 51.569 6.902 -7.331 1.00 0.00 N ATOM 0 H GLN A 50 47.669 5.514 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 50 47.754 6.546 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 50 49.537 8.114 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 50 47.916 8.446 -8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 50 48.593 8.085 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 50 49.026 6.436 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 50 51.285 5.944 -7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 50 52.558 7.132 -7.237 1.00 0.00 H new ATOM 781 N ASN A 51 49.713 5.162 -10.871 1.00 0.00 N ATOM 782 CA ASN A 51 50.859 4.255 -11.190 1.00 0.00 C ATOM 783 C ASN A 51 51.131 4.249 -12.701 1.00 0.00 C ATOM 784 O ASN A 51 50.397 3.644 -13.458 1.00 0.00 O ATOM 785 CB ASN A 51 50.425 2.864 -10.720 1.00 0.00 C ATOM 786 CG ASN A 51 51.530 1.853 -11.033 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.646 1.993 -10.577 1.00 0.00 O ATOM 788 ND2 ASN A 51 51.269 0.835 -11.802 1.00 0.00 N ATOM 0 H ASN A 51 49.216 5.529 -11.683 1.00 0.00 H new ATOM 0 HA ASN A 51 51.778 4.578 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 51 50.222 2.877 -9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.499 2.573 -11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.001 0.159 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 51 50.332 0.714 -12.187 1.00 0.00 H new ATOM 795 N PRO A 52 52.186 4.924 -13.090 1.00 0.00 N ATOM 796 CA PRO A 52 52.560 4.986 -14.524 1.00 0.00 C ATOM 797 C PRO A 52 53.234 3.672 -14.965 1.00 0.00 C ATOM 798 O PRO A 52 52.650 2.884 -15.685 1.00 0.00 O ATOM 799 CB PRO A 52 53.521 6.174 -14.588 1.00 0.00 C ATOM 800 CG PRO A 52 54.089 6.311 -13.208 1.00 0.00 C ATOM 801 CD PRO A 52 53.113 5.687 -12.242 1.00 0.00 C ATOM 0 HA PRO A 52 51.708 5.109 -15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 52 54.309 6.001 -15.320 1.00 0.00 H new ATOM 0 HB3 PRO A 52 53.000 7.083 -14.889 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.059 5.817 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.249 7.361 -12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.622 5.039 -11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.587 6.447 -11.664 1.00 0.00 H new ATOM 809 N THR A 53 54.448 3.426 -14.533 1.00 0.00 N ATOM 810 CA THR A 53 55.154 2.160 -14.921 1.00 0.00 C ATOM 811 C THR A 53 55.929 1.605 -13.715 1.00 0.00 C ATOM 812 O THR A 53 56.354 2.357 -12.856 1.00 0.00 O ATOM 813 CB THR A 53 56.124 2.537 -16.060 1.00 0.00 C ATOM 814 OG1 THR A 53 56.228 3.951 -16.177 1.00 0.00 O ATOM 815 CG2 THR A 53 55.615 1.958 -17.382 1.00 0.00 C ATOM 0 H THR A 53 54.983 4.048 -13.927 1.00 0.00 H new ATOM 0 HA THR A 53 54.453 1.390 -15.244 1.00 0.00 H new ATOM 0 HB THR A 53 57.107 2.126 -15.830 1.00 0.00 H new ATOM 0 HG1 THR A 53 56.848 4.175 -16.902 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.302 2.226 -18.185 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.553 0.873 -17.304 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.627 2.363 -17.600 1.00 0.00 H new ATOM 823 N PRO A 54 56.082 0.299 -13.686 1.00 0.00 N ATOM 824 CA PRO A 54 56.805 -0.366 -12.564 1.00 0.00 C ATOM 825 C PRO A 54 58.310 -0.065 -12.617 1.00 0.00 C ATOM 826 O PRO A 54 58.907 0.300 -11.623 1.00 0.00 O ATOM 827 CB PRO A 54 56.534 -1.852 -12.796 1.00 0.00 C ATOM 828 CG PRO A 54 56.249 -1.966 -14.260 1.00 0.00 C ATOM 829 CD PRO A 54 55.606 -0.672 -14.682 1.00 0.00 C ATOM 0 HA PRO A 54 56.473 -0.021 -11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 57.393 -2.460 -12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 54 55.689 -2.197 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.168 -2.141 -14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 54 55.588 -2.809 -14.460 1.00 0.00 H new ATOM 0 HD2 PRO A 54 55.904 -0.388 -15.691 1.00 0.00 H new ATOM 0 HD3 PRO A 54 54.519 -0.747 -14.680 1.00 0.00 H new ATOM 837 N GLU A 55 58.928 -0.214 -13.764 1.00 0.00 N ATOM 838 CA GLU A 55 60.397 0.066 -13.871 1.00 0.00 C ATOM 839 C GLU A 55 60.686 1.562 -13.661 1.00 0.00 C ATOM 840 O GLU A 55 61.792 1.940 -13.334 1.00 0.00 O ATOM 841 CB GLU A 55 60.802 -0.377 -15.284 1.00 0.00 C ATOM 842 CG GLU A 55 60.519 -1.879 -15.470 1.00 0.00 C ATOM 843 CD GLU A 55 61.086 -2.678 -14.289 1.00 0.00 C ATOM 844 OE1 GLU A 55 62.248 -3.044 -14.346 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.344 -2.913 -13.349 1.00 0.00 O ATOM 0 H GLU A 55 58.481 -0.517 -14.629 1.00 0.00 H new ATOM 0 HA GLU A 55 60.963 -0.467 -13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.250 0.199 -16.026 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.861 -0.176 -15.447 1.00 0.00 H new ATOM 0 HG2 GLU A 55 59.445 -2.047 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 55 60.965 -2.228 -16.401 1.00 0.00 H new ATOM 852 N GLU A 56 59.699 2.412 -13.826 1.00 0.00 N ATOM 853 CA GLU A 56 59.923 3.878 -13.611 1.00 0.00 C ATOM 854 C GLU A 56 60.350 4.146 -12.156 1.00 0.00 C ATOM 855 O GLU A 56 61.005 5.128 -11.863 1.00 0.00 O ATOM 856 CB GLU A 56 58.568 4.533 -13.898 1.00 0.00 C ATOM 857 CG GLU A 56 58.773 6.017 -14.215 1.00 0.00 C ATOM 858 CD GLU A 56 57.479 6.786 -13.943 1.00 0.00 C ATOM 859 OE1 GLU A 56 57.204 7.050 -12.784 1.00 0.00 O ATOM 860 OE2 GLU A 56 56.787 7.097 -14.897 1.00 0.00 O ATOM 0 H GLU A 56 58.751 2.155 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 56 60.712 4.271 -14.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.082 4.035 -14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.909 4.422 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 59.582 6.420 -13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 56 59.067 6.139 -15.257 1.00 0.00 H new ATOM 867 N LEU A 57 59.979 3.276 -11.247 1.00 0.00 N ATOM 868 CA LEU A 57 60.350 3.463 -9.808 1.00 0.00 C ATOM 869 C LEU A 57 61.747 2.885 -9.500 1.00 0.00 C ATOM 870 O LEU A 57 62.274 3.088 -8.423 1.00 0.00 O ATOM 871 CB LEU A 57 59.276 2.699 -9.025 1.00 0.00 C ATOM 872 CG LEU A 57 57.909 3.356 -9.244 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.827 2.277 -9.328 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.602 4.292 -8.074 1.00 0.00 C ATOM 0 H LEU A 57 59.431 2.438 -11.442 1.00 0.00 H new ATOM 0 HA LEU A 57 60.395 4.519 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.246 1.659 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.521 2.694 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 57 57.926 3.925 -10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.856 2.747 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.044 1.608 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.809 1.706 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.630 4.760 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.587 3.721 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 57 58.370 5.063 -8.013 1.00 0.00 H new ATOM 886 N GLN A 58 62.345 2.162 -10.426 1.00 0.00 N ATOM 887 CA GLN A 58 63.702 1.561 -10.176 1.00 0.00 C ATOM 888 C GLN A 58 64.679 2.601 -9.610 1.00 0.00 C ATOM 889 O GLN A 58 65.278 2.389 -8.576 1.00 0.00 O ATOM 890 CB