USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -112:sc= 0.00861 USER MOD Single : A 103 MET CE :methyl 150:sc= -1.43 (180deg=-3.47!) USER MOD Single : A 106 LYS NZ :NH3+ -141:sc= -0.327 (180deg=-1.48!) USER MOD Single : A 107 ASN : amide:sc= -5.38! C(o=-5.4!,f=-20!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 175:sc=-0.00305 (180deg=-0.0335) USER MOD Single : A 120 MET CE :methyl -175:sc=-0.00502 (180deg=-0.0625) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 124 THR OG1 : rot 55:sc= 0.464 USER MOD Single : A 127 THR OG1 : rot -61:sc= 0.932 USER MOD Single : A 129 THR OG1 : rot -60:sc= 1.1 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.00461) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0.581 K(o=0.58,f=-2.2) USER MOD Single : A 144 ASN : amide:sc= -1.08! C(o=-1.1!,f=-0.83!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -159:sc= -3.93! (180deg=-5.27!) USER MOD Single : A 158 LYS NZ :NH3+ -164:sc= -0.0176 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 56.454 10.201 17.615 1.00 0.00 N ATOM 2 CA GLY A 91 55.205 9.797 18.255 1.00 0.00 C ATOM 3 C GLY A 91 54.647 8.530 17.613 1.00 0.00 C ATOM 4 O GLY A 91 53.640 7.983 18.063 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.376 9.626 19.318 1.00 0.00 H new ATOM 0 HA3 GLY A 91 54.474 10.602 18.175 1.00 0.00 H new ATOM 8 N LYS A 92 55.311 8.067 16.556 1.00 0.00 N ATOM 9 CA LYS A 92 54.868 6.862 15.861 1.00 0.00 C ATOM 10 C LYS A 92 55.869 5.730 16.067 1.00 0.00 C ATOM 11 O LYS A 92 56.712 5.461 15.211 1.00 0.00 O ATOM 12 CB LYS A 92 54.720 7.130 14.362 1.00 0.00 C ATOM 13 CG LYS A 92 53.591 8.136 14.133 1.00 0.00 C ATOM 14 CD LYS A 92 52.953 7.887 12.765 1.00 0.00 C ATOM 15 CE LYS A 92 53.494 8.903 11.757 1.00 0.00 C ATOM 16 NZ LYS A 92 52.384 9.785 11.297 1.00 0.00 N ATOM 0 H LYS A 92 56.147 8.502 16.166 1.00 0.00 H new ATOM 0 HA LYS A 92 53.902 6.573 16.274 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.655 7.518 13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.506 6.200 13.835 1.00 0.00 H new ATOM 0 HG2 LYS A 92 52.841 8.041 14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 92 53.980 9.153 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.172 6.873 12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 92 51.869 7.972 12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 92 54.282 9.501 12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 92 53.939 8.386 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.751 10.476 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 51.646 9.208 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 51.979 10.288 12.113 1.00 0.00 H new ATOM 30 N SER A 93 55.765 5.068 17.216 1.00 0.00 N ATOM 31 CA SER A 93 56.666 3.962 17.532 1.00 0.00 C ATOM 32 C SER A 93 56.229 2.698 16.801 1.00 0.00 C ATOM 33 O SER A 93 55.383 2.741 15.908 1.00 0.00 O ATOM 34 CB SER A 93 56.673 3.692 19.037 1.00 0.00 C ATOM 35 OG SER A 93 56.678 4.931 19.735 1.00 0.00 O ATOM 0 H SER A 93 55.074 5.274 17.937 1.00 0.00 H new ATOM 0 HA SER A 93 57.670 4.240 17.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 55.797 3.107 19.317 1.00 0.00 H new ATOM 0 HB3 SER A 93 57.550 3.104 19.309 1.00 0.00 H new ATOM 0 HG SER A 93 56.681 4.763 20.700 1.00 0.00 H new ATOM 41 N GLU A 94 56.816 1.569 17.190 1.00 0.00 N ATOM 42 CA GLU A 94 56.478 0.295 16.562 1.00 0.00 C ATOM 43 C GLU A 94 54.966 0.156 16.428 1.00 0.00 C ATOM 44 O GLU A 94 54.460 -0.340 15.421 1.00 0.00 O ATOM 45 CB GLU A 94 57.017 -0.873 17.391 1.00 0.00 C ATOM 46 CG GLU A 94 57.795 -1.828 16.483 1.00 0.00 C ATOM 47 CD GLU A 94 58.634 -2.774 17.335 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.434 -2.284 18.115 1.00 0.00 O ATOM 49 OE2 GLU A 94 58.463 -3.973 17.196 1.00 0.00 O ATOM 0 H GLU A 94 57.519 1.510 17.927 1.00 0.00 H new ATOM 0 HA GLU A 94 56.935 0.275 15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.665 -0.501 18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 94 56.194 -1.401 17.872 1.00 0.00 H new ATOM 0 HG2 GLU A 94 57.105 -2.398 15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 94 58.438 -1.262 15.809 1.00 0.00 H new ATOM 56 N GLU A 95 54.250 0.603 17.456 1.00 0.00 N ATOM 57 CA GLU A 95 52.792 0.528 17.443 1.00 0.00 C ATOM 58 C GLU A 95 52.255 0.939 16.076 1.00 0.00 C ATOM 59 O GLU A 95 51.231 0.434 15.616 1.00 0.00 O ATOM 60 CB GLU A 95 52.199 1.450 18.511 1.00 0.00 C ATOM 61 CG GLU A 95 51.203 0.666 19.365 1.00 0.00 C ATOM 62 CD GLU A 95 50.139 1.613 19.908 1.00 0.00 C ATOM 63 OE1 GLU A 95 49.572 2.351 19.118 1.00 0.00 O ATOM 64 OE2 GLU A 95 49.906 1.588 21.105 1.00 0.00 O ATOM 0 H GLU A 95 54.649 1.016 18.299 1.00 0.00 H new ATOM 0 HA GLU A 95 52.503 -0.502 17.654 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.993 1.855 19.139 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.702 2.298 18.040 1.00 0.00 H new ATOM 0 HG2 GLU A 95 50.736 -0.119 18.769 1.00 0.00 H new ATOM 0 HG3 GLU A 95 51.722 0.175 20.188 1.00 0.00 H new ATOM 71 N GLU A 96 52.962 1.864 15.433 1.00 0.00 N ATOM 72 CA GLU A 96 52.555 2.343 14.115 1.00 0.00 C ATOM 73 C GLU A 96 53.175 1.479 13.021 1.00 0.00 C ATOM 74 O GLU A 96 52.475 0.939 12.164 1.00 0.00 O ATOM 75 CB GLU A 96 52.994 3.795 13.915 1.00 0.00 C ATOM 76 CG GLU A 96 51.767 4.708 13.930 1.00 0.00 C ATOM 77 CD GLU A 96 51.160 4.767 12.533 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.592 4.000 11.688 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.273 5.579 12.327 1.00 0.00 O ATOM 0 H GLU A 96 53.812 2.294 15.799 1.00 0.00 H new ATOM 0 HA GLU A 96 51.468 2.282 14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.687 4.088 14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.525 3.898 12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.031 4.334 14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 96 52.049 5.708 14.258 1.00 0.00 H new ATOM 86 N LEU A 97 54.498 1.355 13.061 1.00 0.00 N ATOM 87 CA LEU A 97 55.211 0.553 12.070 1.00 0.00 C ATOM 88 C LEU A 97 54.431 -0.719 11.755 1.00 0.00 C ATOM 89 O LEU A 97 54.227 -1.070 10.593 1.00 0.00 O ATOM 90 CB LEU A 97 56.598 0.170 12.591 1.00 0.00 C ATOM 91 CG LEU A 97 57.671 0.871 11.757 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.792 1.362 12.676 1.00 0.00 C ATOM 93 CD2 LEU A 97 58.246 -0.113 10.736 1.00 0.00 C ATOM 0 H LEU A 97 55.095 1.795 13.762 1.00 0.00 H new ATOM 0 HA LEU A 97 55.315 1.150 11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.695 0.453 13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.731 -0.911 12.539 1.00 0.00 H new ATOM 0 HG LEU A 97 57.229 1.720 11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.557 1.862 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.384 2.062 13.405 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.234 0.512 13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 97 59.011 0.386 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 97 58.688 -0.962 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 97 57.449 -0.465 10.081 1.00 0.00 H new ATOM 105 N SER A 98 53.999 -1.407 12.808 1.00 0.00 N ATOM 106 CA SER A 98 53.241 -2.645 12.643 1.00 0.00 C ATOM 107 C SER A 98 52.223 -2.507 11.515 1.00 0.00 C ATOM 108 O SER A 98 51.853 -3.489 10.871 1.00 0.00 O ATOM 109 CB SER A 98 52.504 -2.996 13.936 1.00 0.00 C ATOM 110 OG SER A 98 51.730 -1.879 14.352 1.00 0.00 O ATOM 0 H SER A 98 54.159 -1.132 13.777 1.00 0.00 H new ATOM 0 HA SER A 98 53.947 -3.438 12.398 1.00 0.00 H new ATOM 0 HB2 SER A 98 51.860 -3.861 13.778 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.218 -3.268 14.713 1.00 0.00 H new ATOM 0 HG SER A 98 52.103 -1.514 15.182 1.00 0.00 H new ATOM 116 N ASP A 99 51.769 -1.278 11.287 1.00 0.00 N ATOM 117 CA ASP A 99 50.787 -1.023 10.236 1.00 0.00 C ATOM 118 C ASP A 99 51.484 -0.642 8.933 1.00 0.00 C ATOM 119 O ASP A 99 51.257 -1.254 7.889 1.00 0.00 O ATOM 120 CB ASP A 99 49.842 0.107 10.648 1.00 0.00 C ATOM 121 CG ASP A 99 48.997 -0.345 11.833 1.00 0.00 C ATOM 122 OD1 ASP A 99 47.940 -0.910 11.602 1.00 0.00 O ATOM 123 OD2 ASP A 99 49.418 -0.121 12.956 1.00 0.00 O ATOM 0 H ASP A 99 52.061 -0.451 11.809 1.00 0.00 H new ATOM 0 HA ASP A 99 50.213 -1.937 10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.414 0.996 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.198 0.381 9.812 1.00 0.00 H new ATOM 128 N LEU A 100 52.334 0.378 9.005 1.00 0.00 N ATOM 129 CA LEU A 100 53.060 0.835 7.824 1.00 0.00 C ATOM 130 C LEU A 100 53.575 -0.358 7.024 1.00 0.00 C ATOM 131 O LEU A 100 53.713 -0.290 5.803 1.00 0.00 O ATOM 132 CB LEU A 100 54.243 1.718 8.228 1.00 0.00 C ATOM 133 CG LEU A 100 53.812 3.186 8.214 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.772 4.011 9.073 1.00 0.00 C ATOM 135 CD2 LEU A 100 53.837 3.711 6.776 1.00 0.00 C ATOM 0 H LEU A 100 52.536 0.899 9.858 1.00 0.00 H new ATOM 0 HA LEU A 100 52.373 1.416 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.595 1.441 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.075 1.566 