USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.233) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.48 F(o=-2.7!,f=-1.5) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -129:sc= 1.18 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.633 (180deg=-1.6!) USER MOD Single : A 26 SER OG : rot 61:sc= 0.0985 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 21:sc= 0.926 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.047) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= -0.0742 (180deg=-0.476) USER MOD Single : A 59 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-0.5) USER MOD Single : A 63 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.259 -19.109 6.548 1.00 1.00 N ATOM 2 CA MET A 1 46.036 -17.961 6.001 1.00 1.00 C ATOM 3 C MET A 1 45.100 -16.778 5.777 1.00 1.00 C ATOM 4 O MET A 1 44.763 -16.449 4.639 1.00 1.00 O ATOM 5 CB MET A 1 46.686 -18.372 4.679 1.00 1.00 C ATOM 6 CG MET A 1 47.369 -17.158 4.046 1.00 1.00 C ATOM 7 SD MET A 1 48.991 -17.643 3.408 1.00 1.00 S ATOM 8 CE MET A 1 48.402 -18.763 2.115 1.00 1.00 C ATOM 0 H1 MET A 1 45.895 -19.917 6.702 1.00 1.00 H new ATOM 0 H2 MET A 1 44.824 -18.834 7.452 1.00 1.00 H new ATOM 0 H3 MET A 1 44.515 -19.378 5.873 1.00 1.00 H new ATOM 0 HA MET A 1 46.814 -17.672 6.707 1.00 1.00 H new ATOM 0 HB2 MET A 1 47.415 -19.164 4.851 1.00 1.00 H new ATOM 0 HB3 MET A 1 45.933 -18.773 4.001 1.00 1.00 H new ATOM 0 HG2 MET A 1 46.753 -16.760 3.239 1.00 1.00 H new ATOM 0 HG3 MET A 1 47.479 -16.364 4.784 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.204 -18.948 1.400 1.00 1.00 H new ATOM 0 HE2 MET A 1 48.092 -19.706 2.564 1.00 1.00 H new ATOM 0 HE3 MET A 1 47.554 -18.311 1.600 1.00 1.00 H new ATOM 20 N GLU A 2 44.684 -16.143 6.867 1.00 1.00 N ATOM 21 CA GLU A 2 43.787 -14.997 6.777 1.00 1.00 C ATOM 22 C GLU A 2 44.566 -13.693 6.917 1.00 1.00 C ATOM 23 O GLU A 2 44.132 -12.770 7.606 1.00 1.00 O ATOM 24 CB GLU A 2 42.723 -15.078 7.874 1.00 1.00 C ATOM 25 CG GLU A 2 41.780 -16.247 7.583 1.00 1.00 C ATOM 26 CD GLU A 2 40.899 -15.921 6.382 1.00 1.00 C ATOM 27 OE1 GLU A 2 40.733 -14.746 6.097 1.00 1.00 O ATOM 28 OE2 GLU A 2 40.403 -16.849 5.766 1.00 1.00 O ATOM 0 H GLU A 2 44.951 -16.400 7.817 1.00 1.00 H new ATOM 0 HA GLU A 2 43.304 -15.015 5.800 1.00 1.00 H new ATOM 0 HB2 GLU A 2 43.197 -15.212 8.846 1.00 1.00 H new ATOM 0 HB3 GLU A 2 42.160 -14.145 7.920 1.00 1.00 H new ATOM 0 HG2 GLU A 2 42.357 -17.150 7.386 1.00 1.00 H new ATOM 0 HG3 GLU A 2 41.159 -16.450 8.456 1.00 1.00 H new ATOM 35 N GLU A 3 45.720 -13.625 6.261 1.00 1.00 N ATOM 36 CA GLU A 3 46.552 -12.429 6.320 1.00 1.00 C ATOM 37 C GLU A 3 45.750 -11.197 5.912 1.00 1.00 C ATOM 38 O GLU A 3 44.885 -11.269 5.039 1.00 1.00 O ATOM 39 CB GLU A 3 47.758 -12.585 5.391 1.00 1.00 C ATOM 40 CG GLU A 3 48.690 -13.666 5.943 1.00 1.00 C ATOM 41 CD GLU A 3 49.782 -13.981 4.926 1.00 1.00 C ATOM 42 OE1 GLU A 3 50.716 -13.202 4.828 1.00 1.00 O ATOM 43 OE2 GLU A 3 49.668 -14.997 4.260 1.00 1.00 O ATOM 0 H GLU A 3 46.098 -14.378 5.686 1.00 1.00 H new ATOM 0 HA GLU A 3 46.898 -12.300 7.346 1.00 1.00 H new ATOM 0 HB2 GLU A 3 47.426 -12.853 4.388 1.00 1.00 H new ATOM 0 HB3 GLU A 3 48.291 -11.638 5.307 1.00 1.00 H new ATOM 0 HG2 GLU A 3 49.138 -13.329 6.878 1.00 1.00 H new ATOM 0 HG3 GLU A 3 48.121 -14.568 6.169 1.00 1.00 H new ATOM 50 N GLY A 4 46.042 -10.070 6.551 1.00 1.00 N ATOM 51 CA GLY A 4 45.341 -8.828 6.246 1.00 1.00 C ATOM 52 C GLY A 4 45.776 -8.274 4.893 1.00 1.00 C ATOM 53 O GLY A 4 45.024 -7.555 4.234 1.00 1.00 O ATOM 0 H GLY A 4 46.753 -9.990 7.278 1.00 1.00 H new ATOM 0 HA2 GLY A 4 44.265 -9.005 6.242 1.00 1.00 H new ATOM 0 HA3 GLY A 4 45.540 -8.093 7.025 1.00 1.00 H new ATOM 57 N GLY A 5 46.994 -8.615 4.485 1.00 1.00 N ATOM 58 CA GLY A 5 47.518 -8.146 3.206 1.00 1.00 C ATOM 59 C GLY A 5 48.917 -8.697 2.957 1.00 1.00 C ATOM 60 O GLY A 5 49.889 -8.253 3.570 1.00 1.00 O ATOM 0 H GLY A 5 47.632 -9.209 5.015 1.00 1.00 H new ATOM 0 HA2 GLY A 5 46.852 -8.455 2.400 1.00 1.00 H new ATOM 0 HA3 GLY A 5 47.545 -7.056 3.197 1.00 1.00 H new ATOM 64 N ASP A 6 49.014 -9.668 2.054 1.00 1.00 N ATOM 65 CA ASP A 6 50.301 -10.273 1.731 1.00 1.00 C ATOM 66 C ASP A 6 51.287 -9.212 1.252 1.00 1.00 C ATOM 67 O ASP A 6 52.457 -9.504 1.004 1.00 1.00 O ATOM 68 CB ASP A 6 50.121 -11.334 0.645 1.00 1.00 C ATOM 69 CG ASP A 6 50.769 -12.644 1.083 1.00 1.00 C ATOM 70 OD1 ASP A 6 51.863 -12.589 1.620 1.00 1.00 O ATOM 71 OD2 ASP A 6 50.162 -13.681 0.874 1.00 1.00 O ATOM 0 H ASP A 6 48.223 -10.050 1.536 1.00 1.00 H new ATOM 0 HA ASP A 6 50.698 -10.740 2.632 1.00 1.00 H new ATOM 0 HB2 ASP A 6 49.060 -11.491 0.450 1.00 1.00 H new ATOM 0 HB3 ASP A 6 50.569 -10.991 -0.288 1.00 1.00 H new ATOM 76 N PHE A 7 50.805 -7.980 1.122 1.00 1.00 N ATOM 77 CA PHE A 7 51.654 -6.883 0.672 1.00 1.00 C ATOM 78 C PHE A 7 52.821 -6.678 1.631 1.00 1.00 C ATOM 79 O PHE A 7 53.975 -6.589 1.212 1.00 1.00 O ATOM 80 CB PHE A 7 50.835 -5.594 0.579 1.00 1.00 C ATOM 81 CG PHE A 7 51.173 -4.874 -0.705 1.00 1.00 C ATOM 82 CD1 PHE A 7 52.512 -4.660 -1.055 1.00 1.00 C ATOM 83 CD2 PHE A 7 50.149 -4.420 -1.545 1.00 1.00 C ATOM 84 CE1 PHE A 7 52.826 -3.992 -2.244 1.00 1.00 C ATOM 85 CE2 PHE A 7 50.463 -3.752 -2.734 1.00 1.00 C ATOM 86 CZ PHE A 7 51.802 -3.538 -3.084 1.00 1.00 C ATOM 0 H PHE A 7 49.839 -7.718 1.320 1.00 1.00 H new ATOM 0 HA PHE A 7 52.049 -7.135 -0.312 1.00 1.00 H new ATOM 0 HB2 PHE A 7 49.770 -5.824 0.610 1.00 1.00 H new ATOM 0 HB3 PHE A 7 51.047 -4.953 1.435 1.00 1.00 H new ATOM 0 HD1 PHE A 7 53.302 -5.010 -0.407 1.00 1.00 H new ATOM 0 HD2 PHE A 7 49.116 -4.585 -1.275 1.00 1.00 H new ATOM 0 HE1 PHE A 7 53.859 -3.827 -2.514 1.00 1.00 H new ATOM 0 HE2 PHE A 7 49.673 -3.402 -3.382 1.00 1.00 H new ATOM 0 HZ PHE A 7 52.045 -3.023 -4.002 1.00 1.00 H new ATOM 96 N ASP A 8 52.513 -6.605 2.922 1.00 1.00 N ATOM 97 CA ASP A 8 53.546 -6.411 3.934 1.00 1.00 C ATOM 98 C ASP A 8 54.600 -7.509 3.841 1.00 1.00 C ATOM 99 O ASP A 8 54.293 -8.691 3.998 1.00 1.00 O ATOM 100 CB ASP A 8 52.918 -6.420 5.329 1.00 1.00 C ATOM 101 CG ASP A 8 52.040 -5.187 5.513 1.00 1.00 C ATOM 102 OD1 ASP A 8 50.919 -5.205 5.032 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.501 -4.242 6.134 1.00 1.00 O ATOM 0 H ASP A 8 51.565 -6.677 3.290 1.00 1.00 H new ATOM 0 HA ASP A 8 54.025 -5.448 3.758 1.00 1.00 H new ATOM 0 HB2 ASP A 8 52.323 -7.324 5.463 1.00 1.00 H new ATOM 0 HB3 ASP A 8 53.700 -6.437 6.089 1.00 1.00 H new ATOM 108 N ASN A 9 55.842 -7.111 3.586 1.00 1.00 N ATOM 109 CA ASN A 9 56.934 -8.071 3.475 1.00 1.00 C ATOM 110 C ASN A 9 58.277 -7.384 3.700 1.00 1.00 C ATOM 111 O ASN A 9 59.134 -7.899 4.418 1.00 1.00 O ATOM 112 CB ASN A 9 56.919 -8.722 2.089 1.00 1.00 C ATOM 113 CG ASN A 9 58.295 -9.291 1.766 1.00 1.00 C ATOM 114 OD1 ASN A 9 59.271 -8.481 1.458 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 58.488 -10.507 1.795 1.00 1.00 N flip ATOM 0 H ASN A 9 56.116 -6.138 3.453 1.00 1.00 H new ATOM 0 HA ASN A 9 