GLN A 58 64.186 1.063 -11.543 1.00 0.00 C ATOM 891 CG GLN A 58 64.166 -0.470 -11.573 1.00 0.00 C ATOM 892 CD GLN A 58 65.159 -1.028 -10.546 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.812 -1.875 -9.747 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.387 -0.590 -10.532 1.00 0.00 N ATOM 0 H GLN A 58 61.951 1.962 -11.345 1.00 0.00 H new ATOM 0 HA GLN A 58 63.648 0.758 -9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.547 1.460 -12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 58 65.195 1.427 -11.737 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.162 -0.833 -11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.424 -0.826 -12.571 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.683 0.121 -11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.052 -0.958 -9.852 1.00 0.00 H new ATOM 903 N GLU A 59 64.841 3.718 -10.273 1.00 0.00 N ATOM 904 CA GLU A 59 65.783 4.770 -9.761 1.00 0.00 C ATOM 905 C GLU A 59 65.488 5.100 -8.284 1.00 0.00 C ATOM 906 O GLU A 59 66.390 5.382 -7.517 1.00 0.00 O ATOM 907 CB GLU A 59 65.566 6.001 -10.655 1.00 0.00 C ATOM 908 CG GLU A 59 64.072 6.342 -10.746 1.00 0.00 C ATOM 909 CD GLU A 59 63.820 7.734 -10.161 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.063 8.703 -10.861 1.00 0.00 O ATOM 911 OE2 GLU A 59 63.385 7.805 -9.024 1.00 0.00 O ATOM 0 H GLU A 59 64.365 3.950 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 59 66.818 4.431 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.115 6.852 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 59 65.963 5.808 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 59 63.745 6.310 -11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 59 63.487 5.599 -10.205 1.00 0.00 H new ATOM 918 N MET A 60 64.240 5.050 -7.880 1.00 0.00 N ATOM 919 CA MET A 60 63.893 5.347 -6.455 1.00 0.00 C ATOM 920 C MET A 60 64.277 4.167 -5.546 1.00 0.00 C ATOM 921 O MET A 60 64.694 4.363 -4.420 1.00 0.00 O ATOM 922 CB MET A 60 62.378 5.572 -6.449 1.00 0.00 C ATOM 923 CG MET A 60 61.966 6.261 -5.145 1.00 0.00 C ATOM 924 SD MET A 60 61.128 7.819 -5.525 1.00 0.00 S ATOM 925 CE MET A 60 59.591 7.106 -6.163 1.00 0.00 C ATOM 0 H MET A 60 63.447 4.816 -8.477 1.00 0.00 H new ATOM 0 HA MET A 60 64.432 6.216 -6.076 1.00 0.00 H new ATOM 0 HB2 MET A 60 62.088 6.184 -7.303 1.00 0.00 H new ATOM 0 HB3 MET A 60 61.858 4.619 -6.549 1.00 0.00 H new ATOM 0 HG2 MET A 60 61.306 5.611 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 60 62.844 6.449 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 60 58.814 7.870 -6.178 1.00 0.00 H new ATOM 0 HE2 MET A 60 59.755 6.735 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 60 59.278 6.283 -5.521 1.00 0.00 H new ATOM 935 N ILE A 61 64.149 2.945 -6.019 1.00 0.00 N ATOM 936 CA ILE A 61 64.523 1.772 -5.161 1.00 0.00 C ATOM 937 C ILE A 61 66.035 1.783 -4.872 1.00 0.00 C ATOM 938 O ILE A 61 66.469 1.366 -3.816 1.00 0.00 O ATOM 939 CB ILE A 61 64.100 0.510 -5.942 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.816 -0.613 -4.942 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.207 0.057 -6.903 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.108 -1.773 -5.643 1.00 0.00 C ATOM 0 H ILE A 61 63.806 2.712 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 61 64.024 1.804 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 61 63.210 0.742 -6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.749 -0.961 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.197 -0.237 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.881 -0.834 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.418 0.854 -7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.110 -0.171 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.910 -2.567 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.166 -1.423 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.742 -2.157 -6.442 1.00 0.00 H new ATOM 954 N ASP A 62 66.834 2.277 -5.790 1.00 0.00 N ATOM 955 CA ASP A 62 68.311 2.333 -5.556 1.00 0.00 C ATOM 956 C ASP A 62 68.649 3.499 -4.612 1.00 0.00 C ATOM 957 O ASP A 62 69.615 3.450 -3.876 1.00 0.00 O ATOM 958 CB ASP A 62 68.929 2.556 -6.942 1.00 0.00 C ATOM 959 CG ASP A 62 68.799 1.280 -7.778 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.513 0.332 -7.494 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.988 1.273 -8.689 1.00 0.00 O ATOM 0 H ASP A 62 66.525 2.643 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 62 68.693 1.425 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.429 3.384 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.979 2.831 -6.842 1.00 0.00 H new ATOM 966 N GLU A 63 67.848 4.541 -4.626 1.00 0.00 N ATOM 967 CA GLU A 63 68.098 5.715 -3.726 1.00 0.00 C ATOM 968 C GLU A 63 68.089 5.274 -2.256 1.00 0.00 C ATOM 969 O GLU A 63 68.980 5.594 -1.493 1.00 0.00 O ATOM 970 CB GLU A 63 66.927 6.666 -3.991 1.00 0.00 C ATOM 971 CG GLU A 63 67.320 7.692 -5.058 1.00 0.00 C ATOM 972 CD GLU A 63 66.060 8.360 -5.615 1.00 0.00 C ATOM 973 OE1 GLU A 63 65.396 9.054 -4.861 1.00 0.00 O ATOM 974 OE2 GLU A 63 65.780 8.168 -6.786 1.00 0.00 O ATOM 0 H GLU A 63 67.028 4.629 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 63 69.066 6.179 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.056 6.101 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.646 7.176 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.983 8.443 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 67.871 7.203 -5.862 1.00 0.00 H new ATOM 981 N VAL A 64 67.076 4.546 -1.862 1.00 0.00 N ATOM 982 CA VAL A 64 66.979 4.076 -0.444 1.00 0.00 C ATOM 983 C VAL A 64 67.786 2.778 -0.232 1.00 0.00 C ATOM 984 O VAL A 64 67.997 2.354 0.889 1.00 0.00 O ATOM 985 CB VAL A 64 65.477 3.848 -0.214 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.966 2.724 -1.122 1.00 0.00 C ATOM 987 CG2 VAL A 64 65.224 3.477 1.252 1.00 0.00 C ATOM 0 H VAL A 64 66.306 4.254 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 64 67.395 4.797 0.260 1.00 0.00 H new ATOM 0 HB VAL A 64 64.944 4.768 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.901 2.573 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.129 2.996 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.504 1.803 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.157 3.317 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 64 65.767 2.564 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.567 4.286 1.897 1.00 0.00 H new ATOM 997 N ASP A 65 68.246 2.149 -1.290 1.00 0.00 N ATOM 998 CA ASP A 65 69.042 0.892 -1.127 1.00 0.00 C ATOM 999 C ASP A 65 70.406 1.211 -0.498 1.00 0.00 C ATOM 1000 O ASP A 65 71.081 2.142 -0.898 1.00 0.00 O ATOM 1001 CB ASP A 65 69.212 0.335 -2.545 1.00 0.00 C ATOM 1002 CG ASP A 65 69.926 -1.016 -2.480 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.258 -2.006 -2.232 1.00 0.00 O ATOM 1004 OD2 ASP A 65 71.128 -1.038 -2.681 1.00 0.00 O ATOM 0 H ASP A 65 68.105 2.451 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 65 68.551 0.173 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.238 0.221 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.786 