7.541 1.00 0.00 H new ATOM 0 HG LEU A 100 52.802 3.270 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.463 5.056 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.755 3.639 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.782 3.927 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.530 4.757 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 100 54.847 3.625 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 100 53.152 3.125 6.163 1.00 0.00 H new ATOM 147 N PHE A 101 53.851 -1.455 7.726 1.00 0.00 N ATOM 148 CA PHE A 101 54.343 -2.661 7.065 1.00 0.00 C ATOM 149 C PHE A 101 53.244 -3.269 6.201 1.00 0.00 C ATOM 150 O PHE A 101 53.389 -3.395 4.985 1.00 0.00 O ATOM 151 CB PHE A 101 54.800 -3.696 8.096 1.00 0.00 C ATOM 152 CG PHE A 101 55.758 -4.663 7.443 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.281 -5.610 6.529 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.123 -4.611 7.749 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.169 -6.506 5.921 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.012 -5.507 7.142 1.00 0.00 C ATOM 157 CZ PHE A 101 57.534 -6.455 6.228 1.00 0.00 C ATOM 0 H PHE A 101 53.744 -1.534 8.737 1.00 0.00 H new ATOM 0 HA PHE A 101 55.191 -2.382 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.284 -3.199 8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 101 53.939 -4.233 8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.228 -5.650 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.491 -3.880 8.453 1.00 0.00 H new ATOM 0 HE1 PHE A 101 55.801 -7.236 5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.065 -5.467 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.219 -7.147 5.760 1.00 0.00 H new ATOM 167 N ARG A 102 52.136 -3.634 6.841 1.00 0.00 N ATOM 168 CA ARG A 102 51.011 -4.215 6.114 1.00 0.00 C ATOM 169 C ARG A 102 50.414 -3.171 5.180 1.00 0.00 C ATOM 170 O ARG A 102 49.976 -3.481 4.072 1.00 0.00 O ATOM 171 CB ARG A 102 49.930 -4.700 7.082 1.00 0.00 C ATOM 172 CG ARG A 102 48.711 -5.173 6.287 1.00 0.00 C ATOM 173 CD ARG A 102 48.573 -6.693 6.406 1.00 0.00 C ATOM 174 NE ARG A 102 49.753 -7.366 5.858 1.00 0.00 N ATOM 175 CZ ARG A 102 50.740 -7.816 6.639 1.00 0.00 C ATOM 176 NH1 ARG A 102 50.697 -7.657 7.936 1.00 0.00 N ATOM 177 NH2 ARG A 102 51.763 -8.419 6.098 1.00 0.00 N ATOM 0 H ARG A 102 51.994 -3.540 7.847 1.00 0.00 H new ATOM 0 HA ARG A 102 51.375 -5.067 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.315 -5.514 7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.646 -3.895 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 102 47.810 -4.686 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 102 48.816 -4.889 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.443 -6.970 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.680 -7.024 5.876 1.00 0.00 H new ATOM 0 HE ARG A 102 49.824 -7.495 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 102 49.902 -7.184 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 102 51.458 -8.006 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 102 51.805 -8.544 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 102 52.521 -8.765 6.687 1.00 0.00 H new ATOM 191 N MET A 103 50.418 -1.924 5.642 1.00 0.00 N ATOM 192 CA MET A 103 49.891 -0.822 4.845 1.00 0.00 C ATOM 193 C MET A 103 50.604 -0.776 3.499 1.00 0.00 C ATOM 194 O MET A 103 50.038 -0.355 2.489 1.00 0.00 O ATOM 195 CB MET A 103 50.104 0.507 5.572 1.00 0.00 C ATOM 196 CG MET A 103 49.005 1.494 5.179 1.00 0.00 C ATOM 197 SD MET A 103 47.421 0.935 5.854 1.00 0.00 S ATOM 198 CE MET A 103 47.936 0.847 7.587 1.00 0.00 C ATOM 0 H MET A 103 50.778 -1.653 6.557 1.00 0.00 H new ATOM 0 HA MET A 103 48.823 -0.980 4.692 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.094 0.348 6.650 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.082 0.918 5.319 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.243 2.488 5.557 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.943 1.572 4.094 1.00 0.00 H new ATOM 0 HE1 MET A 103 47.080 1.046 8.232 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.327 -0.148 7.800 1.00 0.00 H new ATOM 0 HE3 MET A 103 48.712 1.589 7.774 1.00 0.00 H new ATOM 208 N PHE A 104 51.856 -1.224 3.501 1.00 0.00 N ATOM 209 CA PHE A 104 52.657 -1.246 2.282 1.00 0.00 C ATOM 210 C PHE A 104 52.626 -2.641 1.664 1.00 0.00 C ATOM 211 O PHE A 104 52.305 -2.810 0.488 1.00 0.00 O ATOM 212 CB PHE A 104 54.107 -0.866 2.590 1.00 0.00 C ATOM 213 CG PHE A 104 54.703 -0.134 1.411 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.270 -0.429 0.113 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.690 0.838 1.616 1.00 0.00 C ATOM 216 CE1 PHE A 104 54.824 0.249 -0.980 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.244 1.515 0.523 1.00 0.00 C ATOM 218 CZ PHE A 104 55.811 1.220 -0.775 1.00 0.00 C ATOM 0 H PHE A 104 52.336 -1.575 4.330 1.00 0.00 H new ATOM 0 HA PHE A 104 52.238 -0.524 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.147 -0.237 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.690 -1.761 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.509 -1.179 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 104 56.024 1.065 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.489 0.023 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 104 57.005 2.265 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.239 1.742 -1.618 1.00 0.00 H new ATOM 228 N ASP A 105 52.960 -3.640 2.477 1.00 0.00 N ATOM 229 CA ASP A 105 52.964 -5.022 2.006 1.00 0.00 C ATOM 230 C ASP A 105 51.641 -5.347 1.319 1.00 0.00 C ATOM 231 O ASP A 105 50.608 -5.502 1.971 1.00 0.00 O ATOM 232 CB ASP A 105 53.172 -5.985 3.177 1.00 0.00 C ATOM 233 CG ASP A 105 54.170 -7.066 2.776 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.955 -6.816 1.877 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.134 -8.129 3.374 1.00 0.00 O ATOM 0 H ASP A 105 53.228 -3.521 3.454 1.00 0.00 H new ATOM 0 HA ASP A 105 53.782 -5.138 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.539 -5.442 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.223 -6.439 3.461 1.00 0.00 H new ATOM 240 N LYS A 106 51.685 -5.443 -0.006 1.00 0.00 N ATOM 241 CA LYS A 106 50.482 -5.744 -0.778 1.00 0.00 C ATOM 242 C LYS A 106 50.473 -7.206 -1.211 1.00 0.00 C ATOM 243 O LYS A 106 49.777 -7.584 -2.154 1.00 0.00 O ATOM 244 CB LYS A 106 50.411 -4.856 -2.021 1.00 0.00 C ATOM 245 CG LYS A 106 49.466 -3.682 -1.756 1.00 0.00 C ATOM 246 CD LYS A 106 49.224 -2.919 -3.059 1.00 0.00 C ATOM 247 CE LYS A 106 48.715 -3.888 -4.129 1.00 0.00 C ATOM 248 NZ LYS A 106 47.513 -3.308 -4.793 1.00 0.00 N ATOM 0 H LYS A 106 52.530 -5.319 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 106 49.618 -5.551 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 106 51.405 -4.487 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 106 50.059 -5.435 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 106 48.520 -4.046 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 106 49.896 -3.017 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.497 -2.123 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.147 -2.444 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 106 49.496 -4.076 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.466 -4.848 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 46.819 -4.061 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.089 -2.587 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 47.792 -2.870 -5.694 1.00 0.00 H new ATOM 262 N ASN A 107 51.254 -8.026 -0.514 1.00 0.00 N ATOM 263 CA ASN A 107 51.328 -9.448 -0.838 1.00 0.00 C ATOM 264 C ASN A 107 50.944 -10.298 0.369 1.00 0.00 C ATOM 265 O ASN A 107 50.413 -11.399 0.227 1.00 0.00 O ATOM 266 CB ASN A 107 52.744 -9.824 -1.279 1.00 0.00 C ATOM 267 CG ASN A 107 53.753 -9.248 -0.292 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.376 -8.616 0.695 1.00 0.00 O ATOM 269 ND2 ASN A 107 55.028 -9.431 -0.501 1.00 0.00 N ATOM 0 H ASN A 107 51.838 -7.736 0.270 1.00 0.00 H new ATOM 0 HA ASN A 107 50.629 -9.640 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 107 52.845 -10.908 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 107 52.939 -9.440 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 107 55.712 -9.051 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 107 55.341 -9.955 -1.319 1.00 0.00 H new ATOM 276 N ALA A 108 51.222 -9.776 1.561 1.00 0.00 N ATOM 277 CA ALA A 108 50.903 -10.498 2.790 1.00 0.00 C ATOM 278 C ALA A 108 51.881 -11.650 2.998 1.00 0.00 C ATOM 279 O ALA A 108 51.485 -12.769 3.324 1.00 0.00 O ATOM 280 CB ALA A 108 49.481 -11.057 2.729 1.00 0.00 C ATOM 0 H ALA A 108 51.662 -8.867 1.702 1.00 0.00 H new ATOM 0 HA ALA A 108 50.982 -9.798 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.260 -11.592 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.773 -10.238 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 108 49.395 -11.741 1.884 1.00 0.00 H new ATOM 286 N ASP A 109 