56.797 -8.837 4.238 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.172 -9.515 2.059 1.00 1.00 H new ATOM 0 HB3 ASN A 9 56.634 -7.987 1.336 1.00 1.00 H new ATOM 0 HD21 ASN A 9 57.724 -11.139 2.036 1.00 1.00 H new ATOM 0 HD22 ASN A 9 59.411 -10.882 1.578 1.00 1.00 H new ATOM 122 N TYR A 10 58.452 -6.220 3.084 1.00 1.00 N ATOM 123 CA TYR A 10 59.694 -5.471 3.226 1.00 1.00 C ATOM 124 C TYR A 10 59.638 -4.566 4.453 1.00 1.00 C ATOM 125 O TYR A 10 60.642 -4.369 5.137 1.00 1.00 O ATOM 126 CB TYR A 10 59.939 -4.624 1.976 1.00 1.00 C ATOM 127 CG TYR A 10 60.454 -5.505 0.863 1.00 1.00 C ATOM 128 CD1 TYR A 10 61.818 -5.812 0.788 1.00 1.00 C ATOM 129 CD2 TYR A 10 59.567 -6.013 -0.094 1.00 1.00 C ATOM 130 CE1 TYR A 10 62.294 -6.629 -0.244 1.00 1.00 C ATOM 131 CE2 TYR A 10 60.045 -6.830 -1.126 1.00 1.00 C ATOM 132 CZ TYR A 10 61.409 -7.138 -1.201 1.00 1.00 C ATOM 133 OH TYR A 10 61.879 -7.943 -2.219 1.00 1.00 O ATOM 0 H TYR A 10 57.755 -5.777 2.486 1.00 1.00 H new ATOM 0 HA TYR A 10 60.512 -6.181 3.350 1.00 1.00 H new ATOM 0 HB2 TYR A 10 59.015 -4.135 1.669 1.00 1.00 H new ATOM 0 HB3 TYR A 10 60.660 -3.836 2.193 1.00 1.00 H new ATOM 0 HD1 TYR A 10 62.502 -5.419 1.526 1.00 1.00 H new ATOM 0 HD2 TYR A 10 58.515 -5.775 -0.036 1.00 1.00 H new ATOM 0 HE1 TYR A 10 63.346 -6.867 -0.302 1.00 1.00 H new ATOM 0 HE2 TYR A 10 59.361 -7.223 -1.864 1.00 1.00 H new ATOM 0 HH TYR A 10 61.133 -8.211 -2.795 1.00 1.00 H new ATOM 143 N TYR A 11 58.458 -4.020 4.725 1.00 1.00 N ATOM 144 CA TYR A 11 58.283 -3.137 5.873 1.00 1.00 C ATOM 145 C TYR A 11 59.043 -1.830 5.664 1.00 1.00 C ATOM 146 O TYR A 11 58.440 -0.764 5.537 1.00 1.00 O ATOM 147 CB TYR A 11 58.786 -3.826 7.143 1.00 1.00 C ATOM 148 CG TYR A 11 57.815 -3.573 8.272 1.00 1.00 C ATOM 149 CD1 TYR A 11 57.351 -2.276 8.519 1.00 1.00 C ATOM 150 CD2 TYR A 11 57.381 -4.636 9.073 1.00 1.00 C ATOM 151 CE1 TYR A 11 56.451 -2.042 9.565 1.00 1.00 C ATOM 152 CE2 TYR A 11 56.481 -4.402 10.120 1.00 1.00 C ATOM 153 CZ TYR A 11 56.016 -3.105 10.366 1.00 1.00 C ATOM 154 OH TYR A 11 55.130 -2.875 11.398 1.00 1.00 O ATOM 0 H TYR A 11 57.615 -4.171 4.172 1.00 1.00 H new ATOM 0 HA TYR A 11 57.221 -2.913 5.978 1.00 1.00 H new ATOM 0 HB2 TYR A 11 58.890 -4.897 6.972 1.00 1.00 H new ATOM 0 HB3 TYR A 11 59.774 -3.449 7.407 1.00 1.00 H new ATOM 0 HD1 TYR A 11 57.687 -1.456 7.902 1.00 1.00 H new ATOM 0 HD2 TYR A 11 57.740 -5.637 8.883 1.00 1.00 H new ATOM 0 HE1 TYR A 11 56.092 -1.041 9.754 1.00 1.00 H new ATOM 0 HE2 TYR A 11 56.146 -5.222 10.738 1.00 1.00 H new ATOM 0 HH TYR A 11 54.931 -3.720 11.853 1.00 1.00 H new ATOM 164 N GLY A 12 60.368 -1.921 5.629 1.00 1.00 N ATOM 165 CA GLY A 12 61.199 -0.739 5.435 1.00 1.00 C ATOM 166 C GLY A 12 61.485 -0.516 3.954 1.00 1.00 C ATOM 167 O GLY A 12 62.630 -0.604 3.513 1.00 1.00 O ATOM 0 H GLY A 12 60.886 -2.794 5.732 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.697 0.136 5.849 1.00 1.00 H new ATOM 0 HA3 GLY A 12 62.137 -0.855 5.978 1.00 1.00 H new ATOM 171 N ALA A 13 60.434 -0.228 3.192 1.00 1.00 N ATOM 172 CA ALA A 13 60.579 0.005 1.760 1.00 1.00 C ATOM 173 C ALA A 13 59.777 1.230 1.332 1.00 1.00 C ATOM 174 O ALA A 13 60.203 1.990 0.463 1.00 1.00 O ATOM 175 CB ALA A 13 60.098 -1.220 0.981 1.00 1.00 C ATOM 0 H ALA A 13 59.478 -0.151 3.540 1.00 1.00 H new ATOM 0 HA ALA A 13 61.633 0.182 1.545 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.209 -1.038 -0.088 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.692 -2.088 1.265 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.049 -1.408 1.210 1.00 1.00 H new ATOM 181 N ASP A 14 58.614 1.414 1.949 1.00 1.00 N ATOM 182 CA ASP A 14 57.760 2.551 1.623 1.00 1.00 C ATOM 183 C ASP A 14 58.550 3.854 1.699 1.00 1.00 C ATOM 184 O ASP A 14 58.168 4.857 1.097 1.00 1.00 O ATOM 185 CB ASP A 14 56.579 2.611 2.594 1.00 1.00 C ATOM 186 CG ASP A 14 55.405 3.334 1.942 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.619 4.411 1.411 1.00 1.00 O ATOM 188 OD2 ASP A 14 54.309 2.800 1.985 1.00 1.00 O ATOM 0 H ASP A 14 58.244 0.796 2.671 1.00 1.00 H new ATOM 0 HA ASP A 14 57.389 2.423 0.606 1.00 1.00 H new ATOM 0 HB2 ASP A 14 56.282 1.602 2.881 1.00 1.00 H new ATOM 0 HB3 ASP A 14 56.874 3.128 3.507 1.00 1.00 H new ATOM 193 N ASN A 15 59.652 3.830 2.442 1.00 1.00 N ATOM 194 CA ASN A 15 60.487 5.016 2.589 1.00 1.00 C ATOM 195 C ASN A 15 61.066 5.433 1.240 1.00 1.00 C ATOM 196 O ASN A 15 60.930 6.584 0.825 1.00 1.00 O ATOM 197 CB ASN A 15 61.627 4.733 3.570 1.00 1.00 C ATOM 198 CG ASN A 15 61.299 5.330 4.934 1.00 1.00 C ATOM 199 OD1 ASN A 15 62.134 6.007 5.533 1.00 1.00 O ATOM 200 ND2 ASN A 15 60.125 5.116 5.464 1.00 1.00 N ATOM 0 H ASN A 15 59.985 3.009 2.948 1.00 1.00 H new ATOM 0 HA ASN A 15 59.870 5.828 2.974 1.00 1.00 H new ATOM 0 HB2 ASN A 15 61.781 3.658 3.662 1.00 1.00 H new ATOM 0 HB3 ASN A 15 62.557 5.157 3.192 1.00 1.00 H new ATOM 0 HD21 ASN A 15 59.898 5.510 6.377 1.00 1.00 H new ATOM 0 HD22 ASN A 15 59.435 4.554 4.965 1.00 1.00 H new ATOM 207 N GLN A 16 61.713 4.492 0.562 1.00 1.00 N ATOM 208 CA GLN A 16 62.310 4.773 -0.738 1.00 1.00 C ATOM 209 C GLN A 16 61.348 4.398 -1.862 1.00 1.00 C ATOM 210 O GLN A 16 61.749 3.800 -2.860 1.00 1.00 O ATOM 211 CB GLN A 16 63.614 3.989 -0.896 1.00 1.00 C ATOM 212 CG GLN A 16 64.239 3.755 0.481 1.00 1.00 C ATOM 213 CD GLN A 16 65.678 3.275 0.325 1.00 1.00 C ATOM 214 OE1 GLN A 16 65.913 2.105 0.022 1.00 1.00 O ATOM 215 NE2 GLN A 16 66.660 4.112 0.516 1.00 1.00 N ATOM 0 H GLN A 16 61.837 3.534 0.888 1.00 1.00 H new ATOM 0 HA GLN A 16 62.520 5.841 -0.796 1.00 1.00 H new ATOM 0 HB2 GLN A 16 63.420 3.035 -1.386 1.00 1.00 H new ATOM 0 HB3 GLN A 16 64.307 4.539 -1.533 1.00 1.00 H new ATOM 0 HG2 GLN A 16 64.215 4.677 1.062 1.00 1.00 H new ATOM 0 HG3 GLN A 16 63.658 3.016 1.033 1.00 1.00 H new ATOM 0 HE21 GLN A 16 66.463 5.081 0.767 1.00 1.00 H new ATOM 0 HE22 GLN A 16 67.625 3.798 0.414 1.00 1.00 H new ATOM 224 N SER A 17 60.079 4.751 -1.690 1.00 1.00 N ATOM 225 CA SER A 17 59.069 4.446 -2.697 1.00 1.00 C ATOM 226 C SER A 17 58.051 5.578 -2.795 1.00 1.00 C ATOM 227 O SER A 17 58.305 6.694 -2.344 1.00 1.00 O ATOM 228 CB SER A 17 58.352 3.144 -2.338 1.00 1.00 C ATOM 229 OG SER A 17 57.973 2.473 -3.533 1.00 1.00 O ATOM 0 H SER A 17 59.727 5.245 -0.870 1.00 1.00 H new ATOM 0 HA SER A 17 59.566 4.334 -3.661 1.00 1.00 H new ATOM 0 HB2 SER A 17 59.006 2.508 -1.741 1.00 1.00 H new ATOM 0 HB3 SER A 17 57.472 3.355 -1.731 1.00 1.00 H new ATOM 0 HG SER A 17 57.024 2.235 -3.487 1.00 1.00 H new ATOM 235 N GLU A 18 56.900 5.282 -3.389 1.00 1.00 N ATOM 236 CA GLU A 18 55.850 6.283 -3.543 1.00 1.00 C ATOM 237 C GLU A 18 55.459 6.861 -2.186 1.00 1.00 C ATOM 238 O GLU A 18 54.476 6.436 -1.580 1.00 1.00 O ATOM 239 CB GLU A 18 54.623 5.655 -4.205 1.00 1.00 C ATOM 240 CG GLU A 18 54.277 4.342 -3.500 1.00 1.00 C ATOM 241 CD GLU A 18 54.611 3.161 -4.404 1.00 1.00 C ATOM 242 OE1 GLU A 18 53.845 2.907 -5.320 1.00 1.00 O ATOM 243 OE2 GLU A 18 55.627 2.528 -4.169 1.00 1.00 O ATOM 0 H GLU A 18 56.671 4.364 -3.769 1.00 1.00 H new ATOM 0 HA GLU A 18 56.230 7.088 -4.173 1.00 1.00 H new ATOM 0 HB2 GLU A 18 53.778 6.341 -4.153 1.00 1.00 H new ATOM 0 HB3 GLU A 18 54.821 5.472 -5.261 1.00 1.00 H new ATOM 0 HG2 GLU A 18 54.833 4.264 -2.566 1.00 1.00 H new ATOM 0 HG3 GLU A 18 53.218 4.326 -3.243 1.00 1.00 H new ATOM 250 N CYS A 19 56.235 7.834 -1.718 1.00 1.00 N ATOM 251 CA CYS A 19 55.959 8.464 -0.432 1.00 1.00 C ATOM 252 C CYS A 19 56.150 9.975 -0.526 1.00 1.00 C ATOM 253 O CYS A 19 56.569 10.618 0.437 1.00 1.00 O ATOM 254 CB CYS A 19 56.891 7.894 0.639 1.00 1.00 C ATOM 255 SG CYS A 19 56.011 7.807 2.219 1.00 1.00 S ATOM 0 H CYS A 19 57.053 8.201 -2.205 1.00 1.00 H new ATOM 0 HA CYS A 19 54.924 8.256 -0.159 1.00 1.00 H new ATOM 0 HB2 CYS A 19 57.235 6.902 0.347 1.00 1.00 H new ATOM 0 HB3 CYS A 19 57.776 8.522 0.738 1.00 1.00 H new ATOM 0 HG CYS A 19 56.801 7.321 3.130 1.00 1.00 H new ATOM 261 N GLU A 20 55.843 10.533 -1.691 1.00 1.00 N ATOM 262 CA GLU A 20 55.984 11.969 -1.900 1.00 1.00 C ATOM 263 C GLU A 20 54.842 12.502 -2.758 1.00 1.00 C ATOM 264 O GLU A 20 54.361 13.615 -2.546 1.00 1.00 O ATOM 265 CB GLU A 20 57.320 12.267 -2.583 1.00 1.00 C ATOM 266 CG GLU A 20 58.021 10.953 -2.931 1.00 1.00 C ATOM 267 CD GLU A 20 59.314 11.234 -3.688 1.00 1.00 C ATOM 268 OE1 GLU A 20 59.364 12.236 -4.384 1.00 1.00 O ATOM 269 OE2 GLU A 20 60.237 10.447 -3.560 1.00 1.00 O ATOM 0 H GLU A 20 55.497 10.017 -2.500 1.00 1.00 H new ATOM 0 HA GLU A 20 55.953 12.463 -0.929 1.00 1.00 H new ATOM 0 HB2 GLU A 20 57.155 12.854 -3.487 1.00 1.00 H new ATOM 0 HB3 GLU A 20 57.951 12.865 -1.925 1.00 1.00 H new ATOM 0 HG2 GLU A 20 58.238 10.395 -2.020 1.00 1.00 H new ATOM 0 HG3 GLU A 20 57.363 10.330 -3.537 1.00 1.00 H new ATOM 276 N TYR A 21 54.410 11.700 -3.726 1.00 1.00 N ATOM 277 CA TYR A 21 53.321 12.102 -4.607 1.00 1.00 C ATOM 278 C TYR A 21 51.973 11.832 -3.946 1.00 1.00 C ATOM 279 O TYR A 21 51.107 12.706 -3.896 1.00 1.00 O ATOM 280 CB TYR A 21 53.407 11.335 -5.928 1.00 1.00 C ATOM 281 CG TYR A 21 54.694 11.686 -6.633 1.00 1.00 C ATOM 282 CD1 TYR A 21 55.900 11.113 -6.215 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.681 12.584 -7.707 1.00 1.00 C ATOM 284 CE1 TYR A 21 57.094 11.438 -6.869 1.00 1.00 C ATOM 285 CE2 TYR A 21 55.875 12.909 -8.362 1.00 1.00 C ATOM 286 CZ TYR A 21 57.082 12.336 -7.943 1.00 1.00 C ATOM 287 OH TYR A 21 58.258 12.657 -8.589 1.00 1.00 O ATOM 0 H TYR A 21 54.794 10.775 -3.919 1.00 1.00 H new ATOM 0 HA TYR A 21 53.411 13.171 -4.802 1.00 1.00 H new ATOM 0 HB2 TYR A 21 53.364 10.262 -5.741 1.00 1.00 H new ATOM 0 HB3 TYR A 21 52.555 11.583 -6.560 1.00 1.00 H new ATOM 0 HD1 TYR A 21 55.910 10.419 -5.387 1.00 1.00 H new ATOM 0 HD2 TYR A 21 53.750 13.026 -8.030 1.00 1.00 H new ATOM 0 HE1 TYR A 21 58.025 10.996 -6.545 1.00 1.00 H new ATOM 0 HE2 TYR A 21 55.865 13.602 -9.191 1.00 1.00 H new ATOM 0 HH TYR A 21 58.072 13.292 -9.311 1.00 1.00 H new ATOM 297 N THR A 22 51.805 10.615 -3.437 1.00 1.00 N ATOM 298 CA THR A 22 50.560 10.236 -2.779 1.00 1.00 C ATOM 299 C THR A 22 50.125 11.315 -1.793 1.00 1.00 C ATOM 300 O THR A 22 48.932 11.543 -1.592 1.00 1.00 O ATOM 301 CB THR A 22 50.746 8.913 -2.036 1.00 1.00 C ATOM 302 OG1 THR A 22 51.319 9.165 -0.760 1.00 1.00 O ATOM 303 CG2 THR A 22 51.670 7.999 -2.841 1.00 1.00 C ATOM 0 H THR A 22 52.511 9.879 -3.467 1.00 1.00 H new ATOM 0 HA THR A 22 49.789 10.122 -3.541 1.00 1.00 H new ATOM 0 HB THR A 22 49.778 8.427 -1.911 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.437 8.318 -0.282 1.00 1.00 H new ATOM 0 HG21 THR A 22 51.802 7.056 -2.310 1.00 1.00 H new ATOM 0 HG22 THR A 22 51.229 7.806 -3.819 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.639 8.482 -2.968 1.00 1.00 H new ATOM 311 N ASP A 23 51.104 11.971 -1.179 1.00 1.00 N ATOM 312 CA ASP A 23 50.819 13.025 -0.211 1.00 1.00 C ATOM 313 C ASP A 23 49.650 13.887 -0.674 1.00 1.00 C ATOM 314 O ASP A 23 48.989 14.538 0.136 1.00 1.00 O ATOM 315 CB ASP A 23 52.057 13.903 -0.021 1.00 1.00 C ATOM 316 CG ASP A 23 52.723 13.584 1.315 1.00 1.00 C ATOM 317 OD1 ASP A 23 52.138 13.904 2.337 1.00 1.00 O ATOM 318 OD2 ASP A 23 53.808 13.026 1.294 1.00 1.00 O ATOM 0 H ASP A 23 52.097 11.793 -1.333 1.00 1.00 H new ATOM 0 HA ASP A 23 50.552 12.556 0.736 1.00 1.00 H new ATOM 0 HB2 ASP A 23 52.760 13.735 -0.837 1.00 1.00 H new ATOM 0 HB3 ASP A 23 51.775 14.955 -0.054 1.00 1.00 H new ATOM 323 N TRP A 24 49.396 13.889 -1.980 1.00 1.00 N ATOM 324 CA TRP A 24 48.300 14.679 -2.530 1.00 1.00 C ATOM 325 C TRP A 24 47.581 13.913 -3.638 1.00 1.00 C ATOM 326 O TRP A 24 46.473 13.413 -3.438 1.00 1.00 O ATOM 327 CB TRP A 24 48.835 16.004 -3.080 1.00 1.00 C ATOM 328 CG TRP A 24 50.056 15.751 -3.904 1.00 1.00 C ATOM 329 CD1 TRP A 24 51.241 15.307 -3.424 1.00 1.00 C ATOM 330 CD2 TRP A 24 50.233 15.919 -5.341 1.00 1.00 C ATOM 331 NE1 TRP A 24 52.133 15.190 -4.476 1.00 1.00 N ATOM 332 CE2 TRP A 24 51.559 15.556 -5.676 1.00 1.00 C ATOM 333 CE3 TRP A 24 49.381 16.345 -6.374 1.00 1.00 C ATOM 334 CZ2 TRP A 24 52.023 15.615 -6.992 1.00 1.00 C ATOM 335 CZ3 TRP A 24 49.844 16.406 -7.699 1.00 1.00 C ATOM 336 CH2 TRP A 24 51.163 16.041 -8.007 1.00 1.00 C ATOM 0 H TRP A 24 49.928 13.359 -2.670 1.00 1.00 H new ATOM 0 HA TRP A 24 47.588 14.880 -1.730 1.00 1.00 H new ATOM 0 HB2 TRP A 24 48.071 16.493 -3.685 1.00 1.00 H new ATOM 0 HB3 TRP A 24 49.072 16.680 -2.259 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.455 15.081 -2.390 1.00 1.00 H new ATOM 0 HE1 TRP A 24 53.097 14.872 -4.376 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.363 16.627 -6.148 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 53.040 15.333 -7.223 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 49.181 16.736 -8.485 1.00 1.00 H new ATOM 0 HH2 TRP A 24 51.513 16.089 -9.028 1.00 1.00 H new ATOM 347 N LYS A 25 48.216 13.824 -4.804 1.00 1.00 N ATOM 348 CA LYS A 25 47.628 13.119 -5.937 1.00 1.00 C ATOM 349 C LYS A 25 46.131 13.403 -6.034 1.00 1.00 C ATOM 350 O LYS A 25 45.318 12.740 -5.389 1.00 1.00 O ATOM 351 CB LYS A 25 47.861 11.613 -5.794 1.00 1.00 C ATOM 352 CG LYS A 25 48.802 11.137 -6.902 1.00 1.00 C ATOM 353 CD LYS A 25 49.158 9.666 -6.680 1.00 1.00 C ATOM 354 CE LYS A 25 50.670 9.530 -6.498 1.00 1.00 C ATOM 355 NZ LYS A 25 51.014 8.099 -6.259 1.00 1.00 N ATOM 0 H LYS A 25 49.134 14.230 -4.988 1.00 1.00 H new ATOM 0 HA LYS A 25 48.108 13.474 -6.849 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.290 11.391 -4.817 1.00 1.00 H new ATOM 0 HB3 LYS A 25 46.912 11.080 -5.854 1.00 1.00 H new ATOM 0 HG2 LYS A 25 48.327 11.263 -7.875 1.00 1.00 H new ATOM 0 HG3 LYS A 25 49.708 11.743 -6.908 1.00 1.00 H new ATOM 0 HD2 LYS A 25 48.639 9.284 -5.801 1.00 1.00 H new ATOM 0 HD3 LYS A 25 48.828 9.069 -7.530 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.188 9.897 -7.384 1.00 1.00 H new ATOM 0 HE3 LYS A 25 51.003 10.140 -5.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.926 8.039 -5.