1.033 -3.155 1.00 0.00 H new ATOM 1009 N GLU A 66 70.811 0.451 0.488 1.00 0.00 N ATOM 1010 CA GLU A 66 72.125 0.716 1.151 1.00 0.00 C ATOM 1011 C GLU A 66 72.983 -0.560 1.217 1.00 0.00 C ATOM 1012 O GLU A 66 73.830 -0.695 2.081 1.00 0.00 O ATOM 1013 CB GLU A 66 71.754 1.189 2.564 1.00 0.00 C ATOM 1014 CG GLU A 66 71.410 2.683 2.538 1.00 0.00 C ATOM 1015 CD GLU A 66 70.794 3.096 3.879 1.00 0.00 C ATOM 1016 OE1 GLU A 66 69.621 2.826 4.081 1.00 0.00 O ATOM 1017 OE2 GLU A 66 71.505 3.679 4.680 1.00 0.00 O ATOM 0 H GLU A 66 70.289 -0.341 0.863 1.00 0.00 H new ATOM 0 HA GLU A 66 72.717 1.450 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 66 70.904 0.617 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.584 1.009 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 66 72.308 3.269 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.712 2.891 1.727 1.00 0.00 H new ATOM 1024 N ASP A 67 72.781 -1.499 0.319 1.00 0.00 N ATOM 1025 CA ASP A 67 73.600 -2.753 0.361 1.00 0.00 C ATOM 1026 C ASP A 67 74.316 -3.026 -0.979 1.00 0.00 C ATOM 1027 O ASP A 67 75.297 -3.745 -1.016 1.00 0.00 O ATOM 1028 CB ASP A 67 72.606 -3.872 0.725 1.00 0.00 C ATOM 1029 CG ASP A 67 71.873 -4.386 -0.515 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.410 -3.575 -1.292 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.769 -5.589 -0.658 1.00 0.00 O ATOM 0 H ASP A 67 72.093 -1.452 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 67 74.406 -2.680 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.139 -4.694 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.882 -3.498 1.449 1.00 0.00 H new ATOM 1036 N GLY A 68 73.851 -2.465 -2.072 1.00 0.00 N ATOM 1037 CA GLY A 68 74.531 -2.707 -3.384 1.00 0.00 C ATOM 1038 C GLY A 68 73.605 -3.473 -4.334 1.00 0.00 C ATOM 1039 O GLY A 68 73.596 -3.229 -5.524 1.00 0.00 O ATOM 0 H GLY A 68 73.035 -1.854 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.817 -1.756 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.449 -3.273 -3.226 1.00 0.00 H new ATOM 1043 N SER A 69 72.830 -4.399 -3.821 1.00 0.00 N ATOM 1044 CA SER A 69 71.902 -5.186 -4.702 1.00 0.00 C ATOM 1045 C SER A 69 70.920 -4.258 -5.436 1.00 0.00 C ATOM 1046 O SER A 69 70.509 -4.540 -6.545 1.00 0.00 O ATOM 1047 CB SER A 69 71.141 -6.127 -3.759 1.00 0.00 C ATOM 1048 OG SER A 69 70.135 -5.397 -3.059 1.00 0.00 O ATOM 0 H SER A 69 72.798 -4.645 -2.832 1.00 0.00 H new ATOM 0 HA SER A 69 72.450 -5.731 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.686 -6.938 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.832 -6.584 -3.050 1.00 0.00 H new ATOM 0 HG SER A 69 70.550 -4.659 -2.565 1.00 0.00 H new ATOM 1054 N GLY A 70 70.538 -3.158 -4.827 1.00 0.00 N ATOM 1055 CA GLY A 70 69.579 -2.222 -5.498 1.00 0.00 C ATOM 1056 C GLY A 70 68.138 -2.551 -5.081 1.00 0.00 C ATOM 1057 O GLY A 70 67.335 -1.665 -4.860 1.00 0.00 O ATOM 0 H GLY A 70 70.848 -2.870 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.817 -1.192 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.679 -2.301 -6.580 1.00 0.00 H new ATOM 1061 N THR A 71 67.802 -3.817 -4.978 1.00 0.00 N ATOM 1062 CA THR A 71 66.408 -4.205 -4.578 1.00 0.00 C ATOM 1063 C THR A 71 66.115 -3.734 -3.150 1.00 0.00 C ATOM 1064 O THR A 71 66.983 -3.742 -2.299 1.00 0.00 O ATOM 1065 CB THR A 71 66.375 -5.736 -4.642 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.938 -6.177 -5.870 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.929 -6.222 -4.547 1.00 0.00 C ATOM 0 H THR A 71 68.433 -4.599 -5.154 1.00 0.00 H new ATOM 0 HA THR A 71 65.660 -3.753 -5.230 1.00 0.00 H new ATOM 0 HB THR A 71 66.953 -6.141 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.917 -7.156 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.907 -7.311 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.495 -5.890 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.352 -5.813 -5.376 1.00 0.00 H new ATOM 1075 N VAL A 72 64.898 -3.333 -2.879 1.00 0.00 N ATOM 1076 CA VAL A 72 64.555 -2.865 -1.499 1.00 0.00 C ATOM 1077 C VAL A 72 64.371 -4.070 -0.563 1.00 0.00 C ATOM 1078 O VAL A 72 63.514 -4.910 -0.773 1.00 0.00 O ATOM 1079 CB VAL A 72 63.252 -2.059 -1.645 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.407 -2.168 -0.370 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.597 -0.587 -1.879 1.00 0.00 C ATOM 0 H VAL A 72 64.130 -3.309 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 72 65.344 -2.252 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 72 62.685 -2.459 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.490 -1.592 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.158 -3.213 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.972 -1.776 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 72 62.678 -0.010 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.169 -0.208 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.190 -0.492 -2.789 1.00 0.00 H new ATOM 1091 N ASP A 73 65.173 -4.151 0.468 1.00 0.00 N ATOM 1092 CA ASP A 73 65.061 -5.289 1.432 1.00 0.00 C ATOM 1093 C ASP A 73 64.139 -4.900 2.593 1.00 0.00 C ATOM 1094 O ASP A 73 63.529 -3.846 2.586 1.00 0.00 O ATOM 1095 CB ASP A 73 66.492 -5.530 1.946 1.00 0.00 C ATOM 1096 CG ASP A 73 67.422 -5.994 0.813 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.971 -6.108 -0.316 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.587 -6.211 1.095 1.00 0.00 O ATOM 0 H ASP A 73 65.905 -3.474 0.685 1.00 0.00 H new ATOM 0 HA ASP A 73 64.642 -6.182 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.882 -4.612 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.475 -6.281 2.736 1.00 0.00 H new ATOM 1103 N PHE A 74 64.038 -5.736 3.597 1.00 0.00 N ATOM 1104 CA PHE A 74 63.161 -5.408 4.763 1.00 0.00 C ATOM 1105 C PHE A 74 63.705 -4.175 5.501 1.00 0.00 C ATOM 1106 O PHE A 74 62.975 -3.244 5.785 1.00 0.00 O ATOM 1107 CB PHE A 74 63.208 -6.649 5.662 1.00 0.00 C ATOM 1108 CG PHE A 74 62.259 -6.472 6.823 1.00 0.00 C ATOM 1109 CD1 PHE A 74 60.928 -6.103 6.591 1.00 0.00 C ATOM 1110 CD2 PHE A 74 62.711 -6.674 8.131 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.051 -5.936 7.668 1.00 0.00 C ATOM 1112 CE2 PHE A 74 61.834 -6.508 9.208 1.00 0.00 C ATOM 1113 CZ PHE A 74 60.503 -6.139 8.976 1.00 0.00 C ATOM 0 H PHE A 74 64.524 -6.630 3.659 1.00 0.00 H new ATOM 0 HA PHE A 74 62.141 -5.170 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.936 -7.536 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.222 -6.806 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.579 -5.947 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 74 63.738 -6.958 8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.025 -5.650 7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.183 -6.664 10.218 1.00 0.00 H new ATOM 0 HZ PHE A 74 59.825 -6.011 9.807 1.00 0.00 H new ATOM 1123 N ASP A 75 64.984 -4.160 5.795 1.00 0.00 N ATOM 1124 CA ASP A 75 65.592 -2.987 6.500 1.00 0.00 C ATOM 1125 C ASP A 75 65.418 -1.717 5.652 1.00 0.00 C ATOM 1126 O ASP A 75 64.953 -0.700 6.132 1.00 0.00 O ATOM 1127 CB ASP A 75 67.075 -3.347 6.653 1.00 0.00 C