53.165 -11.363 2.804 1.00 0.00 N ATOM 287 CA ASP A 109 54.196 -12.384 2.972 1.00 0.00 C ATOM 288 C ASP A 109 55.140 -12.011 4.111 1.00 0.00 C ATOM 289 O ASP A 109 55.964 -12.819 4.542 1.00 0.00 O ATOM 290 CB ASP A 109 55.008 -12.542 1.684 1.00 0.00 C ATOM 291 CG ASP A 109 55.903 -11.323 1.493 1.00 0.00 C ATOM 292 OD1 ASP A 109 55.449 -10.228 1.779 1.00 0.00 O ATOM 293 OD2 ASP A 109 57.030 -11.502 1.061 1.00 0.00 O ATOM 0 H ASP A 109 53.514 -10.444 2.534 1.00 0.00 H new ATOM 0 HA ASP A 109 53.699 -13.325 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.614 -13.447 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.339 -12.652 0.831 1.00 0.00 H new ATOM 298 N GLY A 110 55.010 -10.780 4.598 1.00 0.00 N ATOM 299 CA GLY A 110 55.856 -10.312 5.692 1.00 0.00 C ATOM 300 C GLY A 110 57.105 -9.618 5.158 1.00 0.00 C ATOM 301 O GLY A 110 58.022 -9.295 5.914 1.00 0.00 O ATOM 0 H GLY A 110 54.335 -10.095 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.294 -9.623 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.144 -11.155 6.320 1.00 0.00 H new ATOM 305 N TYR A 111 57.131 -9.390 3.848 1.00 0.00 N ATOM 306 CA TYR A 111 58.275 -8.731 3.223 1.00 0.00 C ATOM 307 C TYR A 111 57.823 -7.912 2.019 1.00 0.00 C ATOM 308 O TYR A 111 57.341 -8.457 1.026 1.00 0.00 O ATOM 309 CB TYR A 111 59.307 -9.762 2.763 1.00 0.00 C ATOM 310 CG TYR A 111 59.918 -10.438 3.966 1.00 0.00 C ATOM 311 CD1 TYR A 111 59.273 -11.530 4.558 1.00 0.00 C ATOM 312 CD2 TYR A 111 61.130 -9.973 4.491 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.838 -12.157 5.674 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.696 -10.600 5.607 1.00 0.00 C ATOM 315 CZ TYR A 111 61.050 -11.692 6.199 1.00 0.00 C ATOM 316 OH TYR A 111 61.608 -12.311 7.299 1.00 0.00 O ATOM 0 H TYR A 111 56.383 -9.648 3.204 1.00 0.00 H new ATOM 0 HA TYR A 111 58.728 -8.073 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.834 -10.503 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.084 -9.276 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.338 -11.889 4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.628 -9.130 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.339 -12.999 6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.631 -10.241 6.011 1.00 0.00 H new ATOM 0 HH TYR A 111 62.448 -11.865 7.534 1.00 0.00 H new ATOM 326 N ILE A 112 57.986 -6.596 2.117 1.00 0.00 N ATOM 327 CA ILE A 112 57.591 -5.708 1.028 1.00 0.00 C ATOM 328 C ILE A 112 58.555 -5.844 -0.144 1.00 0.00 C ATOM 329 O ILE A 112 59.765 -5.987 0.038 1.00 0.00 O ATOM 330 CB ILE A 112 57.578 -4.253 1.497 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.452 -4.059 2.513 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.348 -3.329 0.300 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.049 -3.648 3.857 1.00 0.00 C ATOM 0 H ILE A 112 58.384 -6.125 2.929 1.00 0.00 H new ATOM 0 HA ILE A 112 56.588 -5.993 0.710 1.00 0.00 H new ATOM 0 HB ILE A 112 58.535 -4.012 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.758 -3.296 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.882 -4.982 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.339 -2.292 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.149 -3.468 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.392 -3.567 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.248 -3.509 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.726 -4.427 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.599 -2.714 3.740 1.00 0.00 H new ATOM 345 N ASP A 113 58.002 -5.797 -1.351 1.00 0.00 N ATOM 346 CA ASP A 113 58.815 -5.915 -2.557 1.00 0.00 C ATOM 347 C ASP A 113 58.659 -4.672 -3.426 1.00 0.00 C ATOM 348 O ASP A 113 57.998 -3.708 -3.042 1.00 0.00 O ATOM 349 CB ASP A 113 58.399 -7.145 -3.367 1.00 0.00 C ATOM 350 CG ASP A 113 56.880 -7.176 -3.500 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.375 -6.568 -4.429 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.245 -7.805 -2.671 1.00 0.00 O ATOM 0 H ASP A 113 57.003 -5.679 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 113 59.856 -6.018 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.861 -7.117 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.750 -8.053 -2.876 1.00 0.00 H new ATOM 357 N LEU A 114 59.277 -4.706 -4.603 1.00 0.00 N ATOM 358 CA LEU A 114 59.203 -3.576 -5.523 1.00 0.00 C ATOM 359 C LEU A 114 57.916 -3.636 -6.340 1.00 0.00 C ATOM 360 O LEU A 114 57.413 -2.615 -6.809 1.00 0.00 O ATOM 361 CB LEU A 114 60.400 -3.583 -6.475 1.00 0.00 C ATOM 362 CG LEU A 114 60.322 -2.373 -7.407 1.00 0.00 C ATOM 363 CD1 LEU A 114 60.566 -1.093 -6.607 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.388 -2.502 -8.498 1.00 0.00 C ATOM 0 H LEU A 114 59.829 -5.495 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 114 59.214 -2.660 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.330 -3.557 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.408 -4.504 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 114 59.334 -2.331 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 114 60.510 -0.232 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 114 59.808 -1.000 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.554 -1.133 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.334 -1.640 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.376 -2.544 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 114 61.215 -3.413 -9.070 1.00 0.00 H new ATOM 376 N GLU A 115 57.389 -4.846 -6.505 1.00 0.00 N ATOM 377 CA GLU A 115 56.157 -5.031 -7.268 1.00 0.00 C ATOM 378 C GLU A 115 55.018 -4.230 -6.646 1.00 0.00 C ATOM 379 O GLU A 115 53.993 -3.984 -7.282 1.00 0.00 O ATOM 380 CB GLU A 115 55.762 -6.509 -7.303 1.00 0.00 C ATOM 381 CG GLU A 115 56.132 -7.106 -8.662 1.00 0.00 C ATOM 382 CD GLU A 115 56.850 -8.435 -8.456 1.00 0.00 C ATOM 383 OE1 GLU A 115 58.054 -8.411 -8.263 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.185 -9.457 -8.492 1.00 0.00 O ATOM 0 H GLU A 115 57.789 -5.704 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 115 56.338 -4.679 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.271 -7.051 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.691 -6.614 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.234 -7.255 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.772 -6.416 -9.212 1.00 0.00 H new ATOM 391 N GLU A 116 55.208 -3.824 -5.393 1.00 0.00 N ATOM 392 CA GLU A 116 54.187 -3.050 -4.692 1.00 0.00 C ATOM 393 C GLU A 116 54.589 -1.579 -4.618 1.00 0.00 C ATOM 394 O GLU A 116 53.763 -0.685 -4.795 1.00 0.00 O ATOM 395 CB GLU A 116 53.984 -3.582 -3.273 1.00 0.00 C ATOM 396 CG GLU A 116 53.805 -5.101 -3.317 1.00 0.00 C ATOM 397 CD GLU A 116 54.439 -5.726 -2.080 1.00 0.00 C ATOM 398 OE1 GLU A 116 55.468 -5.230 -1.651 1.00 0.00 O ATOM 399 OE2 GLU A 116 53.887 -6.692 -1.579 1.00 0.00 O ATOM 0 H GLU A 116 56.049 -4.015 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 116 53.255 -3.146 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.841 -3.324 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.109 -3.115 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.745 -5.351 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.266 -5.506 -4.218 1.00 0.00 H new ATOM 406 N LEU A 117 55.871 -1.342 -4.352 1.00 0.00 N ATOM 407 CA LEU A 117 56.381 0.024 -4.253 1.00 0.00 C ATOM 408 C LEU A 117 55.770 0.906 -5.338 1.00 0.00 C ATOM 409 O LEU A 117 55.359 2.038 -5.079 1.00 0.00 O ATOM 410 CB LEU A 117 57.904 0.036 -4.402 1.00 0.00 C ATOM 411 CG LEU A 117 58.551 0.258 -3.034 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.278 -1.016 -2.598 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.554 1.410 -3.128 1.00 0.00 C ATOM 0 H LEU A 117 56.570 -2.070 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 117 56.106 0.414 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.245 -0.907 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.206 0.825 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 117 57.780 0.503 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.739 -0.857 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.565 -1.838 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.049 -1.263 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.016 1.570 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.324 1.163 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.037 2.318 -3.438 1.00 0.00 H new ATOM 425 N LYS A 118 55.717 0.377 -6.557 1.00 0.00 N ATOM 426 CA LYS A 118 55.157 1.125 -7.681 1.00 0.00 C ATOM 427 C LYS A 118 53.682 1.430 -7.443 1.00 0.00 C ATOM 428 O LYS A 118 53.191 2.505 -7.786 1.00 0.00 O ATOM 429 CB LYS A 118 55.288 0.323 -8.977 1.00 0.00 C ATOM 430 CG LYS A 118 56.756 0.268 -9.403 1.00 0.00 C ATOM 431 CD LYS A 118 56.905 -0.682 -10.592 1.00 0.00 C ATOM 432 CE LYS A 118 58.322 -1.258 -10.613 1.00 0.00 C ATOM 433 NZ LYS A 118 59.276 -0.212 -11.081 1.00 0.00 N ATOM 0 H LYS A 118 56.051 -0.558 