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.274 7.657 -5.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 51.082 7.601 -7.170 1.00 1.00 H new ATOM 369 N SER A 26 45.775 14.396 -6.843 1.00 1.00 N ATOM 370 CA SER A 26 44.374 14.760 -7.018 1.00 1.00 C ATOM 371 C SER A 26 43.759 13.981 -8.175 1.00 1.00 C ATOM 372 O SER A 26 43.666 14.484 -9.295 1.00 1.00 O ATOM 373 CB SER A 26 44.255 16.261 -7.289 1.00 1.00 C ATOM 374 OG SER A 26 45.473 16.734 -7.849 1.00 1.00 O ATOM 0 H SER A 26 46.432 14.959 -7.384 1.00 1.00 H new ATOM 0 HA SER A 26 43.836 14.513 -6.103 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.428 16.455 -7.972 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.036 16.793 -6.363 1.00 1.00 H new ATOM 0 HG SER A 26 45.643 16.274 -8.697 1.00 1.00 H new ATOM 380 N SER A 27 43.342 12.750 -7.896 1.00 1.00 N ATOM 381 CA SER A 27 42.737 11.908 -8.922 1.00 1.00 C ATOM 382 C SER A 27 41.749 12.711 -9.763 1.00 1.00 C ATOM 383 O SER A 27 42.008 13.001 -10.931 1.00 1.00 O ATOM 384 CB SER A 27 42.015 10.729 -8.270 1.00 1.00 C ATOM 385 OG SER A 27 41.560 9.839 -9.281 1.00 1.00 O ATOM 0 H SER A 27 43.411 12.316 -6.976 1.00 1.00 H new ATOM 0 HA SER A 27 43.529 11.535 -9.572 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.687 10.209 -7.587 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.172 11.086 -7.678 1.00 1.00 H new ATOM 0 HG SER A 27 41.098 9.081 -8.866 1.00 1.00 H new ATOM 391 N GLY A 28 40.616 13.063 -9.160 1.00 1.00 N ATOM 392 CA GLY A 28 39.592 13.831 -9.860 1.00 1.00 C ATOM 393 C GLY A 28 39.527 15.262 -9.336 1.00 1.00 C ATOM 394 O GLY A 28 38.763 16.081 -9.845 1.00 1.00 O ATOM 0 H GLY A 28 40.385 12.830 -8.194 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.807 13.841 -10.929 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.622 13.350 -9.734 1.00 1.00 H new ATOM 398 N ALA A 29 40.332 15.549 -8.314 1.00 1.00 N ATOM 399 CA ALA A 29 40.365 16.884 -7.718 1.00 1.00 C ATOM 400 C ALA A 29 39.240 17.049 -6.698 1.00 1.00 C ATOM 401 O ALA A 29 38.497 18.030 -6.728 1.00 1.00 O ATOM 402 CB ALA A 29 40.244 17.957 -8.806 1.00 1.00 C ATOM 0 H ALA A 29 40.968 14.878 -7.883 1.00 1.00 H new ATOM 0 HA ALA A 29 41.320 17.003 -7.206 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.270 18.945 -8.347 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.074 17.860 -9.506 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.302 17.830 -9.340 1.00 1.00 H new ATOM 408 N LEU A 30 39.131 16.085 -5.789 1.00 1.00 N ATOM 409 CA LEU A 30 38.104 16.136 -4.754 1.00 1.00 C ATOM 410 C LEU A 30 38.670 15.643 -3.427 1.00 1.00 C ATOM 411 O LEU A 30 37.939 15.136 -2.578 1.00 1.00 O ATOM 412 CB LEU A 30 36.892 15.281 -5.147 1.00 1.00 C ATOM 413 CG LEU A 30 37.335 13.845 -5.468 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.098 12.957 -5.612 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.134 13.808 -6.777 1.00 1.00 C ATOM 0 H LEU A 30 39.736 15.265 -5.748 1.00 1.00 H new ATOM 0 HA LEU A 30 37.781 17.172 -4.646 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.166 15.272 -4.334 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.395 15.718 -6.013 1.00 1.00 H new ATOM 0 HG LEU A 30 37.967 13.483 -4.657 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.407 11.937 -5.840 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.533 12.965 -4.680 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.471 13.335 -6.419 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.439 12.783 -6.988 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.513 14.177 -7.593 1.00 1.00 H new ATOM 0 HD23 LEU A 30 39.019 14.438 -6.681 1.00 1.00 H new ATOM 427 N ILE A 31 39.979 15.795 -3.261 1.00 1.00 N ATOM 428 CA ILE A 31 40.641 15.363 -2.037 1.00 1.00 C ATOM 429 C ILE A 31 40.355 16.317 -0.872 1.00 1.00 C ATOM 430 O ILE A 31 40.247 15.877 0.271 1.00 1.00 O ATOM 431 CB ILE A 31 42.153 15.264 -2.258 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.442 14.753 -3.676 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.754 14.298 -1.235 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.711 13.426 -3.922 1.00 1.00 C ATOM 0 H ILE A 31 40.600 16.212 -3.955 1.00 1.00 H new ATOM 0 HA ILE A 31 40.243 14.382 -1.779 1.00 1.00 H new ATOM 0 HB ILE A 31 42.599 16.251 -2.136 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.123 15.494 -4.409 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.515 14.615 -3.809 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.830 14.226 -1.391 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.557 14.666 -0.228 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.303 13.313 -1.356 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.925 13.075 -4.931 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.051 12.684 -3.200 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.637 13.576 -3.810 1.00 1.00 H new ATOM 446 N PRO A 32 40.230 17.602 -1.124 1.00 1.00 N ATOM 447 CA PRO A 32 39.956 18.591 -0.052 1.00 1.00 C ATOM 448 C PRO A 32 38.467 18.677 0.274 1.00 1.00 C ATOM 449 O PRO A 32 37.977 19.715 0.721 1.00 1.00 O ATOM 450 CB PRO A 32 40.478 19.909 -0.627 1.00 1.00 C ATOM 451 CG PRO A 32 40.510 19.744 -2.117 1.00 1.00 C ATOM 452 CD PRO A 32 40.332 18.254 -2.437 1.00 1.00 C ATOM 0 HA PRO A 32 40.435 18.323 0.890 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.831 20.739 -0.343 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.472 20.133 -0.241 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.717 20.330 -2.582 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.455 20.109 -2.520 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.438 18.081 -3.036 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.177 17.867 -3.007 1.00 1.00 H new ATOM 460 N ALA A 33 37.759 17.574 0.049 1.00 1.00 N ATOM 461 CA ALA A 33 36.327 17.516 0.323 1.00 1.00 C ATOM 462 C ALA A 33 36.009 16.314 1.208 1.00 1.00 C ATOM 463 O ALA A 33 35.614 16.469 2.363 1.00 1.00 O ATOM 464 CB ALA A 33 35.547 17.411 -0.989 1.00 1.00 C ATOM 0 H ALA A 33 38.153 16.709 -0.322 1.00 1.00 H new ATOM 0 HA ALA A 33 36.033 18.428 0.843 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.479 17.368 -0.775 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.758 18.282 -1.609 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.847 16.507 -1.519 1.00 1.00 H new ATOM 470 N ILE A 34 36.192 15.117 0.661 1.00 1.00 N ATOM 471 CA ILE A 34 35.925 13.897 1.420 1.00 1.00 C ATOM 472 C ILE A 34 36.927 13.763 2.562 1.00 1.00 C ATOM 473 O ILE A 34 36.551 13.508 3.706 1.00 1.00 O ATOM 474 CB ILE A 34 36.015 12.652 0.524 1.00 1.00 C ATOM 475 CG1 ILE A 34 36.372 13.044 -0.917 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.674 11.911 0.534 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.260 13.905 -1.527 1.00 1.00 C ATOM 0 H ILE A 34 36.520 14.964 -0.293 1.00 1.00 H new ATOM 0 HA ILE A 34 34.913 13.968 1.819 1.00 1.00 H new ATOM 0 HB ILE A 