ATOM 1128 CG ASP A 75 67.809 -2.212 7.369 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.689 -2.126 8.580 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.481 -1.450 6.693 1.00 0.00 O ATOM 0 H ASP A 75 65.635 -4.914 5.576 1.00 0.00 H new ATOM 0 HA ASP A 75 65.124 -2.787 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.178 -4.273 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.520 -3.520 5.673 1.00 0.00 H new ATOM 1135 N GLU A 76 65.772 -1.782 4.391 1.00 0.00 N ATOM 1136 CA GLU A 76 65.615 -0.592 3.494 1.00 0.00 C ATOM 1137 C GLU A 76 64.135 -0.192 3.415 1.00 0.00 C ATOM 1138 O GLU A 76 63.797 0.977 3.463 1.00 0.00 O ATOM 1139 CB GLU A 76 66.123 -1.055 2.126 1.00 0.00 C ATOM 1140 CG GLU A 76 67.661 -1.052 2.112 1.00 0.00 C ATOM 1141 CD GLU A 76 68.189 -2.031 1.052 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.431 -2.406 0.174 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.352 -2.389 1.134 1.00 0.00 O ATOM 0 H GLU A 76 66.164 -2.610 3.943 1.00 0.00 H new ATOM 0 HA GLU A 76 66.164 0.278 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.750 -2.056 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.742 -0.397 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.027 -0.047 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.041 -1.331 3.095 1.00 0.00 H new ATOM 1150 N PHE A 77 63.252 -1.160 3.315 1.00 0.00 N ATOM 1151 CA PHE A 77 61.787 -0.853 3.258 1.00 0.00 C ATOM 1152 C PHE A 77 61.373 -0.090 4.524 1.00 0.00 C ATOM 1153 O PHE A 77 60.674 0.901 4.455 1.00 0.00 O ATOM 1154 CB PHE A 77 61.096 -2.224 3.194 1.00 0.00 C ATOM 1155 CG PHE A 77 59.619 -2.078 3.496 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.742 -1.625 2.505 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.131 -2.399 4.770 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.377 -1.492 2.786 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.766 -2.266 5.050 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.889 -1.812 4.058 1.00 0.00 C ATOM 0 H PHE A 77 63.485 -2.152 3.270 1.00 0.00 H new ATOM 0 HA PHE A 77 61.518 -0.230 2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.231 -2.662 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.556 -2.905 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.118 -1.378 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.808 -2.749 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.700 -1.142 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.389 -2.514 6.031 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.836 -1.709 4.274 1.00 0.00 H new ATOM 1170 N LEU A 78 61.813 -0.545 5.675 1.00 0.00 N ATOM 1171 CA LEU A 78 61.462 0.153 6.953 1.00 0.00 C ATOM 1172 C LEU A 78 61.911 1.620 6.893 1.00 0.00 C ATOM 1173 O LEU A 78 61.162 2.518 7.232 1.00 0.00 O ATOM 1174 CB LEU A 78 62.228 -0.598 8.049 1.00 0.00 C ATOM 1175 CG LEU A 78 61.568 -1.957 8.306 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.612 -2.944 8.833 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.459 -1.797 9.347 1.00 0.00 C ATOM 0 H LEU A 78 62.401 -1.371 5.783 1.00 0.00 H new ATOM 0 HA LEU A 78 60.388 0.153 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.266 -0.739 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.239 -0.009 8.966 1.00 0.00 H new ATOM 0 HG LEU A 78 61.146 -2.334 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.140 -3.910 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.406 -3.061 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.034 -2.565 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.989 -2.764 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.884 -1.419 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.712 -1.095 8.978 1.00 0.00 H new ATOM 1189 N VAL A 79 63.124 1.868 6.453 1.00 0.00 N ATOM 1190 CA VAL A 79 63.625 3.280 6.356 1.00 0.00 C ATOM 1191 C VAL A 79 62.753 4.076 5.374 1.00 0.00 C ATOM 1192 O VAL A 79 62.501 5.250 5.565 1.00 0.00 O ATOM 1193 CB VAL A 79 65.067 3.167 5.837 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.662 4.565 5.643 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.924 2.401 6.849 1.00 0.00 C ATOM 0 H VAL A 79 63.789 1.154 6.157 1.00 0.00 H new ATOM 0 HA VAL A 79 63.586 3.800 7.313 1.00 0.00 H new ATOM 0 HB VAL A 79 65.056 2.636 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.684 4.477 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.062 5.119 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.663 5.095 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.945 2.324 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 65.924 2.932 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.513 1.401 6.991 1.00 0.00 H new ATOM 1205 N MET A 80 62.284 3.436 4.332 1.00 0.00 N ATOM 1206 CA MET A 80 61.420 4.138 3.336 1.00 0.00 C ATOM 1207 C MET A 80 60.039 4.445 3.941 1.00 0.00 C ATOM 1208 O MET A 80 59.462 5.486 3.684 1.00 0.00 O ATOM 1209 CB MET A 80 61.298 3.158 2.164 1.00 0.00 C ATOM 1210 CG MET A 80 60.659 3.865 0.968 1.00 0.00 C ATOM 1211 SD MET A 80 61.367 3.217 -0.565 1.00 0.00 S ATOM 1212 CE MET A 80 60.605 1.577 -0.492 1.00 0.00 C ATOM 0 H MET A 80 62.464 2.453 4.128 1.00 0.00 H new ATOM 0 HA MET A 80 61.839 5.095 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.282 2.778 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.694 2.299 2.457 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.580 3.712 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.829 4.940 1.034 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.687 1.094 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 80 61.115 0.972 0.257 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.553 1.676 -0.223 1.00 0.00 H new ATOM 1222 N MET A 81 59.506 3.550 4.741 1.00 0.00 N ATOM 1223 CA MET A 81 58.164 3.791 5.363 1.00 0.00 C ATOM 1224 C MET A 81 58.215 5.020 6.283 1.00 0.00 C ATOM 1225 O MET A 81 57.426 5.935 6.144 1.00 0.00 O ATOM 1226 CB MET A 81 57.855 2.521 6.165 1.00 0.00 C ATOM 1227 CG MET A 81 57.600 1.343 5.212 1.00 0.00 C ATOM 1228 SD MET A 81 56.592 1.882 3.804 1.00 0.00 S ATOM 1229 CE MET A 81 55.117 2.353 4.739 1.00 0.00 C ATOM 0 H MET A 81 59.943 2.663 4.990 1.00 0.00 H new ATOM 0 HA MET A 81 57.396 3.991 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.688 2.289 6.828 1.00 0.00 H new ATOM 0 HB3 MET A 81 56.981 2.684 6.