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 118 55.713 2.058 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.903 -0.687 -8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.688 0.783 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 118 57.105 1.264 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.375 -0.072 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.175 -1.488 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.703 -0.151 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.602 -1.601 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.364 -2.125 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 60.248 -0.575 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 59.064 0.034 -12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 59.182 0.635 -10.485 1.00 0.00 H new ATOM 447 N ILE A 119 52.981 0.467 -6.856 1.00 0.00 N ATOM 448 CA ILE A 119 51.556 0.633 -6.580 1.00 0.00 C ATOM 449 C ILE A 119 51.308 1.921 -5.801 1.00 0.00 C ATOM 450 O ILE A 119 50.305 2.604 -6.008 1.00 0.00 O ATOM 451 CB ILE A 119 51.019 -0.547 -5.767 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.446 -1.865 -6.422 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.492 -0.478 -5.718 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.951 -1.908 -7.867 1.00 0.00 C ATOM 0 H ILE A 119 53.370 -0.429 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 119 51.037 0.678 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 119 51.422 -0.499 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 119 52.532 -1.960 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.040 -2.708 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.108 -1.318 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.185 0.457 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.093 -0.523 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.257 -2.847 -8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 119 49.864 -1.834 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 119 51.379 -1.074 -8.423 1.00 0.00 H new ATOM 466 N MET A 120 52.231 2.242 -4.898 1.00 0.00 N ATOM 467 CA MET A 120 52.100 3.449 -4.085 1.00 0.00 C ATOM 468 C MET A 120 52.345 4.697 -4.927 1.00 0.00 C ATOM 469 O MET A 120 51.491 5.579 -5.016 1.00 0.00 O ATOM 470 CB MET A 120 53.099 3.428 -2.926 1.00 0.00 C ATOM 471 CG MET A 120 52.791 4.579 -1.966 1.00 0.00 C ATOM 472 SD MET A 120 51.103 4.405 -1.337 1.00 0.00 S ATOM 473 CE MET A 120 51.446 4.891 0.372 1.00 0.00 C ATOM 0 H MET A 120 53.069 1.691 -4.712 1.00 0.00 H new ATOM 0 HA MET A 120 51.084 3.473 -3.690 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.041 2.476 -2.399 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.116 3.520 -3.307 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.501 4.576 -1.139 1.00 0.00 H new ATOM 0 HG3 MET A 120 52.903 5.534 -2.479 1.00 0.00 H new ATOM 0 HE1 MET A 120 50.545 4.769 0.973 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.240 4.263 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.761 5.934 0.397 1.00 0.00 H new ATOM 483 N LEU A 121 53.523 4.765 -5.540 1.00 0.00 N ATOM 484 CA LEU A 121 53.871 5.915 -6.370 1.00 0.00 C ATOM 485 C LEU A 121 52.771 6.187 -7.391 1.00 0.00 C ATOM 486 O LEU A 121 52.052 7.181 -7.300 1.00 0.00 O ATOM 487 CB LEU A 121 55.189 5.668 -7.107 1.00 0.00 C ATOM 488 CG LEU A 121 56.261 5.238 -6.104 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.636 5.271 -6.776 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.256 6.195 -4.910 1.00 0.00 C ATOM 0 H LEU A 121 54.245 4.047 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 121 53.981 6.780 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.055 4.897 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.503 6.574 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 121 56.049 4.225 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.398 4.964 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.642 4.589 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.848 6.283 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.020 5.889 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.466 7.208 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.278 6.171 -4.429 1.00 0.00 H new ATOM 502 N GLN A 122 52.646 5.290 -8.365 1.00 0.00 N ATOM 503 CA GLN A 122 51.626 5.445 -9.397 1.00 0.00 C ATOM 504 C GLN A 122 50.296 5.840 -8.765 1.00 0.00 C ATOM 505 O GLN A 122 49.484 6.537 -9.374 1.00 0.00 O ATOM 506 CB GLN A 122 51.441 4.140 -10.174 1.00 0.00 C ATOM 507 CG GLN A 122 52.756 3.759 -10.855 1.00 0.00 C ATOM 508 CD GLN A 122 52.460 2.955 -12.116 1.00 0.00 C ATOM 509 OE1 GLN A 122 51.496 2.192 -12.162 1.00 0.00 O ATOM 510 NE2 GLN A 122 53.239 3.084 -13.155 1.00 0.00 N ATOM 0 H GLN A 122 53.230 4.459 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 122 51.955 6.226 -10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.125 3.344 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.654 4.257 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 122 53.321 4.656 -11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 122 53.374 3.174 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 122 54.038 3.716 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 122 53.048 2.552 -14.004 1.00 0.00 H new ATOM 519 N ALA A 123 50.085 5.387 -7.532 1.00 0.00 N ATOM 520 CA ALA A 123 48.851 5.698 -6.817 1.00 0.00 C ATOM 521 C ALA A 123 48.814 7.175 -6.439 1.00 0.00 C ATOM 522 O ALA A 123 47.761 7.811 -6.468 1.00 0.00 O ATOM 523 CB ALA A 123 48.742 4.855 -5.545 1.00 0.00 C ATOM 0 H ALA A 123 50.745 4.809 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 123 48.013 5.470 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.816 5.100 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.741 3.797 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.591 5.066 -4.895 1.00 0.00 H new ATOM 529 N THR A 124 49.978 7.714 -6.086 1.00 0.00 N ATOM 530 CA THR A 124 50.067 9.122 -5.706 1.00 0.00 C ATOM 531 C THR A 124 50.386 9.981 -6.925 1.00 0.00 C ATOM 532 O THR A 124 51.316 10.787 -6.908 1.00 0.00 O ATOM 533 CB THR A 124 51.157 9.327 -4.652 1.00 0.00 C ATOM 534 OG1 THR A 124 52.201 8.387 -4.863 1.00 0.00 O ATOM 535 CG2 THR A 124 50.563 9.131 -3.257 1.00 0.00 C ATOM 0 H THR A 124 50.862 7.206 -6.055 1.00 0.00 H new ATOM 0 HA THR A 124 49.104 9.420 -5.291 1.00 0.00 H new ATOM 0 HB THR A 124 51.557 10.337 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 124 52.532 8.467 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.340 9.277 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 124 49.764 9.854 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 124 50.161 8.121 -3.171 1.00 0.00 H new ATOM 543 N GLY A 125 49.602 9.797 -7.985 1.00 0.00 N ATOM 544 CA GLY A 125 49.808 10.560 -9.213 1.00 0.00 C ATOM 545 C GLY A 125 51.149 10.209 -9.846 1.00 0.00 C ATOM 546 O GLY A 125 51.665 10.942 -10.690 1.00 0.00 O ATOM 0 H GLY A 125 48.827 9.134 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 125 49.002 10.351 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 125 49.771 11.627 -8.995 1.00 0.00 H new ATOM 550 N GLU A 126 51.708 9.078 -9.427 1.00 0.00 N ATOM 551 CA GLU A 126 52.994 8.634 -9.955 1.00 0.00 C ATOM 552 C GLU A 126 54.096 9.613 -9.561 1.00 0.00 C ATOM 553 O GLU A 126 54.952 9.304 -8.735 1.00 0.00 O ATOM 554 CB GLU A 126 52.939 8.528 -11.480 1.00 0.00 C ATOM 555 CG GLU A 126 51.559 8.025 -11.906 1.00 0.00 C ATOM 556 CD GLU A 126 50.812 9.139 -12.631 1.00 0.00 C ATOM 557 OE1 GLU A 126 51.389 9.721 -13.536 1.00 0.00 O ATOM 558 OE2 GLU A 126 49.675 9.395 -12.272 1.00 0.00 O ATOM 0 H GLU A 126 51.296 8.457 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 126 53.212 7.653 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 126 53.139 9.500 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 126 53.712 7.847 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 126 51.662 7.158 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.993 7.702 -11.033 1.00 0.00 H new ATOM 565 N THR A 127 54.061 10.801 -10.161 1.00 0.00 N ATOM 566 CA THR A 127 55.061 11.824 -9.866 1.00 0.00 C ATOM 567 C THR A 127 56.436 11.186 -9.669 1.00 0.00 C ATOM 568 O THR A 127 57.252 11.657 -8.877 1.00 0.00 O ATOM 569 CB THR A 127 54.668 12.604 -8.606 1.00 0.00 C ATOM 570 OG1 THR A 127 55.805 13.280 -8.088 1.00 0.00 O ATOM 571 CG2 THR A 127 54.122 11.639 -7.553 1.00 0.00 C ATOM 0 H THR A 127 53.359 11.077 -10.847 1.00 0.00 H new ATOM 0 HA THR A 127 55.108 12.511 -10.711 1.00 0.00 H new ATOM 0 HB THR A 127 53.899 13.334 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 127 56.491 12.625 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 127 53.843 12.196 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 127 53.245 11.126 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 127 54.888 10.906 -7.300 1.00 0.00 H new ATOM 579 N ILE A 128 56.681 10.108 -10.409 1.00 0.00 N ATOM 580 CA ILE A 128 57.960 9.404 -10.326 1.00 0.00 C ATOM 581 