34 36.798 12.002 0.914 1.00 1.00 H new ATOM 0 HG12 ILE A 34 37.314 13.593 -0.929 1.00 1.00 H new ATOM 0 HG13 ILE A 34 36.518 12.147 -1.519 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.741 11.029 -0.102 1.00 1.00 H new ATOM 0 HG22 ILE A 34 34.434 11.606 1.553 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.891 12.570 0.159 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.528 14.175 -2.549 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.326 13.343 -1.533 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.134 14.811 -0.934 1.00 1.00 H new ATOM 489 N TYR A 35 38.205 13.937 2.242 1.00 1.00 N ATOM 490 CA TYR A 35 39.257 13.834 3.245 1.00 1.00 C ATOM 491 C TYR A 35 39.169 14.992 4.235 1.00 1.00 C ATOM 492 O TYR A 35 39.691 14.912 5.347 1.00 1.00 O ATOM 493 CB TYR A 35 40.628 13.846 2.565 1.00 1.00 C ATOM 494 CG TYR A 35 41.666 13.291 3.510 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.702 11.919 3.785 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.596 14.149 4.111 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.666 11.404 4.661 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.561 13.634 4.985 1.00 1.00 C ATOM 499 CZ TYR A 35 43.596 12.262 5.260 1.00 1.00 C ATOM 500 OH TYR A 35 44.547 11.755 6.123 1.00 1.00 O ATOM 0 H TYR A 35 38.536 14.149 1.301 1.00 1.00 H new ATOM 0 HA TYR A 35 39.127 12.897 3.786 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.598 13.251 1.652 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.892 14.863 2.275 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.986 11.257 3.321 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.569 15.208 3.900 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.692 10.346 4.874 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.279 14.296 5.447 1.00 1.00 H new ATOM 0 HH TYR A 35 45.114 12.484 6.450 1.00 1.00 H new ATOM 510 N MET A 36 38.507 16.067 3.822 1.00 1.00 N ATOM 511 CA MET A 36 38.357 17.237 4.681 1.00 1.00 C ATOM 512 C MET A 36 37.112 17.107 5.552 1.00 1.00 C ATOM 513 O MET A 36 37.200 17.107 6.780 1.00 1.00 O ATOM 514 CB MET A 36 38.254 18.502 3.827 1.00 1.00 C ATOM 515 CG MET A 36 38.098 19.722 4.736 1.00 1.00 C ATOM 516 SD MET A 36 38.729 21.191 3.888 1.00 1.00 S ATOM 517 CE MET A 36 40.467 20.995 4.356 1.00 1.00 C ATOM 0 H MET A 36 38.069 16.153 2.905 1.00 1.00 H new ATOM 0 HA MET A 36 39.233 17.304 5.327 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.145 18.609 3.208 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.402 18.428 3.151 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.049 19.862 4.997 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.641 19.566 5.668 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.052 21.810 3.931 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.555 21.012 5.442 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.841 20.044 3.977 1.00 1.00 H new ATOM 527 N LEU A 37 35.955 16.998 4.909 1.00 1.00 N ATOM 528 CA LEU A 37 34.697 16.868 5.637 1.00 1.00 C ATOM 529 C LEU A 37 34.594 15.493 6.291 1.00 1.00 C ATOM 530 O LEU A 37 33.527 14.879 6.300 1.00 1.00 O ATOM 531 CB LEU A 37 33.518 17.071 4.684 1.00 1.00 C ATOM 532 CG LEU A 37 33.693 18.387 3.921 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.524 18.575 2.954 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.726 19.554 4.912 1.00 1.00 C ATOM 0 H LEU A 37 35.861 16.997 3.893 1.00 1.00 H new ATOM 0 HA LEU A 37 34.670 17.630 6.415 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.457 16.238 3.983 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.583 17.086 5.244 1.00 1.00 H new ATOM 0 HG LEU A 37 34.628 18.359 3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.648 19.512 2.411 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.500 17.746 2.247 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.589 18.602 3.514 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.851 20.490 4.368 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.792 19.582 5.473 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.559 19.422 5.602 1.00 1.00 H new ATOM 546 N VAL A 38 35.709 15.018 6.836 1.00 1.00 N ATOM 547 CA VAL A 38 35.732 13.715 7.489 1.00 1.00 C ATOM 548 C VAL A 38 36.617 13.755 8.731 1.00 1.00 C ATOM 549 O VAL A 38 36.444 12.959 9.655 1.00 1.00 O ATOM 550 CB VAL A 38 36.256 12.653 6.521 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.708 11.422 7.308 1.00 1.00 C ATOM 552 CG2 VAL A 38 35.142 12.255 5.551 1.00 1.00 C ATOM 0 H VAL A 38 36.602 15.511 6.839 1.00 1.00 H new ATOM 0 HA VAL A 38 34.715 13.462 7.788 1.00 1.00 H new ATOM 0 HB VAL A 38 37.100 13.057 5.962 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.081 10.666 6.618 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.501 11.704 8.001 1.00 1.00 H new ATOM 0 HG13 VAL A 38 35.864 11.018 7.867 1.00 1.00 H new ATOM 0 HG21 VAL A 38 35.514 11.498 4.860 1.00 1.00 H new ATOM 0 HG22 VAL A 38 34.299 11.852 6.111 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.819 13.131 4.989 1.00 1.00 H new ATOM 562 N PHE A 39 37.563 14.688 8.746 1.00 1.00 N ATOM 563 CA PHE A 39 38.470 14.823 9.880 1.00 1.00 C ATOM 564 C PHE A 39 37.884 15.769 10.923 1.00 1.00 C ATOM 565 O PHE A 39 38.022 15.544 12.126 1.00 1.00 O ATOM 566 CB PHE A 39 39.822 15.359 9.405 1.00 1.00 C ATOM 567 CG PHE A 39 40.754 15.492 10.585 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.362 14.354 11.129 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.011 16.753 11.135 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.227 14.478 12.223 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.876 16.877 12.229 1.00 1.00 C ATOM 572 CZ PHE A 39 42.484 15.740 12.773 1.00 1.00 C ATOM 0 H PHE A 39 37.721 15.357 7.992 1.00 1.00 H new ATOM 0 HA PHE A 39 38.607 13.841 10.332 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.252 14.686 8.663 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.692 16.327 8.920 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.164 13.381 10.705 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.542 17.631 10.715 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.696 13.600 12.643 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.074 17.850 12.653 1.00 1.00 H new ATOM 0 HZ PHE A 39 43.151 15.836 13.617 1.00 1.00 H new ATOM 582 N LEU A 40 37.230 16.828 10.455 1.00 1.00 N ATOM 583 CA LEU A 40 36.626 17.802 11.355 1.00 1.00 C ATOM 584 C LEU A 40 35.116 17.604 11.426 1.00 1.00 C ATOM 585 O LEU A 40 34.421 18.308 12.159 1.00 1.00 O ATOM 586 CB LEU A 40 36.932 19.221 10.870 1.00 1.00 C ATOM 587 CG LEU A 40 36.338 19.423 9.476 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.122 20.347 9.568 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.390 20.056 8.561 1.00 1.00 C ATOM 0 H LEU A 40 37.106 17.032 9.463 1.00 1.00 H new ATOM 0 HA LEU A 40 37.047 17.658 12.350 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.516 19.951 