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.549 0.942 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.093 0.538 5.745 1.00 0.00 H new ATOM 0 HE1 MET A 81 54.250 2.344 4.079 1.00 0.00 H new ATOM 0 HE2 MET A 81 54.961 1.645 5.553 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.250 3.354 5.149 1.00 0.00 H new ATOM 1239 N VAL A 82 59.145 5.055 7.212 1.00 0.00 N ATOM 1240 CA VAL A 82 59.250 6.239 8.129 1.00 0.00 C ATOM 1241 C VAL A 82 59.589 7.506 7.322 1.00 0.00 C ATOM 1242 O VAL A 82 59.204 8.602 7.688 1.00 0.00 O ATOM 1243 CB VAL A 82 60.367 5.897 9.135 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.719 5.781 8.423 1.00 0.00 C ATOM 1245 CG2 VAL A 82 60.453 6.997 10.197 1.00 0.00 C ATOM 0 H VAL A 82 59.832 4.319 7.374 1.00 0.00 H new ATOM 0 HA VAL A 82 58.312 6.440 8.646 1.00 0.00 H new ATOM 0 HB VAL A 82 60.131 4.942 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.494 5.539 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 82 61.668 4.993 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.958 6.728 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 82 61.243 6.755 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.676 7.950 9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 82 59.501 7.070 10.723 1.00 0.00 H new ATOM 1255 N ARG A 83 60.294 7.362 6.221 1.00 0.00 N ATOM 1256 CA ARG A 83 60.644 8.553 5.383 1.00 0.00 C ATOM 1257 C ARG A 83 59.369 9.221 4.848 1.00 0.00 C ATOM 1258 O ARG A 83 59.174 10.410 5.001 1.00 0.00 O ATOM 1259 CB ARG A 83 61.483 8.000 4.226 1.00 0.00 C ATOM 1260 CG ARG A 83 62.954 8.369 4.433 1.00 0.00 C ATOM 1261 CD ARG A 83 63.529 8.948 3.136 1.00 0.00 C ATOM 1262 NE ARG A 83 63.471 10.430 3.313 1.00 0.00 N ATOM 1263 CZ ARG A 83 62.397 11.093 2.978 1.00 0.00 C ATOM 1264 NH1 ARG A 83 62.181 11.400 1.733 1.00 0.00 N ATOM 1265 NH2 ARG A 83 61.544 11.453 3.892 1.00 0.00 N ATOM 0 H ARG A 83 60.641 6.470 5.868 1.00 0.00 H new ATOM 0 HA ARG A 83 61.185 9.308 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.374 6.917 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.126 8.405 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.046 9.096 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.521 7.488 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.552 8.610 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 62.947 8.631 2.271 1.00 0.00 H new ATOM 0 HE ARG A 83 64.275 10.927 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.851 11.123 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 83 61.341 11.918 1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 83 61.714 11.217 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 83 60.705 11.971 3.631 1.00 0.00 H new ATOM 1279 N CYS A 84 58.502 8.459 4.225 1.00 0.00 N ATOM 1280 CA CYS A 84 57.235 9.042 3.678 1.00 0.00 C ATOM 1281 C CYS A 84 56.211 9.279 4.801 1.00 0.00 C ATOM 1282 O CYS A 84 55.317 10.095 4.668 1.00 0.00 O ATOM 1283 CB CYS A 84 56.716 8.000 2.685 1.00 0.00 C ATOM 1284 SG CYS A 84 56.288 8.814 1.126 1.00 0.00 S ATOM 0 H CYS A 84 58.617 7.457 4.071 1.00 0.00 H new ATOM 0 HA CYS A 84 57.403 10.010 3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.475 7.236 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.842 7.494 3.096 1.00 0.00 H new ATOM 0 HG CYS A 84 56.052 7.915 0.217 1.00 0.00 H new ATOM 1290 N MET A 85 56.336 8.577 5.902 1.00 0.00 N ATOM 1291 CA MET A 85 55.378 8.764 7.036 1.00 0.00 C ATOM 1292 C MET A 85 55.539 10.167 7.638 1.00 0.00 C ATOM 1293 O MET A 85 54.569 10.824 7.966 1.00 0.00 O ATOM 1294 CB MET A 85 55.766 7.690 8.059 1.00 0.00 C ATOM 1295 CG MET A 85 54.916 7.838 9.324 1.00 0.00 C ATOM 1296 SD MET A 85 55.168 6.394 10.387 1.00 0.00 S ATOM 1297 CE MET A 85 56.354 7.155 11.521 1.00 0.00 C ATOM 0 H MET A 85 57.063 7.880 6.064 1.00 0.00 H new ATOM 0 HA MET A 85 54.338 8.672 6.722 1.00 0.00 H new ATOM 0 HB2 MET A 85 55.623 6.699 7.629 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.823 7.780 8.309 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.191 8.748 9.856 1.00 0.00 H new ATOM 0 HG3 MET A 85 53.863 7.930 9.059 1.00 0.00 H new ATOM 0 HE1 MET A 85 56.680 6.418 12.255 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.217 7.513 10.959 1.00 0.00 H new ATOM 0 HE3 MET A 85 55.881 7.993 12.033 1.00 0.00 H new ATOM 1307 N LYS A 86 56.757 10.627 7.784 1.00 0.00 N ATOM 1308 CA LYS A 86 56.988 11.984 8.363 1.00 0.00 C ATOM 1309 C LYS A 86 58.135 12.688 7.625 1.00 0.00 C ATOM 1310 O LYS A 86 59.288 12.571 7.995 1.00 0.00 O ATOM 1311 CB LYS A 86 57.358 11.726 9.828 1.00 0.00 C ATOM 1312 CG LYS A 86 57.330 13.045 10.608 1.00 0.00 C ATOM 1313 CD LYS A 86 58.764 13.500 10.912 1.00 0.00 C ATOM 1314 CE LYS A 86 58.811 14.165 12.292 1.00 0.00 C ATOM 1315 NZ LYS A 86 59.984 15.086 12.246 1.00 0.00 N ATOM 0 H LYS A 86 57.603 10.119 7.526 1.00 0.00 H new ATOM 0 HA LYS A 86 56.115 12.631 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.659 11.016 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 86 58.349 11.277 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 86 56.811 13.809 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 86 56.775 12.917 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 86 59.441 12.646 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 86 59.104 14.200 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 57.890 14.711 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 86 58.924 13.423 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 60.481 15.061 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 60.632 14.785 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 59.657 16.055 12.056 1.00 0.00 H new ATOM 1329 N ASP A 87 57.826 13.421 6.585 1.00 0.00 N ATOM 1330 CA ASP A 87 58.895 14.138 5.822 1.00 0.00 C ATOM 1331 C ASP A 87 59.294 15.428 6.558 1.00 0.00 C ATOM 1332 O ASP A 87 59.029 16.528 6.105 1.00 0.00 O ATOM 1333 CB ASP A 87 58.270 14.447 4.457 1.00 0.00 C ATOM 1334 CG ASP A 87 58.321 13.197 3.578 1.00 0.00 C ATOM 1335 OD1 ASP A 87 59.345 12.977 2.952 1.00 0.00 O ATOM 1336 OD2 ASP A 87 57.334 12.481 3.545 1.00 0.00 O ATOM 0 H ASP A 87 56.879 13.554 6.230 1.00 0.00 H new ATOM 0 HA ASP A 87 59.805 13.546 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 87 57.238 14.774 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 87 58.807 15.265 3.976 1.00 0.00 H new ATOM 1341 N ASP A 88 59.928 15.293 7.696 1.00 0.00 N ATOM 1342 CA ASP A 88 60.353 16.491 8.483 1.00 0.00 C ATOM 1343 C ASP A 88 61.456 16.101 9.479 1.00 0.00 C ATOM 1344 O ASP A 88 61.589 14.948 9.849 1.00 0.00 O ATOM 1345 CB ASP A 88 59.085 16.948 9.219 1.00 0.00 C ATOM 1346 CG ASP A 88 59.433 18.034 10.240 1.00 0.00 C ATOM 1347 OD1 ASP A 88 59.795 19.121 9.823 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.330 17.756 11.423 1.00 0.00 O ATOM 0 H ASP A 88 60.171 14.396 8.117 1.00 0.00 H new ATOM 0 HA ASP A 88 60.763 17.282 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 88 58.357 17.330 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 88 58.621 16.100 9.722 1.00 0.00 H new ATOM 1353 N SER A 89 62.244 17.052 9.916 1.00 0.00 N ATOM 1354 CA SER A 89 63.340 16.742 10.891 1.00 0.00 C ATOM 1355 C SER A 89 62.754 16.434 12.277 1.00 0.00 C ATOM 1356 O SER A 89 62.952 15.325 12.746 1.00 0.00 O ATOM 1357 CB SER A 89 64.218 18.000 10.941 1.00 0.00 C ATOM 1358 OG SER A 89 63.400 19.166 10.891 1.00 0.00 O ATOM 1359 OXT SER A 89 62.117 17.307 12.845 1.00 0.00 O ATOM 0 H SER A 89 62.177 18.032 9.640 1.00 0.00 H new ATOM 0 HA SER A 89 63.914 15.866 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 89 64.814 18.002 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 89 64.917 18.000 10.105 1.00 0.00 H new ATOM 0 HG SER A 89 62.631 19.052 11.487 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 51.773 17.521 -2.161 1.00 0.00 N ATOM 1367 CA ARG B 144 52.381 16.213 -2.562 1.00 