C ILE A 128 58.379 8.937 -11.721 1.00 0.00 C ATOM 582 O ILE A 128 57.591 8.340 -12.454 1.00 0.00 O ATOM 583 CB ILE A 128 57.849 8.201 -9.368 1.00 0.00 C ATOM 584 CG1 ILE A 128 58.236 8.645 -7.954 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.788 7.066 -9.801 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.992 9.116 -7.199 1.00 0.00 C ATOM 0 H ILE A 128 56.017 9.704 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 128 58.717 10.084 -9.935 1.00 0.00 H new ATOM 0 HB ILE A 128 56.821 7.838 -9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 128 58.706 7.819 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 128 58.969 9.450 -8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.691 6.229 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.523 6.738 -10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.818 7.424 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.274 9.430 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 128 56.541 9.955 -7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 128 56.274 8.299 -7.135 1.00 0.00 H new ATOM 598 N THR A 129 59.628 9.222 -12.080 1.00 0.00 N ATOM 599 CA THR A 129 60.139 8.831 -13.391 1.00 0.00 C ATOM 600 C THR A 129 61.079 7.635 -13.271 1.00 0.00 C ATOM 601 O THR A 129 62.162 7.617 -13.855 1.00 0.00 O ATOM 602 CB THR A 129 60.892 9.994 -14.042 1.00 0.00 C ATOM 603 OG1 THR A 129 61.563 9.529 -15.205 1.00 0.00 O ATOM 604 CG2 THR A 129 61.912 10.562 -13.054 1.00 0.00 C ATOM 0 H THR A 129 60.298 9.716 -11.490 1.00 0.00 H new ATOM 0 HA THR A 129 59.286 8.557 -14.011 1.00 0.00 H new ATOM 0 HB THR A 129 60.185 10.776 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 129 62.197 8.824 -14.957 1.00 0.00 H new ATOM 0 HG21 THR A 129 62.447 11.390 -13.519 1.00 0.00 H new ATOM 0 HG22 THR A 129 61.396 10.919 -12.163 1.00 0.00 H new ATOM 0 HG23 THR A 129 62.621 9.783 -12.775 1.00 0.00 H new ATOM 612 N GLU A 130 60.647 6.630 -12.512 1.00 0.00 N ATOM 613 CA GLU A 130 61.455 5.427 -12.328 1.00 0.00 C ATOM 614 C GLU A 130 62.552 5.663 -11.293 1.00 0.00 C ATOM 615 O GLU A 130 62.589 5.015 -10.249 1.00 0.00 O ATOM 616 CB GLU A 130 62.102 5.012 -13.651 1.00 0.00 C ATOM 617 CG GLU A 130 62.370 3.506 -13.642 1.00 0.00 C ATOM 618 CD GLU A 130 63.468 3.180 -14.649 1.00 0.00 C ATOM 619 OE1 GLU A 130 63.990 4.107 -15.247 1.00 0.00 O ATOM 620 OE2 GLU A 130 63.770 2.009 -14.807 1.00 0.00 O ATOM 0 H GLU A 130 59.753 6.624 -12.020 1.00 0.00 H new ATOM 0 HA GLU A 130 60.795 4.634 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.448 5.270 -14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 130 63.035 5.557 -13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 130 62.669 3.185 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 130 61.459 2.962 -13.892 1.00 0.00 H new ATOM 627 N ASP A 131 63.449 6.594 -11.602 1.00 0.00 N ATOM 628 CA ASP A 131 64.552 6.908 -10.697 1.00 0.00 C ATOM 629 C ASP A 131 64.085 6.890 -9.244 1.00 0.00 C ATOM 630 O ASP A 131 64.643 6.181 -8.406 1.00 0.00 O ATOM 631 CB ASP A 131 65.129 8.289 -11.015 1.00 0.00 C ATOM 632 CG ASP A 131 66.156 8.166 -12.135 1.00 0.00 C ATOM 633 OD1 ASP A 131 67.272 7.766 -11.847 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.811 8.474 -13.264 1.00 0.00 O ATOM 0 H ASP A 131 63.436 7.140 -12.463 1.00 0.00 H new ATOM 0 HA ASP A 131 65.321 6.148 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 131 64.330 8.969 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 131 65.594 8.714 -10.126 1.00 0.00 H new ATOM 639 N ASP A 132 63.060 7.685 -8.953 1.00 0.00 N ATOM 640 CA ASP A 132 62.527 7.765 -7.595 1.00 0.00 C ATOM 641 C ASP A 132 62.292 6.373 -7.015 1.00 0.00 C ATOM 642 O ASP A 132 62.247 6.194 -5.798 1.00 0.00 O ATOM 643 CB ASP A 132 61.207 8.538 -7.582 1.00 0.00 C ATOM 644 CG ASP A 132 61.427 9.910 -6.955 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.942 10.778 -7.641 1.00 0.00 O ATOM 646 OD2 ASP A 132 61.076 10.074 -5.798 1.00 0.00 O ATOM 0 H ASP A 132 62.584 8.279 -9.632 1.00 0.00 H new ATOM 0 HA ASP A 132 63.264 8.286 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.827 8.647 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.455 7.985 -7.019 1.00 0.00 H new ATOM 651 N ILE A 133 62.138 5.388 -7.894 1.00 0.00 N ATOM 652 CA ILE A 133 61.903 4.017 -7.448 1.00 0.00 C ATOM 653 C ILE A 133 63.225 3.303 -7.180 1.00 0.00 C ATOM 654 O ILE A 133 63.565 3.006 -6.035 1.00 0.00 O ATOM 655 CB ILE A 133 61.116 3.236 -8.501 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.689 3.783 -8.574 1.00 0.00 C ATOM 657 CG2 ILE A 133 61.074 1.756 -8.115 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.373 4.199 -10.012 1.00 0.00 C ATOM 0 H ILE A 133 62.171 5.509 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 133 61.325 4.062 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 133 61.600 3.344 -9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.980 3.025 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.581 4.637 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.513 1.200 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 133 62.090 1.366 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.589 1.647 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.356 4.589 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 133 60.074 4.971 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.464 3.334 -10.669 1.00 0.00 H new ATOM 670 N GLU A 134 63.963 3.026 -8.250 1.00 0.00 N ATOM 671 CA GLU A 134 65.246 2.340 -8.119 1.00 0.00 C ATOM 672 C GLU A 134 66.110 3.016 -7.059 1.00 0.00 C ATOM 673 O GLU A 134 66.992 2.394 -6.467 1.00 0.00 O ATOM 674 CB GLU A 134 65.997 2.351 -9.452 1.00 0.00 C ATOM 675 CG GLU A 134 65.174 1.612 -10.509 1.00 0.00 C ATOM 676 CD GLU A 134 66.110 0.866 -11.454 1.00 0.00 C ATOM 677 OE1 GLU A 134 67.303 1.117 -11.394 1.00 0.00 O ATOM 678 OE2 GLU A 134 65.621 0.056 -12.224 1.00 0.00 O ATOM 0 H GLU A 134 63.700 3.262 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 134 65.046 1.311 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 134 66.179 3.377 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.971 1.875 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 134 64.491 0.911 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 134 64.563 2.320 -11.069 1.00 0.00 H new ATOM 685 N GLU A 135 65.851 4.300 -6.830 1.00 0.00 N ATOM 686 CA GLU A 135 66.615 5.058 -5.843 1.00 0.00 C ATOM 687 C GLU A 135 65.992 4.927 -4.454 1.00 0.00 C ATOM 688 O GLU A 135 66.613 4.408 -3.526 1.00 0.00 O ATOM 689 CB GLU A 135 66.663 6.537 -6.229 1.00 0.00 C ATOM 690 CG GLU A 135 67.813 7.222 -5.490 1.00 0.00 C ATOM 691 CD GLU A 135 68.278 8.435 -6.288 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.665 9.481 -6.149 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.239 8.301 -7.027 1.00 0.00 O ATOM 0 H GLU A 135 65.126 4.834 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 135 67.626 4.651 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.798 6.638 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.718 7.019 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.489 7.530 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.639 6.524 -5.354 1.00 0.00 H new ATOM 700 N LEU A 136 64.761 5.413 -4.321 1.00 0.00 N ATOM 701 CA LEU A 136 64.063 5.357 -3.038 1.00 0.00 C ATOM 702 C LEU A 136 63.905 3.914 -2.564 1.00 0.00 C ATOM 703 O LEU A 136 64.035 3.621 -1.375 1.00 0.00 O ATOM 704 CB LEU A 136 62.677 5.996 -3.153 1.00 0.00 C ATOM 705 CG LEU A 136 62.235 6.507 -1.781 1.00 0.00 C ATOM 706 CD1 LEU A 136 60.949 7.323 -1.927 1.00 0.00 C ATOM 707 CD2 LEU A 136 61.980 5.317 -0.853 1.00 0.00 C ATOM 0 H LEU A 136 64.230 5.846 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 136 64.662 5.909 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.702 6.818 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 136 61.959 5.267 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 136 63.018 7.138 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.636 7.686 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.129 8.171 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.165 6.694 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.665 5.680 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.197 4.687 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.896 4.736 -0.747 1.00 0.00 H new ATOM 719 N MET A 137 63.617 3.016 -3.502 1.00 0.00 N ATOM 720 CA MET A 137 63.436 1.607 -3.159 1.00 0.00 C ATOM 721 C MET A 137 64.725 1.018 -2.592 1.00 0.00 C ATOM 722 O MET A 137 64.696 0.176 -1.694 1.00 0.00 O ATOM 723 CB MET A 137 63.022 0.800 -4.391 1.00 0.00 C ATOM 724 CG MET A 137 62.365 -0.507 -3.944 1.00 0.00 C ATOM 725 SD MET A 137 63.477 -1.893 -4.290 1.00 0.00 S ATOM 726 CE MET A 137 62.830 -3.023 -3.033 1.00 0.00 C ATOM 0 H MET A 137 63.505 3.233 -4.492 1.00 0.00 H new ATOM 0 HA MET A 137 62.650 1.550 -2.406 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.329 1.378 