11.564 1.00 1.00 H new ATOM 0 HB3 LEU A 40 38.010 19.384 10.845 1.00 1.00 H new ATOM 0 HG LEU A 40 36.032 18.459 9.068 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.698 20.491 8.574 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.373 19.898 10.220 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.427 21.311 9.975 1.00 1.00 H new ATOM 0 HD21 LEU A 40 36.968 20.201 7.567 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.695 21.020 8.969 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.257 19.399 8.495 1.00 1.00 H new ATOM 601 N LEU A 41 34.613 16.641 10.661 1.00 1.00 N ATOM 602 CA LEU A 41 33.183 16.358 10.645 1.00 1.00 C ATOM 603 C LEU A 41 32.932 14.858 10.535 1.00 1.00 C ATOM 604 O LEU A 41 31.821 14.425 10.228 1.00 1.00 O ATOM 605 CB LEU A 41 32.522 17.075 9.466 1.00 1.00 C ATOM 606 CG LEU A 41 31.613 18.190 9.988 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.119 19.037 8.814 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.413 17.574 10.712 1.00 1.00 C ATOM 0 H LEU A 41 35.171 16.047 10.048 1.00 1.00 H new ATOM 0 HA LEU A 41 32.752 16.718 11.579 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.284 17.492 8.807 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.942 16.366 8.875 1.00 1.00 H new ATOM 0 HG LEU A 41 32.172 18.819 10.681 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.471 19.831 9.185 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.973 19.476 8.298 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.560 18.408 8.121 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.766 18.368 11.084 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.854 16.945 10.020 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.764 16.970 11.549 1.00 1.00 H new ATOM 620 N GLY A 42 33.970 14.068 10.789 1.00 1.00 N ATOM 621 CA GLY A 42 33.850 12.618 10.714 1.00 1.00 C ATOM 622 C GLY A 42 34.692 11.945 11.793 1.00 1.00 C ATOM 623 O GLY A 42 34.922 10.737 11.751 1.00 1.00 O ATOM 0 H GLY A 42 34.897 14.405 11.047 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.805 12.329 10.830 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.169 12.273 9.730 1.00 1.00 H new ATOM 627 N THR A 43 35.148 12.736 12.758 1.00 1.00 N ATOM 628 CA THR A 43 35.965 12.205 13.845 1.00 1.00 C ATOM 629 C THR A 43 35.917 13.135 15.053 1.00 1.00 C ATOM 630 O THR A 43 35.799 12.684 16.192 1.00 1.00 O ATOM 631 CB THR A 43 37.413 12.043 13.379 1.00 1.00 C ATOM 632 OG1 THR A 43 37.530 10.858 12.605 1.00 1.00 O ATOM 633 CG2 THR A 43 38.335 11.955 14.596 1.00 1.00 C ATOM 0 H THR A 43 34.968 13.739 12.811 1.00 1.00 H new ATOM 0 HA THR A 43 35.567 11.232 14.133 1.00 1.00 H new ATOM 0 HB THR A 43 37.699 12.902 12.772 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.647 10.598 12.269 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.367 11.840 14.263 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.244 12.866 15.188 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.052 11.097 15.205 1.00 1.00 H new ATOM 641 N THR A 44 36.009 14.436 14.796 1.00 1.00 N ATOM 642 CA THR A 44 35.975 15.421 15.872 1.00 1.00 C ATOM 643 C THR A 44 34.554 15.592 16.395 1.00 1.00 C ATOM 644 O THR A 44 34.348 15.985 17.544 1.00 1.00 O ATOM 645 CB THR A 44 36.501 16.766 15.364 1.00 1.00 C ATOM 646 OG1 THR A 44 37.920 16.733 15.323 1.00 1.00 O ATOM 647 CG2 THR A 44 36.041 17.883 16.302 1.00 1.00 C ATOM 0 H THR A 44 36.107 14.831 13.861 1.00 1.00 H new ATOM 0 HA THR A 44 36.609 15.067 16.685 1.00 1.00 H new ATOM 0 HB THR A 44 36.113 16.953 14.363 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.258 17.593 14.996 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.416 18.840 15.939 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.952 17.908 16.332 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.427 17.698 17.304 1.00 1.00 H new ATOM 655 N GLY A 45 33.575 15.295 15.547 1.00 1.00 N ATOM 656 CA GLY A 45 32.176 15.420 15.935 1.00 1.00 C ATOM 657 C GLY A 45 31.934 14.803 17.307 1.00 1.00 C ATOM 658 O GLY A 45 31.138 15.311 18.096 1.00 1.00 O ATOM 0 H GLY A 45 33.724 14.968 14.592 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.891 16.472 15.950 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.544 14.929 15.195 1.00 1.00 H new ATOM 662 N ASN A 46 32.628 13.704 17.587 1.00 1.00 N ATOM 663 CA ASN A 46 32.482 13.026 18.869 1.00 1.00 C ATOM 664 C ASN A 46 33.842 12.587 19.402 1.00 1.00 C ATOM 665 O ASN A 46 33.930 11.920 20.433 1.00 1.00 O ATOM 666 CB ASN A 46 31.574 11.804 18.713 1.00 1.00 C ATOM 667 CG ASN A 46 32.418 10.548 18.521 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.405 9.655 19.368 1.00 1.00 O ATOM 669 ND2 ASN A 46 33.154 10.426 17.451 1.00 1.00 N ATOM 0 H ASN A 46 33.292 13.267 16.948 1.00 1.00 H new ATOM 0 HA ASN A 46 32.035 13.723 19.578 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.941 11.696 19.594 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.910 11.940 17.859 1.00 1.00 H new ATOM 0 HD21 ASN A 46 33.721 9.589 17.315 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.163 11.168 16.751 1.00 1.00 H new ATOM 676 N GLY A 47 34.899 12.965 18.692 1.00 1.00 N ATOM 677 CA GLY A 47 36.251 12.604 19.103 1.00 1.00 C ATOM 678 C GLY A 47 36.723 13.486 20.254 1.00 1.00 C ATOM 679 O GLY A 47 37.923 13.668 20.457 1.00 1.00 O ATOM 0 H GLY A 47 34.847 13.517 17.836 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.276 11.558 19.407 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.932 12.706 18.258 1.00 1.00 H new ATOM 683 N LEU A 48 35.771 14.028 21.006 1.00 1.00 N ATOM 684 CA LEU A 48 36.100 14.889 22.136 1.00 1.00 C ATOM 685 C LEU A 48 35.961 14.124 23.450 1.00 1.00 C ATOM 686 O LEU A 48 36.280 14.646 24.519 1.00 1.00 O ATOM 687 CB LEU A 48 35.174 16.107 22.152 1.00 1.00 C ATOM 688 CG LEU A 48 35.140 16.739 20.760 1.00 1.00 C ATOM 689 CD1 LEU A 48 34.228 17.967 20.778 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.556 17.163 20.358 1.00 1.00 C ATOM 0 H LEU A 48 34.772 13.888 20.855 1.00 1.00 H new ATOM 0 HA LEU A 48 37.133 15.220 22.028 1.00 1.00 H new ATOM 0 HB2 LEU A 48 34.169 15.810 22.453 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.524 16.834 22.885 1.00 1.00 H new ATOM 0 HG LEU A 48 34.758 16.013 20.042 1.00 1.00 H new ATOM 0 HD11 LEU A 48 34.204 18.417 19.786 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.220 17.667 21.065 1.00 1.00 H new ATOM 0 HD13 LEU A 48 34.609 18.693 21.496 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.533 17.614 19.366 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.937 17.888 21.077 1.00 1.00 H new ATOM 0 HD23 LEU A 48 37.207 16.289 20.345 1.00 1.00 H new ATOM 702 N VAL A 49 35.486 12.887 23.361 1.00 1.00 N ATOM 703 CA VAL A 49 35.310 12.060 24.549 1.00 1.00 C ATOM 704 C VAL A 49 36.528 11.166 24.762 1.00 1.00 C ATOM 705 O VAL A 49 36.605 10.432 25.748 1.00 1.00 O ATOM 706 CB VAL A 49 34.058 11.193 24.401 1.00 1.00 C ATOM 707 