0.00 C ATOM 1368 C ARG B 144 51.774 15.728 -3.887 1.00 0.00 C ATOM 1369 O ARG B 144 50.593 15.447 -3.972 1.00 0.00 O ATOM 1370 CB ARG B 144 52.043 15.240 -1.423 1.00 0.00 C ATOM 1371 CG ARG B 144 53.313 14.919 -0.625 1.00 0.00 C ATOM 1372 CD ARG B 144 53.319 13.435 -0.242 1.00 0.00 C ATOM 1373 NE ARG B 144 53.075 13.411 1.231 1.00 0.00 N ATOM 1374 CZ ARG B 144 53.983 12.937 2.038 1.00 0.00 C ATOM 1375 NH1 ARG B 144 55.062 13.626 2.279 1.00 0.00 N ATOM 1376 NH2 ARG B 144 53.809 11.776 2.602 1.00 0.00 N ATOM 0 HA ARG B 144 53.457 16.293 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG B 144 51.291 15.679 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG B 144 51.616 14.323 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG B 144 54.197 15.155 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG B 144 53.357 15.537 0.272 1.00 0.00 H new ATOM 0 HD2 ARG B 144 52.545 12.887 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG B 144 54.272 12.968 -0.491 1.00 0.00 H new ATOM 0 HE ARG B 144 52.196 13.766 1.607 1.00 0.00 H new ATOM 0 HH11 ARG B 144 55.196 14.535 1.837 1.00 0.00 H new ATOM 0 HH12 ARG B 144 55.773 13.256 2.910 1.00 0.00 H new ATOM 0 HH21 ARG B 144 52.963 11.238 2.412 1.00 0.00 H new ATOM 0 HH22 ARG B 144 54.519 11.404 3.233 1.00 0.00 H new ATOM 1392 N ARG B 145 52.576 15.630 -4.919 1.00 0.00 N ATOM 1393 CA ARG B 145 52.053 15.161 -6.241 1.00 0.00 C ATOM 1394 C ARG B 145 51.817 13.644 -6.212 1.00 0.00 C ATOM 1395 O ARG B 145 50.789 13.161 -6.650 1.00 0.00 O ATOM 1396 CB ARG B 145 53.143 15.524 -7.253 1.00 0.00 C ATOM 1397 CG ARG B 145 52.664 15.189 -8.670 1.00 0.00 C ATOM 1398 CD ARG B 145 51.883 16.378 -9.242 1.00 0.00 C ATOM 1399 NE ARG B 145 50.988 15.789 -10.281 1.00 0.00 N ATOM 1400 CZ ARG B 145 51.253 15.952 -11.548 1.00 0.00 C ATOM 1401 NH1 ARG B 145 52.242 15.304 -12.094 1.00 0.00 N ATOM 1402 NH2 ARG B 145 50.536 16.771 -12.265 1.00 0.00 N ATOM 0 H ARG B 145 53.571 15.855 -4.903 1.00 0.00 H new ATOM 0 HA ARG B 145 51.098 15.621 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG B 145 53.381 16.585 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG B 145 54.058 14.976 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG B 145 53.517 14.960 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG B 145 52.032 14.301 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG B 145 51.308 16.882 -8.466 1.00 0.00 H new ATOM 0 HD3 ARG B 145 52.554 17.120 -9.674 1.00 0.00 H new ATOM 0 HE ARG B 145 50.165 15.256 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG B 145 52.809 14.670 -11.531 1.00 0.00 H new ATOM 0 HH12 ARG B 145 52.450 15.431 -13.085 1.00 0.00 H new ATOM 0 HH21 ARG B 145 49.767 17.285 -11.836 1.00 0.00 H new ATOM 0 HH22 ARG B 145 50.744 16.898 -13.255 1.00 0.00 H new ATOM 1416 N VAL B 146 52.755 12.890 -5.691 1.00 0.00 N ATOM 1417 CA VAL B 146 52.577 11.405 -5.623 1.00 0.00 C ATOM 1418 C VAL B 146 51.960 11.032 -4.268 1.00 0.00 C ATOM 1419 O VAL B 146 52.339 11.564 -3.241 1.00 0.00 O ATOM 1420 CB VAL B 146 53.983 10.799 -5.773 1.00 0.00 C ATOM 1421 CG1 VAL B 146 53.864 9.359 -6.277 1.00 0.00 C ATOM 1422 CG2 VAL B 146 54.807 11.604 -6.786 1.00 0.00 C ATOM 0 H VAL B 146 53.635 13.238 -5.310 1.00 0.00 H new ATOM 0 HA VAL B 146 51.913 11.031 -6.402 1.00 0.00 H new ATOM 0 HB VAL B 146 54.478 10.823 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.859 8.928 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL B 146 53.288 8.770 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.360 9.352 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL B 146 55.799 11.163 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL B 146 54.309 11.588 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL B 146 54.900 12.634 -6.443 1.00 0.00 H new ATOM 1432 N ARG B 147 51.001 10.141 -4.256 1.00 0.00 N ATOM 1433 CA ARG B 147 50.349 9.762 -2.964 1.00 0.00 C ATOM 1434 C ARG B 147 50.817 8.381 -2.484 1.00 0.00 C ATOM 1435 O ARG B 147 50.480 7.363 -3.058 1.00 0.00 O ATOM 1436 CB ARG B 147 48.847 9.754 -3.266 1.00 0.00 C ATOM 1437 CG ARG B 147 48.158 10.852 -2.449 1.00 0.00 C ATOM 1438 CD ARG B 147 46.784 11.162 -3.051 1.00 0.00 C ATOM 1439 NE ARG B 147 47.057 12.020 -4.245 1.00 0.00 N ATOM 1440 CZ ARG B 147 47.718 13.139 -4.117 1.00 0.00 C ATOM 1441 NH1 ARG B 147 47.145 14.174 -3.571 1.00 0.00 N ATOM 1442 NH2 ARG B 147 48.948 13.215 -4.539 1.00 0.00 N ATOM 0 H ARG B 147 50.642 9.661 -5.081 1.00 0.00 H new ATOM 0 HA ARG B 147 50.605 10.458 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG B 147 48.678 9.917 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG B 147 48.421 8.781 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG B 147 48.047 10.532 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG B 147 48.773 11.752 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG B 147 46.264 10.247 -3.335 1.00 0.00 H new ATOM 0 HD3 ARG B 147 46.148 11.679 -2.333 1.00 0.00 H new ATOM 0 HE ARG B 147 46.725 11.730 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG B 147 46.181 14.110 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG B 147 47.660 15.048 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG B 147 49.391 12.402 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG B 147 49.468 14.087 -4.441 1.00 0.00 H new ATOM 1456 N ILE B 148 51.587 8.349 -1.425 1.00 0.00 N ATOM 1457 CA ILE B 148 52.081 7.047 -0.876 1.00 0.00 C ATOM 1458 C ILE B 148 51.882 7.022 0.646 1.00 0.00 C ATOM 1459 O ILE B 148 51.056 6.288 1.156 1.00 0.00 O ATOM 1460 CB ILE B 148 53.575 6.994 -1.237 1.00 0.00 C ATOM 1461 CG1 ILE B 148 53.733 6.879 -2.757 1.00 0.00 C ATOM 1462 CG2 ILE B 148 54.230 5.777 -0.572 1.00 0.00 C ATOM 1463 CD1 ILE B 148 54.086 8.248 -3.341 1.00 0.00 C ATOM 0 H ILE B 148 51.897 9.175 -0.913 1.00 0.00 H new ATOM 0 HA ILE B 148 51.545 6.190 -1.284 1.00 0.00 H new ATOM 0 HB ILE B 148 54.057 7.905 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE B 148 54.513 6.157 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE B 148 52.809 6.510 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE B 148 55.288 5.746 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE B 148 54.124 5.853 0.510 1.00 0.00 H new ATOM 0 HG23 ILE B 148 53.744 4.866 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE B 148 54.198 8.165 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE B 148 53.290 8.957 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE B 148 55.021 8.599 -2.905 1.00 0.00 H new ATOM 1475 N SER B 149 52.632 7.829 1.368 1.00 0.00 N ATOM 1476 CA SER B 149 52.506 7.882 2.863 1.00 0.00 C ATOM 1477 C SER B 149 52.734 6.495 3.490 1.00 0.00 C ATOM 1478 O SER B 149 53.129 5.556 2.823 1.00 0.00 O ATOM 1479 CB SER B 149 51.080 8.373 3.127 1.00 0.00 C ATOM 1480 OG SER B 149 51.120 9.748 3.486 1.00 0.00 O ATOM 0 H SER B 149 53.333 8.459 0.979 1.00 0.00 H new ATOM 0 HA SER B 149 53.253 8.540 3.307 1.00 0.00 H new ATOM 0 HB2 SER B 149 50.464 8.234 2.238 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.623 7.789 3.926 1.00 0.00 H new ATOM 0 HG SER B 149 50.209 10.069 3.655 1.00 0.00 H new