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 137 63.893 0.589 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 137 62.138 -0.466 -2.879 1.00 0.00 H new ATOM 0 HG3 MET A 137 61.419 -0.648 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 137 63.383 -3.962 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.942 -2.573 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 137 61.775 -3.216 -3.226 1.00 0.00 H new ATOM 736 N LYS A 138 65.856 1.467 -3.126 1.00 0.00 N ATOM 737 CA LYS A 138 67.152 0.974 -2.665 1.00 0.00 C ATOM 738 C LYS A 138 67.684 1.838 -1.524 1.00 0.00 C ATOM 739 O LYS A 138 68.837 1.707 -1.115 1.00 0.00 O ATOM 740 CB LYS A 138 68.166 0.986 -3.811 1.00 0.00 C ATOM 741 CG LYS A 138 69.481 0.361 -3.340 1.00 0.00 C ATOM 742 CD LYS A 138 70.035 -0.551 -4.437 1.00 0.00 C ATOM 743 CE LYS A 138 70.491 0.296 -5.626 1.00 0.00 C ATOM 744 NZ LYS A 138 71.846 0.852 -5.351 1.00 0.00 N ATOM 0 H LYS A 138 65.904 2.163 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 138 67.013 -0.047 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 138 67.773 0.432 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 138 68.338 2.008 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.203 1.142 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.318 -0.210 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.871 -1.134 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 138 69.271 -1.260 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.512 -0.311 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 138 69.783 1.106 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 71.934 1.788 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 71.982 0.943 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 72.569 0.214 -5.740 1.00 0.00 H new ATOM 758 N ASP A 139 66.830 2.724 -1.016 1.00 0.00 N ATOM 759 CA ASP A 139 67.226 3.607 0.078 1.00 0.00 C ATOM 760 C ASP A 139 66.970 2.943 1.428 1.00 0.00 C ATOM 761 O ASP A 139 67.724 3.134 2.382 1.00 0.00 O ATOM 762 CB ASP A 139 66.445 4.921 0.013 1.00 0.00 C ATOM 763 CG ASP A 139 67.372 6.043 -0.439 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.142 6.516 0.381 1.00 0.00 O ATOM 765 OD2 ASP A 139 67.299 6.414 -1.600 1.00 0.00 O ATOM 0 H ASP A 139 65.871 2.849 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 139 68.292 3.810 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 139 65.609 4.825 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.024 5.155 0.991 1.00 0.00 H new ATOM 770 N GLY A 140 65.893 2.165 1.500 1.00 0.00 N ATOM 771 CA GLY A 140 65.542 1.481 2.742 1.00 0.00 C ATOM 772 C GLY A 140 65.944 0.009 2.696 1.00 0.00 C ATOM 773 O GLY A 140 65.734 -0.734 3.654 1.00 0.00 O ATOM 0 H GLY A 140 65.255 1.993 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.037 1.970 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.469 1.562 2.914 1.00 0.00 H new ATOM 777 N ASP A 141 66.525 -0.405 1.573 1.00 0.00 N ATOM 778 CA ASP A 141 66.953 -1.794 1.419 1.00 0.00 C ATOM 779 C ASP A 141 68.416 -1.948 1.819 1.00 0.00 C ATOM 780 O ASP A 141 69.203 -2.586 1.120 1.00 0.00 O ATOM 781 CB ASP A 141 66.784 -2.252 -0.031 1.00 0.00 C ATOM 782 CG ASP A 141 66.271 -3.688 -0.054 1.00 0.00 C ATOM 783 OD1 ASP A 141 65.635 -4.085 0.909 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.523 -4.372 -1.033 1.00 0.00 O ATOM 0 H ASP A 141 66.709 0.191 0.766 1.00 0.00 H new ATOM 0 HA ASP A 141 66.330 -2.410 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.086 -1.597 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.736 -2.186 -0.558 1.00 0.00 H new ATOM 789 N LYS A 142 68.771 -1.354 2.955 1.00 0.00 N ATOM 790 CA LYS A 142 70.144 -1.430 3.444 1.00 0.00 C ATOM 791 C LYS A 142 70.633 -2.875 3.438 1.00 0.00 C ATOM 792 O LYS A 142 71.808 -3.147 3.191 1.00 0.00 O ATOM 793 CB LYS A 142 70.236 -0.876 4.868 1.00 0.00 C ATOM 794 CG LYS A 142 70.407 0.644 4.815 1.00 0.00 C ATOM 795 CD LYS A 142 71.874 0.985 4.548 1.00 0.00 C ATOM 796 CE LYS A 142 72.281 2.190 5.398 1.00 0.00 C ATOM 797 NZ LYS A 142 73.761 2.361 5.344 1.00 0.00 N ATOM 0 H LYS A 142 68.135 -0.821 3.548 1.00 0.00 H new ATOM 0 HA LYS A 142 70.771 -0.833 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.337 -1.132 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.077 -1.329 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 142 69.777 1.064 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 142 70.085 1.090 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.506 0.129 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 142 72.020 1.206 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 142 71.787 3.090 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 142 71.958 2.046 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 74.037 3.180 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 74.223 1.505 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 74.057 2.517 4.359 1.00 0.00 H new ATOM 811 N ASN A 143 69.716 -3.800 3.710 1.00 0.00 N ATOM 812 CA ASN A 143 70.061 -5.219 3.732 1.00 0.00 C ATOM 813 C ASN A 143 70.422 -5.700 2.331 1.00 0.00 C ATOM 814 O ASN A 143 71.058 -6.740 2.159 1.00 0.00 O ATOM 815 CB ASN A 143 68.888 -6.050 4.257 1.00 0.00 C ATOM 816 CG ASN A 143 69.336 -7.495 4.454 1.00 0.00 C ATOM 817 OD1 ASN A 143 70.460 -7.750 4.887 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.516 -8.467 4.159 1.00 0.00 N ATOM 0 H ASN A 143 68.738 -3.596 3.916 1.00 0.00 H new ATOM 0 HA ASN A 143 70.918 -5.346 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 143 68.530 -5.637 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.056 -6.009 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 143 68.807 -9.436 4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.585 -8.257 3.800 1.00 0.00 H new ATOM 825 N ASN A 144 70.010 -4.928 1.329 1.00 0.00 N ATOM 826 CA ASN A 144 70.295 -5.282 -0.059 1.00 0.00 C ATOM 827 C ASN A 144 69.977 -6.753 -0.309 1.00 0.00 C ATOM 828 O ASN A 144 70.851 -7.538 -0.678 1.00 0.00 O ATOM 829 CB ASN A 144 71.769 -5.029 -0.384 1.00 0.00 C ATOM 830 CG ASN A 144 72.071 -5.517 -1.797 1.00 0.00 C ATOM 831 OD1 ASN A 144 73.104 -6.144 -2.036 1.00 0.00 O ATOM 832 ND2 ASN A 144 71.225 -5.265 -2.757 1.00 0.00 N ATOM 0 H ASN A 144 69.484 -4.063 1.449 1.00 0.00 H new ATOM 0 HA ASN A 144 69.670 -4.660 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.993 -3.966 -0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.405 -5.547 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.419 -5.587 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 144 70.369 -4.746 -2.560 1.00 0.00 H new ATOM 839 N ASP A 145 68.714 -7.117 -0.104 1.00 0.00 N ATOM 840 CA ASP A 145 68.287 -8.498 -0.310 1.00 0.00 C ATOM 841 C ASP A 145 67.235 -8.575 -1.412 1.00 0.00 C ATOM 842 O ASP A 145 67.066 -9.610 -2.057 1.00 0.00 O ATOM 843 CB ASP A 145 67.698 -9.076 0.977 1.00 0.00 C ATOM 844 CG ASP A 145 66.752 -8.057 1.605 1.00 0.00 C ATOM 845 OD1 ASP A 145 66.286 -7.189 0.885 1.00 0.00 O ATOM 846 OD2 ASP A 145 66.508 -8.160 2.796 1.00 0.00 O ATOM 0 H ASP A 145 67.976 -6.483 0.201 1.00 0.00 H new ATOM 0 HA ASP A 145 69.163 -9.077 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.163 -10.001 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 145 68.497 -9.325 1.675 1.00 0.00 H new ATOM 851 N GLY A 146 66.529 -7.467 -1.619 1.00 0.00 N ATOM 852 CA GLY A 146 65.492 -7.418 -2.646 1.00 0.00 C ATOM 853 C GLY A 146 64.105 -7.324 -2.015 1.00 0.00 C ATOM 854 O GLY A 146 63.088 -7.436 -2.699 1.00 0.00 O ATOM 0 H GLY A 146 66.653 -6.600 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.659 -6.559 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.552 -8.308 -3.272 1.00 0.00 H new ATOM 858 N ARG A 147 64.076 -7.116 -0.700 1.00 0.00 N ATOM 859 CA ARG A 147 62.808 -7.007 0.016 1.00 0.00 C ATOM 860 C ARG A 147 62.991 -6.207 1.302 1.00 0.00 C ATOM 861 O ARG A 147 64.077 -5.700 1.585 1.00 0.00 O ATOM 862 CB ARG A 147 62.267 -8.395 0.366 1.00 0.00 C ATOM 863 CG ARG A 147 63.398 -9.255 0.933 1.00 0.00 C ATOM 864 CD ARG A 147 62.886 -10.676 1.178 1.00 0.00 C ATOM 865 NE ARG A 147 62.340 -11.248 -0.050 1.00 0.00 N ATOM 866 CZ ARG A 147 63.142 -11.679 -1.020 1.00 0.00 C ATOM 867 NH1 ARG A 147 64.437 -11.580 -0.889 1.00 0.00 N ATOM 868 NH2 ARG A 147 62.633 -12.198 -2.105 1.00 0.00 N ATOM 0 H ARG A 147 64.906 -7.021 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 147 62.098 -6.496 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.460 -8.310 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.846 -8.868 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.238 -9.274 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.765 -8.824 1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 147 63.699 -11.302 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.118 -10.663 1.951 1.00 0.00 H new ATOM 0 HE ARG A 147 61.329 -11.318 -0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 147 64.834 -11.172 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 