CG1 VAL A 49 33.911 10.296 25.631 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.827 12.094 24.277 1.00 1.00 C ATOM 0 H VAL A 49 35.218 12.437 22.486 1.00 1.00 H new ATOM 0 HA VAL A 49 35.197 12.715 25.413 1.00 1.00 H new ATOM 0 HB VAL A 49 34.147 10.574 23.508 1.00 1.00 H new ATOM 0 HG11 VAL A 49 33.019 9.678 25.526 1.00 1.00 H new ATOM 0 HG12 VAL A 49 34.788 9.655 25.721 1.00 1.00 H new ATOM 0 HG13 VAL A 49 33.821 10.915 26.524 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.934 11.478 24.171 1.00 1.00 H new ATOM 0 HG22 VAL A 49 32.737 12.713 25.170 1.00 1.00 H new ATOM 0 HG23 VAL A 49 32.931 12.734 23.401 1.00 1.00 H new ATOM 718 N LEU A 50 37.475 11.236 23.831 1.00 1.00 N ATOM 719 CA LEU A 50 38.689 10.431 23.921 1.00 1.00 C ATOM 720 C LEU A 50 39.925 11.301 23.714 1.00 1.00 C ATOM 721 O LEU A 50 40.989 11.026 24.270 1.00 1.00 O ATOM 722 CB LEU A 50 38.660 9.323 22.865 1.00 1.00 C ATOM 723 CG LEU A 50 38.518 9.944 21.475 1.00 1.00 C ATOM 724 CD1 LEU A 50 39.831 9.783 20.706 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.394 9.237 20.714 1.00 1.00 C ATOM 0 H LEU A 50 37.426 11.839 23.010 1.00 1.00 H new ATOM 0 HA LEU A 50 38.734 9.985 24.915 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.574 8.731 22.919 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.829 8.644 23.058 1.00 1.00 H new ATOM 0 HG LEU A 50 38.282 11.004 21.574 1.00 1.00 H new ATOM 0 HD11 LEU A 50 39.729 10.226 19.715 1.00 1.00 H new ATOM 0 HD12 LEU A 50 40.633 10.285 21.247 1.00 1.00 H new ATOM 0 HD13 LEU A 50 40.067 8.724 20.607 1.00 1.00 H new ATOM 0 HD21 LEU A 50 37.292 9.679 19.723 1.00 1.00 H new ATOM 0 HD22 LEU A 50 37.631 8.178 20.616 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.458 9.350 21.260 1.00 1.00 H new ATOM 737 N TRP A 51 39.778 12.351 22.913 1.00 1.00 N ATOM 738 CA TRP A 51 40.889 13.254 22.641 1.00 1.00 C ATOM 739 C TRP A 51 41.395 13.884 23.935 1.00 1.00 C ATOM 740 O TRP A 51 42.469 13.537 24.427 1.00 1.00 O ATOM 741 CB TRP A 51 40.444 14.355 21.677 1.00 1.00 C ATOM 742 CG TRP A 51 41.390 15.508 21.766 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.697 15.470 21.416 1.00 1.00 C ATOM 744 CD2 TRP A 51 41.130 16.866 22.227 1.00 1.00 C ATOM 745 NE1 TRP A 51 43.254 16.718 21.633 1.00 1.00 N ATOM 746 CE2 TRP A 51 42.328 17.612 22.132 1.00 1.00 C ATOM 747 CE3 TRP A 51 39.981 17.516 22.713 1.00 1.00 C ATOM 748 CZ2 TRP A 51 42.385 18.955 22.507 1.00 1.00 C ATOM 749 CZ3 TRP A 51 40.035 18.869 23.090 1.00 1.00 C ATOM 750 CH2 TRP A 51 41.235 19.585 22.988 1.00 1.00 C ATOM 0 H TRP A 51 38.906 12.596 22.444 1.00 1.00 H new ATOM 0 HA TRP A 51 41.697 12.679 22.188 1.00 1.00 H new ATOM 0 HB2 TRP A 51 40.417 13.971 20.657 1.00 1.00 H new ATOM 0 HB3 TRP A 51 39.433 14.681 21.922 1.00 1.00 H new ATOM 0 HD1 TRP A 51 43.220 14.607 21.031 1.00 1.00 H new ATOM 0 HE1 TRP A 51 44.230 16.949 21.447 1.00 1.00 H new ATOM 0 HE3 TRP A 51 39.052 16.972 22.797 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 43.312 19.503 22.426 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 39.147 19.359 23.460 1.00 1.00 H new ATOM 0 HH2 TRP A 51 41.271 20.624 23.281 1.00 1.00 H new ATOM 761 N THR A 52 40.614 14.808 24.482 1.00 1.00 N ATOM 762 CA THR A 52 40.993 15.480 25.721 1.00 1.00 C ATOM 763 C THR A 52 41.421 14.462 26.772 1.00 1.00 C ATOM 764 O THR A 52 42.467 14.611 27.405 1.00 1.00 O ATOM 765 CB THR A 52 39.815 16.300 26.252 1.00 1.00 C ATOM 766 OG1 THR A 52 39.864 16.332 27.671 1.00 1.00 O ATOM 767 CG2 THR A 52 38.500 15.663 25.800 1.00 1.00 C ATOM 0 H THR A 52 39.721 15.108 24.091 1.00 1.00 H new ATOM 0 HA THR A 52 41.832 16.144 25.511 1.00 1.00 H new ATOM 0 HB THR A 52 39.876 17.316 25.862 1.00 1.00 H new ATOM 0 HG1 THR A 52 39.111 16.858 28.013 1.00 1.00 H new ATOM 0 HG21 THR A 52 37.663 16.249 26.179 1.00 1.00 H new ATOM 0 HG22 THR A 52 38.463 15.640 24.711 1.00 1.00 H new ATOM 0 HG23 THR A 52 38.436 14.646 26.187 1.00 1.00 H new ATOM 775 N VAL A 53 40.607 13.427 26.954 1.00 1.00 N ATOM 776 CA VAL A 53 40.913 12.390 27.933 1.00 1.00 C ATOM 777 C VAL A 53 42.333 11.870 27.735 1.00 1.00 C ATOM 778 O VAL A 53 43.138 11.864 28.667 1.00 1.00 O ATOM 779 CB VAL A 53 39.921 11.235 27.796 1.00 1.00 C ATOM 780 CG1 VAL A 53 40.015 10.332 29.028 1.00 1.00 C ATOM 781 CG2 VAL A 53 38.501 11.794 27.683 1.00 1.00 C ATOM 0 H VAL A 53 39.737 13.284 26.441 1.00 1.00 H new ATOM 0 HA VAL A 53 40.832 12.822 28.931 1.00 1.00 H new ATOM 0 HB VAL A 53 40.158 10.657 26.903 1.00 1.00 H new ATOM 0 HG11 VAL A 53 39.308 9.508 28.930 1.00 1.00 H new ATOM 0 HG12 VAL A 53 41.026 9.934 29.111 1.00 1.00 H new ATOM 0 HG13 VAL A 53 39.778 10.910 29.921 1.00 1.00 H new ATOM 0 HG21 VAL A 53 37.793 10.971 27.585 1.00 1.00 H new ATOM 0 HG22 VAL A 53 38.265 12.372 28.577 1.00 1.00 H new ATOM 0 HG23 VAL A 53 38.432 12.438 26.806 1.00 1.00 H new ATOM 791 N PHE A 54 42.634 11.434 26.517 1.00 1.00 N ATOM 792 CA PHE A 54 43.962 10.913 26.208 1.00 1.00 C ATOM 793 C PHE A 54 45.042 11.842 26.756 1.00 1.00 C ATOM 794 O PHE A 54 46.147 11.404 27.073 1.00 1.00 O ATOM 795 CB PHE A 54 44.128 10.771 24.695 1.00 1.00 C ATOM 796 CG PHE A 54 45.387 9.991 24.397 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.417 8.607 24.602 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.523 10.653 23.917 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.584 7.883 24.326 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.690 9.930 23.642 1.00 1.00 C ATOM 801 CZ PHE A 54 47.720 8.545 23.846 1.00 1.00 C ATOM 0 H PHE A 54 41.983 11.430 25.732 1.00 1.00 H new ATOM 0 HA PHE A 54 44.067 9.935 26.678 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.263 10.262 24.270 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.179 11.756 24.230 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.540 8.097 24.973 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.499 11.721 23.759 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.607 6.815 24.483 1.00 1.00 H new ATOM 0 HE2 PHE A 54 48.567 10.441 23.273 1.00 1.00 H new ATOM 0 HZ PHE A 54 48.620 7.987 23.633 1.00 1.00 H new ATOM 811 N ARG A 55 44.711 13.124 26.866 1.00 1.00 N ATOM 812 CA ARG A 55 45.662 14.106 27.376 1.00 1.00 C ATOM 813 C ARG A 55 45.495 14.279 28.882 1.00 1.00 C ATOM 814 O ARG A 55 46.429 14.046 29.650 1.00 1.00 O ATOM 815 CB ARG A 55 45.449 15.451 26.680 1.00 1.00 C ATOM 816 CG ARG A 55 45.687 15.292 25.177 1.00 1.00 C ATOM 817 CD ARG A 55 44.817 16.291 24.413 1.00 1.00 C ATOM 818 NE ARG A 55 45.405 16.578 23.109 1.00 1.00 N ATOM 819 CZ ARG A 55 46.361 17.491 22.971 1.00 1.00 C ATOM 820 NH1 ARG A 55 46.790 18.149 24.014 1.00 1.00 N ATOM 821 NH2 ARG A 55 46.871 17.729 21.794 1.00 1.00 N ATOM 0 H ARG A 55 43.800 13.506 26.612 1.00 1.00 H new ATOM 0 HA ARG A 55 46.671 13.748 27.171 1.00 1.00 H new ATOM 0 HB2 ARG A 55 44.436 15.810 26.862 1.00 1.00 H new ATOM 0 HB3 ARG A 55 46.130 16.196 27.090 1.00 1.00 H new ATOM 0 HG2 ARG A 55 46.739 15.458 