ATOM 1486 N ALA B 150 52.489 6.365 4.770 1.00 0.00 N ATOM 1487 CA ALA B 150 52.686 5.046 5.446 1.00 0.00 C ATOM 1488 C ALA B 150 51.328 4.427 5.804 1.00 0.00 C ATOM 1489 O ALA B 150 50.996 3.349 5.349 1.00 0.00 O ATOM 1490 CB ALA B 150 53.496 5.362 6.706 1.00 0.00 C ATOM 0 H ALA B 150 52.161 7.116 5.377 1.00 0.00 H new ATOM 0 HA ALA B 150 53.199 4.325 4.810 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.682 4.441 7.259 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.447 5.814 6.424 1.00 0.00 H new ATOM 0 HB3 ALA B 150 52.936 6.055 7.334 1.00 0.00 H new ATOM 1496 N ASP B 151 50.540 5.105 6.606 1.00 0.00 N ATOM 1497 CA ASP B 151 49.195 4.562 6.989 1.00 0.00 C ATOM 1498 C ASP B 151 48.330 4.311 5.739 1.00 0.00 C ATOM 1499 O ASP B 151 47.508 3.414 5.718 1.00 0.00 O ATOM 1500 CB ASP B 151 48.564 5.640 7.888 1.00 0.00 C ATOM 1501 CG ASP B 151 48.151 6.859 7.054 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.032 7.530 6.537 1.00 0.00 O ATOM 1503 OD2 ASP B 151 46.961 7.100 6.947 1.00 0.00 O ATOM 0 H ASP B 151 50.770 6.012 7.012 1.00 0.00 H new ATOM 0 HA ASP B 151 49.275 3.604 7.503 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.694 5.231 8.401 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.274 5.942 8.658 1.00 0.00 H new ATOM 1508 N ALA B 152 48.516 5.091 4.700 1.00 0.00 N ATOM 1509 CA ALA B 152 47.712 4.894 3.454 1.00 0.00 C ATOM 1510 C ALA B 152 48.163 3.617 2.729 1.00 0.00 C ATOM 1511 O ALA B 152 47.351 2.800 2.333 1.00 0.00 O ATOM 1512 CB ALA B 152 47.993 6.132 2.599 1.00 0.00 C ATOM 0 H ALA B 152 49.190 5.855 4.662 1.00 0.00 H new ATOM 0 HA ALA B 152 46.648 4.779 3.661 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.437 6.062 1.664 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.683 7.026 3.140 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.060 6.191 2.383 1.00 0.00 H new ATOM 1518 N MET B 153 49.452 3.436 2.559 1.00 0.00 N ATOM 1519 CA MET B 153 49.960 2.208 1.866 1.00 0.00 C ATOM 1520 C MET B 153 49.708 0.961 2.728 1.00 0.00 C ATOM 1521 O MET B 153 49.389 -0.096 2.218 1.00 0.00 O ATOM 1522 CB MET B 153 51.464 2.438 1.684 1.00 0.00 C ATOM 1523 CG MET B 153 51.710 3.255 0.413 1.00 0.00 C ATOM 1524 SD MET B 153 51.636 2.165 -1.031 1.00 0.00 S ATOM 1525 CE MET B 153 52.320 3.329 -2.238 1.00 0.00 C ATOM 0 H MET B 153 50.174 4.086 2.870 1.00 0.00 H new ATOM 0 HA MET B 153 49.456 2.042 0.914 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.869 2.963 2.549 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.983 1.482 1.619 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.963 4.044 0.325 1.00 0.00 H new ATOM 0 HG3 MET B 153 52.684 3.742 0.464 1.00 0.00 H new ATOM 0 HE1 MET B 153 51.987 3.053 -3.239 1.00 0.00 H new ATOM 0 HE2 MET B 153 51.976 4.337 -2.007 1.00 0.00 H new ATOM 0 HE3 MET B 153 53.409 3.298 -2.196 1.00 0.00 H new ATOM 1535 N MET B 154 49.847 1.079 4.030 1.00 0.00 N ATOM 1536 CA MET B 154 49.612 -0.099 4.927 1.00 0.00 C ATOM 1537 C MET B 154 48.182 -0.633 4.751 1.00 0.00 C ATOM 1538 O MET B 154 47.971 -1.826 4.645 1.00 0.00 O ATOM 1539 CB MET B 154 49.819 0.429 6.352 1.00 0.00 C ATOM 1540 CG MET B 154 51.315 0.483 6.672 1.00 0.00 C ATOM 1541 SD MET B 154 51.543 0.884 8.422 1.00 0.00 S ATOM 1542 CE MET B 154 51.646 -0.816 9.036 1.00 0.00 C ATOM 0 H MET B 154 50.113 1.940 4.509 1.00 0.00 H new ATOM 0 HA MET B 154 50.286 -0.925 4.699 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.381 1.422 6.449 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.308 -0.216 7.067 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.782 -0.475 6.444 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.804 1.232 6.049 1.00 0.00 H new ATOM 0 HE1 MET B 154 51.199 -0.872 10.029 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.110 -1.481 8.359 1.00 0.00 H new ATOM 0 HE3 MET B 154 52.691 -1.120 9.091 1.00 0.00 H new ATOM 1552 N GLN B 155 47.202 0.242 4.715 1.00 0.00 N ATOM 1553 CA GLN B 155 45.783 -0.214 4.543 1.00 0.00 C ATOM 1554 C GLN B 155 45.617 -0.968 3.213 1.00 0.00 C ATOM 1555 O GLN B 155 44.962 -1.992 3.151 1.00 0.00 O ATOM 1556 CB GLN B 155 44.945 1.072 4.546 1.00 0.00 C ATOM 1557 CG GLN B 155 43.477 0.735 4.834 1.00 0.00 C ATOM 1558 CD GLN B 155 43.353 0.107 6.226 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.243 -1.095 6.355 1.00 0.00 O ATOM 1560 NE2 GLN B 155 43.370 0.874 7.280 1.00 0.00 N ATOM 0 H GLN B 155 47.324 1.251 4.797 1.00 0.00 H new ATOM 0 HA GLN B 155 45.475 -0.901 5.332 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.324 1.762 5.300 1.00 0.00 H new ATOM 0 HB3 GLN B 155 45.030 1.575 3.583 1.00 0.00 H new ATOM 0 HG2 GLN B 155 42.869 1.638 4.777 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.097 0.046 4.079 1.00 0.00 H new ATOM 0 HE21 GLN B 155 43.462 1.884 7.174 1.00 0.00 H new ATOM 0 HE22 GLN B 155 43.291 0.464 8.211 1.00 0.00 H new ATOM 1569 N ALA B 156 46.213 -0.473 2.156 1.00 0.00 N ATOM 1570 CA ALA B 156 46.101 -1.161 0.829 1.00 0.00 C ATOM 1571 C ALA B 156 46.817 -2.521 0.870 1.00 0.00 C ATOM 1572 O ALA B 156 46.345 -3.495 0.316 1.00 0.00 O ATOM 1573 CB ALA B 156 46.788 -0.219 -0.165 1.00 0.00 C ATOM 0 H ALA B 156 46.773 0.379 2.154 1.00 0.00 H new ATOM 0 HA ALA B 156 45.065 -1.359 0.553 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.748 -0.653 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.277 0.744 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.828 -0.077 0.128 1.00 0.00 H new ATOM 1579 N LEU B 157 47.951 -2.589 1.525 1.00 0.00 N ATOM 1580 CA LEU B 157 48.705 -3.882 1.611 1.00 0.00 C ATOM 1581 C LEU B 157 47.935 -4.907 2.459 1.00 0.00 C ATOM 1582 O LEU B 157 47.952 -6.090 2.177 1.00 0.00 O ATOM 1583 CB LEU B 157 50.039 -3.523 2.283 1.00 0.00 C ATOM 1584 CG LEU B 157 51.216 -3.955 1.397 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.164 -5.466 1.158 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.148 -3.223 0.053 1.00 0.00 C ATOM 0 H LEU B 157 48.389 -1.803 2.005 1.00 0.00 H new ATOM 0 HA LEU B 157 48.848 -4.334 0.630 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.086 -2.449 2.463 1.00 0.00 H new ATOM 0 HB3 LEU B 157 50.108 -4.012 3.255 1.00 0.00 H new ATOM 0 HG LEU B 157 52.149 -3.703 1.901 1.00 0.00 H new ATOM 0 HD11 LEU B 157 52.003 -5.764 0.529 1.00 0.00 H new ATOM 0 HD12 LEU B 157 51.224 -5.988 2.113 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.228 -5.724 0.662 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.985 -3.533 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU B 157 50.211 -3.468 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 157 51.199 -2.147 0.222 1.00 0.00 H new ATOM 1598 N LEU B 158 47.263 -4.462 3.495 1.00 0.00 N ATOM 1599 CA LEU B 158 46.494 -5.410 4.364 1.00 0.00 C ATOM 1600 C LEU B 158 45.275 -5.969 3.615 1.00 0.00 C ATOM 1601 O LEU B 158 45.015 -7.157 3.644 1.00 0.00 O ATOM 1602 CB LEU B 158 46.042 -4.578 5.568 1.00 0.00 C ATOM 1603 CG LEU B 158 47.184 -4.472 6.580 1.00 0.00 C ATOM 1604 CD1 LEU B 158 46.996 -3.215 7.430 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.178 -5.705 7.487 1.00 0.00 C ATOM 0 H LEU B 158 47.214 -3.483 3.776 1.00 0.00 H new ATOM 0 HA LEU B 158 47.101 -6.266 4.661 1.00 0.00 H new ATOM 0 HB2 LEU B 158 45.739 -3.583 5.242 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.171 -5.039 6.035 1.00 0.00 H new ATOM 0 HG LEU B 158 48.135 -4.415 6.050 1.00 0.00 H new ATOM 0 HD11 LEU B 158 47.809 -3.139 8.152 1.00 0.00 H new ATOM 0 HD12 LEU B 158 46.999 -2.336 6.785 1.00 0.00 H new ATOM 0 HD13 LEU B 158 46.045 -3.273 7.960 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.992 -5.630 8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 158 46.227 -5.762 8.017 1.00 0.00 H new ATOM 0 HD23 LEU B 158 47.311 -6.602 6.882 1.00 0.00 H new ATOM 1617 N GLY B 159 44.526 -5.123 2.946 1.00 0.00 N ATOM 1618 CA GLY B 159 43.322 -5.609 2.198 1.00 0.00 C ATOM 1619 C GLY B 159 43.715 -6.010 0.771 1.00 0.00 C ATOM 1620 O GLY B 159 43.079 -5.615 -0.186 1.00 0.00 O ATOM 0 H GLY B 159 44.696 -4.119 2.886 1.00 0.00 H new ATOM 0 HA2 GLY B 159 42.882 -6.462 2.716 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.563 -4.828 2.168 1.00 0.00 H new ATOM 1624 N ALA B 160 44.755 -6.795 0.623 1.00 0.00 N ATOM 1625 CA ALA B 160 45.191 -7.225 -0.742 1.00 0.00 C ATOM 1626 C ALA B 160 44.980 -8.741 -0.929 1.00 0.00 C ATOM 1627 O ALA B 160 45.669 -9.376 -1.706 1.00 0.00 O ATOM 1628 CB ALA B 160 46.680 -6.873 -0.797 1.00 0.00 C ATOM 0 H ALA B 160 45.321 -7.157 1.390 1.00 0.00 H new ATOM 0 HA ALA B 160 44.621 -6.737 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA B 160 47.085 -7.155 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA B 160 46.806 -5.800 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA B 160 47.211 -7.412 -0.012 1.00 0.00 H new ATOM 1634 N ARG B 161 44.028 -9.318 -0.224 1.00 0.00 N ATOM 1635 CA ARG B 161 43.751 -10.790 -0.344 1.00 0.00 C ATOM 1636 C ARG B 161 45.020 -11.618 -0.071 1.00 0.00 C ATOM 1637 O ARG B 161 45.497 -12.345 -0.924 1.00 0.00 O ATOM 1638 CB ARG B 161 43.256 -10.999 -1.784 1.00 0.00 C ATOM 1639 CG ARG B 161 41.961 -11.825 -1.777 1.00 0.00 C ATOM 1640 CD ARG B 161 42.235 -13.235 -1.229 1.00 0.00 C ATOM 1641 NE ARG B 161 42.578 -14.060 -2.425 1.00 0.00 N ATOM 1642 CZ ARG B 161 43.825 -14.300 -2.718 1.00 0.00 C ATOM 1643 NH1 ARG B 161 44.455 -15.277 -2.128 1.00 0.00 N ATOM 1644 NH2 ARG B 161 44.436 -13.565 -3.602 1.00 0.00 N ATOM 0 H ARG B 161 43.426 -8.825 0.436 1.00 0.00 H new ATOM 0 HA ARG B 161 43.013 -11.119 0.387 1.00 0.00 H new ATOM 0 HB2 ARG B 161 43.080 -10.035 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG B 161 44.020 -11.510 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG B 161 41.208 -11.329 -1.165 1.00 0.00 H new ATOM 0 HG3 ARG B 161 41.558 -11.891 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG B 161 43.054 -13.226 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG B 161 41.361 -13.634 -0.713 1.00 0.00 H new ATOM 0 HE ARG B 161 41.835 -14.436 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG B 161 43.972 -15.852 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG B 161 45.431 -15.466 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG B 161 43.939 -12.803 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG B 161 45.412 -13.751 -3.833 1.00 0.00 H new ATOM 1658 N ALA B 162 45.559 -11.526 1.120 1.00 0.00 N ATOM 1659 CA ALA B 162 46.786 -12.322 1.450 1.00 0.00 C ATOM 1660 C ALA B 162 46.436 -13.815 1.542 1.00 0.00 C ATOM 1661 O ALA B 162 47.227 -14.667 1.188 1.00 0.00 O ATOM 1662 CB ALA B 162 47.262 -11.793 2.807 1.00 0.00 C ATOM 0 H ALA B 162 45.206 -10.938 1.875 1.00 0.00 H new ATOM 0 HA ALA B 162 47.559 -12.221 0.688 1.00 0.00 H new ATOM 0 HB1 ALA B 162 48.159 -12.331 3.113 1.00 0.00 H new ATOM 0 HB2 ALA B 162 47.487 -10.730 2.724 1.00 0.00 H new ATOM 0 HB3 ALA B 162 46.479 -11.941 3.550 1.00 0.00 H new ATOM 1668 N LYS B 163 45.252 -14.129 2.011 1.00 0.00 N ATOM 1669 CA LYS B 163 44.831 -15.557 2.126 1.00 0.00 C ATOM 1670 C LYS B 163 43.566 -15.801 1.287 1.00 0.00 C ATOM 1671 O LYS B 163 42.548 -15.195 1.587 1.00 0.00 O ATOM 1672 CB LYS B 163 44.548 -15.763 3.619 1.00 0.00 C ATOM 1673 CG LYS B 163 44.834 -17.218 4.008 1.00 0.00 C ATOM 1674 CD LYS B 163 43.682 -18.113 3.543 1.00 0.00 C ATOM 1675 CE LYS B 163 42.429 -17.813 4.373 1.00 0.00 C ATOM 1676 NZ LYS B 163 41.454 -17.225 3.408 1.00 0.00 N ATOM 1677 OXT LYS B 163 43.637 -16.587 0.357 1.00 0.00 O ATOM 0 H LYS B 163 44.556 -13.451 2.321 1.00 0.00 H new ATOM 0 HA LYS B 163 45.589 -16.250 1.760 1.00 0.00 H new ATOM 0 HB2 LYS B 163 45.168 -15.090 4.212 1.00 0.00 H new ATOM 0 HB3 LYS B 163 43.509 -15.516 3.839 1.00 0.00 H new ATOM 0 HG2 LYS B 163 45.769 -17.548 3.556 1.00 0.00 H new ATOM 0 HG3 LYS B 163 44.956 -17.298 5.088 1.00 0.00 H new ATOM 0 HD2 LYS B 163 43.479 -17.942 2.486 1.00 0.00 H new ATOM 0 HD3 LYS B 163 43.958 -19.162 3.649 1.00 0.00 H new ATOM 0 HE2 LYS B 163 42.033 -18.720 4.830 1.00 0.00 H new ATOM 0 HE3 LYS B 163 42.650 -17.118 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 40.543 -17.072 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 41.818 -16.316 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 41.321 -17.876 2.608 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 68.986 -4.359 -0.805 1.00 0.00 CA HETATM 1693 OAA SXK A 91 61.033 11.639 -1.186 1.00 20.00 O HETATM 1694 OAB SXK A 91 60.987 9.664 -0.174 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.274 2.109 -0.497 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.812 7.303 -3.065 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.992 7.191 -0.902 1.00 20.00 C HETATM 1698 CAH SXK A 91 57.446 5.945 -2.940 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.631 5.835 -0.769 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.629 3.474 -0.626 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.647 1.536 -2.442 1.00 20.00 C HETATM 1702 CAL SXK A 91 60.237 9.738 -2.429 1.00 20.00 C HETATM 1703 OAM SXK A 91 58.883 9.245 -2.283 1.00 20.00 O HETATM 1704 CAN SXK A 91 60.797 10.405 -1.161 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.787 1.161 -1.405 1.00 20.00 C HETATM 1706 CAP SXK A 91 58.586 7.925 -2.042 1.00 20.00 C HETATM 1707 CAQ SXK A 91 58.007 2.897 -2.579 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.858 5.211 -1.791 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.495 3.860 -1.666 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.436 -0.145 -1.265 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.850 3.240 -3.603 1.00 20.00 F HETATM 0 HOAB SXK A 91 61.351 8.805 -0.475 1.00 20.00 H new HETATM 0 HALA SXK A 91 60.887 8.909 -2.709 1.00 20.00 H new HETATM 0 HAL SXK A 91 60.265 10.456 -3.248 1.00 20.00 H new HETATM 0 HAK SXK A 91 58.035 0.790 -3.135 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.237 4.215 0.070 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.941 5.268 0.109 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.853 5.462 -3.717 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.585 7.675 -0.126 1.00 20.00 H new HETATM 0 HAF SXK A 91 57.504 7.874 -3.941 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.605 1.792 0.303 1.00 20.00 H new