147 65.052 -11.911 -1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 147 61.621 -12.273 -2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 147 63.247 -12.529 -2.849 1.00 0.00 H new ATOM 882 N ILE A 148 61.916 -6.099 2.077 1.00 0.00 N ATOM 883 CA ILE A 148 61.967 -5.357 3.333 1.00 0.00 C ATOM 884 C ILE A 148 61.701 -6.290 4.510 1.00 0.00 C ATOM 885 O ILE A 148 60.790 -7.117 4.471 1.00 0.00 O ATOM 886 CB ILE A 148 60.924 -4.238 3.337 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.029 -3.441 2.035 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.177 -3.307 4.524 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.426 -2.831 1.922 1.00 0.00 C ATOM 0 H ILE A 148 61.008 -6.511 1.861 1.00 0.00 H new ATOM 0 HA ILE A 148 62.962 -4.923 3.429 1.00 0.00 H new ATOM 0 HB ILE A 148 59.927 -4.671 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.834 -4.091 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.275 -2.655 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.433 -2.510 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.105 -3.873 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.174 -2.873 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.501 -2.263 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.603 -2.168 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.171 -3.626 1.922 1.00 0.00 H new ATOM 901 N ASP A 149 62.508 -6.147 5.558 1.00 0.00 N ATOM 902 CA ASP A 149 62.352 -6.985 6.744 1.00 0.00 C ATOM 903 C ASP A 149 61.982 -6.135 7.956 1.00 0.00 C ATOM 904 O ASP A 149 62.225 -4.928 7.986 1.00 0.00 O ATOM 905 CB ASP A 149 63.649 -7.740 7.044 1.00 0.00 C ATOM 906 CG ASP A 149 63.516 -8.468 8.377 1.00 0.00 C ATOM 907 OD1 ASP A 149 62.730 -9.398 8.446 1.00 0.00 O ATOM 908 OD2 ASP A 149 64.202 -8.084 9.310 1.00 0.00 O ATOM 0 H ASP A 149 63.267 -5.468 5.611 1.00 0.00 H new ATOM 0 HA ASP A 149 61.554 -7.700 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.860 -8.453 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.488 -7.044 7.079 1.00 0.00 H new ATOM 913 N TYR A 150 61.389 -6.782 8.954 1.00 0.00 N ATOM 914 CA TYR A 150 60.981 -6.087 10.173 1.00 0.00 C ATOM 915 C TYR A 150 62.147 -5.297 10.758 1.00 0.00 C ATOM 916 O TYR A 150 61.954 -4.286 11.434 1.00 0.00 O ATOM 917 CB TYR A 150 60.491 -7.090 11.218 1.00 0.00 C ATOM 918 CG TYR A 150 59.297 -6.521 11.945 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.060 -6.432 11.297 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.427 -6.085 13.269 1.00 0.00 C ATOM 921 CE1 TYR A 150 56.952 -5.905 11.973 1.00 0.00 C ATOM 922 CE2 TYR A 150 58.320 -5.559 13.945 1.00 0.00 C ATOM 923 CZ TYR A 150 57.083 -5.469 13.297 1.00 0.00 C ATOM 924 OH TYR A 150 55.992 -4.951 13.963 1.00 0.00 O ATOM 0 H TYR A 150 61.181 -7.780 8.945 1.00 0.00 H new ATOM 0 HA TYR A 150 60.174 -5.402 9.913 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.222 -8.030 10.736 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.289 -7.312 11.926 1.00 0.00 H new ATOM 0 HD1 TYR A 150 57.960 -6.769 10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 150 60.382 -6.155 13.769 1.00 0.00 H new ATOM 0 HE1 TYR A 150 55.997 -5.835 11.473 1.00 0.00 H new ATOM 0 HE2 TYR A 150 58.421 -5.223 14.966 1.00 0.00 H new ATOM 0 HH TYR A 150 56.254 -4.697 14.873 1.00 0.00 H new ATOM 934 N ASP A 151 63.361 -5.773 10.496 1.00 0.00 N ATOM 935 CA ASP A 151 64.557 -5.109 11.008 1.00 0.00 C ATOM 936 C ASP A 151 64.892 -3.877 10.171 1.00 0.00 C ATOM 937 O ASP A 151 65.214 -2.816 10.707 1.00 0.00 O ATOM 938 CB ASP A 151 65.749 -6.068 10.987 1.00 0.00 C ATOM 939 CG ASP A 151 67.026 -5.302 11.313 1.00 0.00 C ATOM 940 OD1 ASP A 151 67.450 -4.515 10.483 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.562 -5.514 12.389 1.00 0.00 O ATOM 0 H ASP A 151 63.543 -6.607 9.938 1.00 0.00 H new ATOM 0 HA ASP A 151 64.355 -4.801 12.034 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.598 -6.868 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 151 65.834 -6.537 10.007 1.00 0.00 H new ATOM 946 N GLU A 152 64.814 -4.028 8.852 1.00 0.00 N ATOM 947 CA GLU A 152 65.113 -2.921 7.953 1.00 0.00 C ATOM 948 C GLU A 152 64.044 -1.843 8.074 1.00 0.00 C ATOM 949 O GLU A 152 64.306 -0.734 8.541 1.00 0.00 O ATOM 950 CB GLU A 152 65.165 -3.412 6.506 1.00 0.00 C ATOM 951 CG GLU A 152 66.143 -4.583 6.399 1.00 0.00 C ATOM 952 CD GLU A 152 65.662 -5.549 5.322 1.00 0.00 C ATOM 953 OE1 GLU A 152 64.642 -5.268 4.715 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.320 -6.556 5.120 1.00 0.00 O ATOM 0 H GLU A 152 64.549 -4.896 8.387 1.00 0.00 H new ATOM 0 HA GLU A 152 66.082 -2.507 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.172 -3.723 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.478 -2.602 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.140 -4.217 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.218 -5.097 7.357 1.00 0.00 H new ATOM 961 N PHE A 153 62.833 -2.186 7.651 1.00 0.00 N ATOM 962 CA PHE A 153 61.718 -1.249 7.716 1.00 0.00 C ATOM 963 C PHE A 153 61.738 -0.492 9.039 1.00 0.00 C ATOM 964 O PHE A 153 61.595 0.730 9.077 1.00 0.00 O ATOM 965 CB PHE A 153 60.391 -1.998 7.593 1.00 0.00 C ATOM 966 CG PHE A 153 59.379 -1.117 6.903 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.672 -0.567 5.650 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.148 -0.850 7.514 1.00 0.00 C ATOM 969 CE1 PHE A 153 58.736 0.250 5.007 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.211 -0.033 6.871 1.00 0.00 C ATOM 971 CZ PHE A 153 57.505 0.517 5.618 1.00 0.00 C ATOM 0 H PHE A 153 62.599 -3.099 7.262 1.00 0.00 H new ATOM 0 HA PHE A 153 61.818 -0.543 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.532 -2.919 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.028 -2.282 8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 153 60.622 -0.773 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 153 57.922 -1.274 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 153 58.963 0.674 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.261 0.173 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.782 1.148 5.122 1.00 0.00 H new ATOM 981 N LEU A 154 61.916 -1.237 10.125 1.00 0.00 N ATOM 982 CA LEU A 154 61.953 -0.638 11.456 1.00 0.00 C ATOM 983 C LEU A 154 62.712 0.686 11.432 1.00 0.00 C ATOM 984 O LEU A 154 62.292 1.668 12.044 1.00 0.00 O ATOM 985 CB LEU A 154 62.633 -1.585 12.447 1.00 0.00 C ATOM 986 CG LEU A 154 61.614 -2.069 13.483 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.309 -0.938 14.466 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.322 -2.491 12.776 1.00 0.00 C ATOM 0 H LEU A 154 62.036 -2.250 10.111 1.00 0.00 H new ATOM 0 HA LEU A 154 60.925 -0.457 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.059 -2.437 11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.457 -1.075 12.945 1.00 0.00 H new ATOM 0 HG LEU A 154 62.026 -2.921 14.024 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.584 -1.282 15.203 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.227 -0.638 14.972 1.00 0.00 H new ATOM 0 HD13 LEU A 154 60.899 -0.086 13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.598 -2.835 13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 154 59.910 -1.640 12.233 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.537 -3.298 12.076 1.00 0.00 H new ATOM 1000 N GLU A 155 63.836 0.702 10.722 1.00 0.00 N ATOM 1001 CA GLU A 155 64.649 1.913 10.631 1.00 0.00 C ATOM 1002 C GLU A 155 64.079 2.865 9.585 1.00 0.00 C ATOM 1003 O GLU A 155 63.542 3.922 9.914 1.00 0.00 O ATOM 1004 CB GLU A 155 66.090 1.564 10.256 1.00 0.00 C ATOM 1005 CG GLU A 155 67.055 2.382 11.118 1.00 0.00 C ATOM 1006 CD GLU A 155 67.327 3.724 10.447 1.00 0.00 C ATOM 1007 OE1 GLU A 155 67.499 3.736 9.239 1.00 0.00 O ATOM 1008 OE2 GLU A 155 67.359 4.720 11.151 1.00 0.00 O ATOM 0 H GLU A 155 64.202 -0.098 10.207 1.00 0.00 H new ATOM 0 HA GLU A 155 64.635 2.399 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.268 0.499 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.263 1.773 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.630 2.539 12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.989 1.836 11.255 1.00 0.00 H new ATOM 1015 N PHE A 156 64.205 2.479 8.319 1.00 0.00 N ATOM 1016 CA PHE A 156 63.700 3.308 7.229 1.00 0.00 C ATOM 1017 C PHE A 156 62.318 3.854 7.570 1.00 0.00 C ATOM 1018 O PHE A 156 62.133 5.061 7.734 1.00 0.00 O ATOM 1019 CB PHE A 156 63.611 2.496 5.936 1.00 0.00 C ATOM 1020 CG PHE A 156 63.413 3.431 4.768 1.00 0.00 C ATOM 1021 CD1 PHE A 156 64.280 4.516 4.586 1.00 0.00 C ATOM 1022 CD2 PHE A 156 62.364 3.214 3.868 1.00 0.00 C ATOM 1023 CE1 PHE A 156 64.096 5.384 3.503 1.00 0.00 C ATOM 1024 CE2 PHE A 156 62.181 4.082 2.784 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.047 5.167 2.602 1.00 0.00 C ATOM 0 H PHE A 156 64.647 1.608 8.024 1.00 0.00 H new ATOM 0 HA PHE A 156 64.393 4.138 7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.521 1.911 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.783 1.789 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 156 65.090 4.683 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 156 61.696 2.378 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 156 64.764 6.221 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 156 61.372 3.914 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 156 62.906 5.837 1.766 1.00 0.00 H new ATOM 1035 N MET A 157 61.347 2.951 7.675 1.00 0.00 N ATOM 1036 CA MET A 157 59.980 3.350 7.997 1.00 0.00 C ATOM 1037 C MET A 157 59.758 3.332 9.507 1.00 0.00 C ATOM 1038 O MET A 157 59.007 2.508 10.028 1.00 0.00 O ATOM 1039 CB MET A 157 58.978 2.402 7.337 1.00 0.00 C ATOM 1040 CG MET A 157 57.567 2.976 7.474 1.00 0.00 C ATOM 1041 SD MET A 157 57.030 3.644 5.880 1.00 0.00 S ATOM 1042 CE MET A 157 57.363 5.385 6.241 1.00 0.00 C ATOM 0 H MET A 157 61.479 1.948 7.543 1.00 0.00 H new ATOM 0 HA MET A 157 59.828 4.362 7.620 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.227 2.268 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.029 1.419 7.804 1.00 0.00 H new ATOM 0 HG2 MET A 157 56.878 2.200 7.806 1.00 0.00 H new ATOM 0 HG3 MET A 157 57.554 3.759 8.232 1.00 0.00 H new ATOM 0 HE1 MET A 157 56.779 6.014 5.569 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.087 5.602 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 157 58.424 5.590 6.099 1.00 0.00 H new ATOM 1052 N LYS A 158 60.421 4.251 10.202 1.00 0.00 N ATOM 1053 CA LYS A 158 60.289 4.333 11.654 1.00 0.00 C ATOM 1054 C LYS A 158 59.012 5.077 12.032 1.00 0.00 C ATOM 1055 O LYS A 158 59.047 6.076 12.750 1.00 0.00 O ATOM 1056 CB LYS A 158 61.487 5.065 12.261 1.00 0.00 C ATOM 1057 CG LYS A 158 61.557 6.484 11.696 1.00 0.00 C ATOM 1058 CD LYS A 158 62.969 6.759 11.177 1.00 0.00 C ATOM 1059 CE LYS A 158 63.978 6.539 12.306 1.00 0.00 C ATOM 1060 NZ LYS A 158 63.708 7.506 13.407 1.00 0.00 N ATOM 0 H LYS A 158 61.048 4.942 9.790 1.00 0.00 H new ATOM 0 HA LYS A 158 60.248 3.316 12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.394 5.099 13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.408 4.527 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.833 6.602 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 158 61.295 7.207 12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.195 6.100 10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.039 7.782 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 158 63.906 5.517 12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 158 64.993 6.671 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 64.532 7.550 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 63.529 8.448 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.874 7.195 13.945 1.00 0.00 H new ATOM 1074 N GLY A 159 57.883 4.576 11.540 1.00 0.00 N ATOM 1075 CA GLY A 159 56.594 5.199 11.832 1.00 0.00 C ATOM 1076 C GLY A 159 56.535 6.612 11.263 1.00 0.00 C ATOM 1077 O GLY A 159 56.346 7.584 11.994 1.00 0.00 O ATOM 0 H GLY A 159 57.832 3.750 10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 159 55.790 4.597 11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.435 5.229 12.910 1.00 0.00 H new ATOM 1081 N VAL A 160 56.700 6.715 9.947 1.00 0.00 N ATOM 1082 CA VAL A 160 56.664 8.015 9.284 1.00 0.00 C ATOM 1083 C VAL A 160 55.869 7.930 7.985 1.00 0.00 C ATOM 1084 O VAL A 160 56.427 7.700 6.913 1.00 0.00 O ATOM 1085 CB VAL A 160 58.082 8.495 8.970 1.00 0.00 C ATOM 1086 CG1 VAL A 160 58.083 10.015 8.805 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.016 8.107 10.120 1.00 0.00 C ATOM 0 H VAL A 160 56.858 5.923 9.324 1.00 0.00 H new ATOM 0 HA VAL A 160 56.182 8.723 9.959 1.00 0.00 H new ATOM 0 HB VAL A 160 58.427 8.030 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 160 59.094 10.356 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 160 57.417 10.293 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.739 10.481 9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 160 60.027 8.448 9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.670 8.573 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.016 7.023 10.239 1.00 0.00 H new ATOM 1097 N GLU A 161 54.556 8.118 8.095 1.00 0.00 N ATOM 1098 CA GLU A 161 53.688 8.061 6.921 1.00 0.00 C ATOM 1099 C GLU A 161 54.110 9.107 5.895 1.00 0.00 C ATOM 1100 O GLU A 161 55.057 8.851 5.171 1.00 0.00 O ATOM 1101 CB GLU A 161 52.231 8.310 7.317 1.00 0.00 C ATOM 1102 CG GLU A 161 51.458 6.991 7.280 1.00 0.00 C ATOM 1103 CD GLU A 161 50.004 7.242 7.665 1.00 0.00 C ATOM 1104 OE1 GLU A 161 49.726 8.305 8.195 1.00 0.00 O ATOM 1105 OE2 GLU A 161 49.188 6.367 7.423 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.478 10.150 5.848 1.00 0.00 O ATOM 0 H GLU A 161 54.074 8.309 8.973 1.00 0.00 H new ATOM 0 HA GLU A 161 53.779 7.066 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.184 8.743 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.776 9.029 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 161 51.511 6.554 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.908 6.274 7.966 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.753 -7.301 -0.532 1.00 0.00 CA HETATM 1115 CA CA A 3 66.314 -5.978 2.861 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.952 0.458 2.352 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.085 0.665 0.995 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.082 -0.052 0.905 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.768 1.493 0.006 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.589 2.202 -0.075 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.517 2.216 0.643 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.395 1.182 1.782 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.480 0.035 1.349 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.489 3.391 0.482 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.834 3.908 1.610 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.915 4.963 1.472 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.657 5.488 0.182 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.313 4.968 -0.940 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.229 3.920 -0.790 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.651 6.623 0.045 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.261 7.405 1.293 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.969 7.033 2.580 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.205 5.512 2.719 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.068 6.983 -1.166 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.338 6.392 -2.211 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.061 8.131 -1.254 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.482 9.390 -1.704 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.646 10.507 -1.552 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.116 11.740 -2.019 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.404 10.369 -0.958 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.535 11.452 -0.784 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.977 9.113 -0.505 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.804 7.994 -0.653 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.286 11.908 -2.860 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.232 11.362 -0.155 1.00 0.00 C HETATM 0 H263 EMD A 1 50.606 10.666 -0.713 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.346 11.006 0.869 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.763 12.346 -0.147 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.164 11.522 -2.343 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.145 11.362 -3.793 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.429 12.966 -3.078 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.252 5.001 2.857 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.806 5.311 3.606 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.928 7.550 2.624 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.379 7.383 3.427 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.439 8.463 1.101 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.189 7.285 1.448 1.00 0.00 H new HETATM 0 H9 EMD A 1 59.038 3.491 2.596 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.955 -0.525 0.543 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.302 -0.628 2.196 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.530 0.439 0.999 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.990 1.751 2.619 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.445 1.613 -0.747 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.470 7.018 -0.301 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.999 9.008 -0.036 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.460 9.502 -2.173 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.741 3.515 -1.663 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.111 5.379 -1.929 1.00 0.00 H new