24.945 1.00 1.00 H new ATOM 0 HG3 ARG A 55 45.449 14.275 24.866 1.00 1.00 H new ATOM 0 HD2 ARG A 55 43.813 15.887 24.286 1.00 1.00 H new ATOM 0 HD3 ARG A 55 44.720 17.213 24.987 1.00 1.00 H new ATOM 0 HE ARG A 55 45.077 16.069 22.288 1.00 1.00 H new ATOM 0 HH11 ARG A 55 46.391 17.962 24.934 1.00 1.00 H new ATOM 0 HH12 ARG A 55 47.524 18.850 23.909 1.00 1.00 H new ATOM 0 HH21 ARG A 55 46.536 17.214 20.980 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.605 18.430 21.688 1.00 1.00 H new ATOM 835 N LYS A 56 44.301 14.689 29.298 1.00 1.00 N ATOM 836 CA LYS A 56 44.024 14.889 30.716 1.00 1.00 C ATOM 837 C LYS A 56 44.470 13.677 31.526 1.00 1.00 C ATOM 838 O LYS A 56 44.724 13.779 32.725 1.00 1.00 O ATOM 839 CB LYS A 56 42.528 15.125 30.928 1.00 1.00 C ATOM 840 CG LYS A 56 42.096 16.381 30.169 1.00 1.00 C ATOM 841 CD LYS A 56 41.909 17.535 31.156 1.00 1.00 C ATOM 842 CE LYS A 56 41.528 18.805 30.392 1.00 1.00 C ATOM 843 NZ LYS A 56 40.788 19.727 31.299 1.00 1.00 N ATOM 0 H LYS A 56 43.515 14.888 28.679 1.00 1.00 H new ATOM 0 HA LYS A 56 44.581 15.762 31.055 1.00 1.00 H new ATOM 0 HB2 LYS A 56 41.960 14.263 30.578 1.00 1.00 H new ATOM 0 HB3 LYS A 56 42.314 15.238 31.991 1.00 1.00 H new ATOM 0 HG2 LYS A 56 42.846 16.644 29.423 1.00 1.00 H new ATOM 0 HG3 LYS A 56 41.166 16.193 29.633 1.00 1.00 H new ATOM 0 HD2 LYS A 56 41.132 17.286 31.879 1.00 1.00 H new ATOM 0 HD3 LYS A 56 42.828 17.699 31.719 1.00 1.00 H new ATOM 0 HE2 LYS A 56 42.424 19.295 30.010 1.00 1.00 H new ATOM 0 HE3 LYS A 56 40.910 18.552 29.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 40.529 20.590 30.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 39.926 19.258 31.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 41.392 19.977 32.108 1.00 1.00 H new ATOM 857 N LYS A 57 44.560 12.528 30.862 1.00 1.00 N ATOM 858 CA LYS A 57 44.974 11.302 31.528 1.00 1.00 C ATOM 859 C LYS A 57 46.458 11.353 31.879 1.00 1.00 C ATOM 860 O LYS A 57 47.172 10.360 31.746 1.00 1.00 O ATOM 861 CB LYS A 57 44.702 10.099 30.622 1.00 1.00 C ATOM 862 CG LYS A 57 44.912 8.804 31.410 1.00 1.00 C ATOM 863 CD LYS A 57 45.872 7.890 30.646 1.00 1.00 C ATOM 864 CE LYS A 57 45.260 7.523 29.293 1.00 1.00 C ATOM 865 NZ LYS A 57 46.092 8.099 28.199 1.00 1.00 N ATOM 0 H LYS A 57 44.353 12.423 29.869 1.00 1.00 H new ATOM 0 HA LYS A 57 44.400 11.201 32.449 1.00 1.00 H new ATOM 0 HB2 LYS A 57 43.682 10.142 30.240 1.00 1.00 H new ATOM 0 HB3 LYS A 57 45.367 10.123 29.759 1.00 1.00 H new ATOM 0 HG2 LYS A 57 45.315 9.028 32.397 1.00 1.00 H new ATOM 0 HG3 LYS A 57 43.958 8.300 31.563 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.829 8.391 30.500 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.069 6.988 31.224 1.00 1.00 H new ATOM 0 HE2 LYS A 57 45.203 6.439 29.189 1.00 1.00 H new ATOM 0 HE3 LYS A 57 44.241 7.903 29.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 46.054 7.474 27.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.726 9.038 27.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 47.077 8.187 28.522 1.00 1.00 H new ATOM 879 N GLY A 58 46.916 12.517 32.328 1.00 1.00 N ATOM 880 CA GLY A 58 48.317 12.685 32.695 1.00 1.00 C ATOM 881 C GLY A 58 48.532 12.392 34.175 1.00 1.00 C ATOM 882 O GLY A 58 49.275 13.098 34.856 1.00 1.00 O ATOM 0 H GLY A 58 46.342 13.352 32.446 1.00 1.00 H new ATOM 0 HA2 GLY A 58 48.936 12.019 32.095 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.636 13.703 32.472 1.00 1.00 H new ATOM 886 N HIS A 59 47.875 11.347 34.667 1.00 1.00 N ATOM 887 CA HIS A 59 48.000 10.970 36.070 1.00 1.00 C ATOM 888 C HIS A 59 48.948 9.784 36.223 1.00 1.00 C ATOM 889 O HIS A 59 50.152 9.959 36.411 1.00 1.00 O ATOM 890 CB HIS A 59 46.628 10.605 36.639 1.00 1.00 C ATOM 891 CG HIS A 59 45.816 11.857 36.831 1.00 1.00 C ATOM 892 ND1 HIS A 59 45.154 12.133 38.017 1.00 1.00 N ATOM 893 CD2 HIS A 59 45.551 12.916 35.998 1.00 1.00 C ATOM 894 CE1 HIS A 59 44.528 13.315 37.867 1.00 1.00 C ATOM 895 NE2 HIS A 59 44.737 13.834 36.654 1.00 1.00 N ATOM 0 H HIS A 59 47.255 10.750 34.120 1.00 1.00 H new ATOM 0 HA HIS A 59 48.406 11.819 36.620 1.00 1.00 H new ATOM 0 HB2 HIS A 59 46.111 9.924 35.963 1.00 1.00 H new ATOM 0 HB3 HIS A 59 46.743 10.084 37.590 1.00 1.00 H new ATOM 0 HD2 HIS A 59 45.918 13.020 34.988 1.00 1.00 H new ATOM 0 HE1 HIS A 59 43.930 13.786 38.633 1.00 1.00 H new ATOM 0 HE2 HIS A 59 44.377 14.715 36.287 1.00 1.00 H new ATOM 903 N HIS A 60 48.396 8.578 36.142 1.00 1.00 N ATOM 904 CA HIS A 60 49.202 7.369 36.272 1.00 1.00 C ATOM 905 C HIS A 60 48.362 6.130 35.979 1.00 1.00 C ATOM 906 O HIS A 60 47.198 6.051 36.372 1.00 1.00 O ATOM 907 CB HIS A 60 49.777 7.275 37.687 1.00 1.00 C ATOM 908 CG HIS A 60 51.276 7.180 37.613 1.00 1.00 C ATOM 909 ND1 HIS A 60 52.104 8.203 38.049 1.00 1.00 N ATOM 910 CD2 HIS A 60 52.111 6.189 37.159 1.00 1.00 C ATOM 911 CE1 HIS A 60 53.375 7.809 37.848 1.00 1.00 C ATOM 912 NE2 HIS A 60 53.436 6.589 37.308 1.00 1.00 N ATOM 0 H HIS A 60 47.401 8.412 35.988 1.00 1.00 H new ATOM 0 HA HIS A 60 50.018 7.419 35.551 1.00 1.00 H new ATOM 0 HB2 HIS A 60 49.486 8.150 38.268 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.371 6.402 38.199 1.00 1.00 H new ATOM 0 HD2 HIS A 60 51.789 5.243 36.749 1.00 1.00 H new ATOM 0 HE1 HIS A 60 54.240 8.407 38.094 1.00 1.00 H new ATOM 0 HE2 HIS A 60 54.274 6.063 37.058 1.00 1.00 H new ATOM 920 N HIS A 61 48.959 5.167 35.286 1.00 1.00 N ATOM 921 CA HIS A 61 48.256 3.935 34.945 1.00 1.00 C ATOM 922 C HIS A 61 47.595 3.336 36.183 1.00 1.00 C ATOM 923 O HIS A 61 46.371 3.233 36.256 1.00 1.00 O ATOM 924 CB HIS A 61 49.234 2.924 34.346 1.00 1.00 C ATOM 925 CG HIS A 61 48.537 1.605 34.152 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.156 0.395 34.416 1.00 1.00 N ATOM 927 CD2 HIS A 61 47.271 1.293 33.719 1.00 1.00 C ATOM 928 CE1 HIS A 61 48.272 -0.582 34.142 1.00 1.00 C ATOM 929 NE2 HIS A 61 47.107 -0.089 33.715 1.00 1.00 N ATOM 0 H HIS A 61 49.921 5.214 34.951 1.00 1.00 H new ATOM 0 HA HIS A 61 47.484 4.170 34.212 1.00 1.00 H new ATOM 0 HB2 HIS A 61 49.613 3.290 33.392 1.00 1.00 H new ATOM 0 HB3 HIS A 61 50.094 2.800 35.005 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.518 2.010 33.427 1.00 1.00 H new ATOM 0 HE1 HIS A 61 48.480 -1.636 34.254 1.00 1.00 H new ATOM 0 HE2 HIS A 61 46.275 -0.613 33.444 1.00 1.00 H new ATOM 937 N HIS A 62 48.414 2.942 37.153 1.00 1.00 N ATOM 938 CA HIS A 62 47.899 2.355 38.384 1.00 1.00 C ATOM 939 C HIS A 62 48.985 2.310 39.453 1.00 1.00 C ATOM 940 O HIS A 62 49.707 1.321 39.579 1.00 1.00 O ATOM 941 CB HIS A 62 47.389 0.938 38.112 1.00 1.00 C ATOM 942 CG HIS A 62 47.316 0.175 39.406 1.00 1.00 C ATOM 943 ND1 HIS A 62 46.392 0.479 40.393 1.00 1.00 N ATOM 944 CD2 HIS A 62 48.045 -0.883 39.889 1.00 1.00 C ATOM 945 CE1 HIS A 62 46.587 -0.379 41.411 1.00 1.00 C ATOM 946 NE2 HIS A 62 47.584 -1.231 41.156 1.00 1.00 N ATOM 0 H HIS A 62 49.430 3.018 37.111 1.00 1.00 H new ATOM 0 HA HIS A 62 47.078 2.975 38.744 1.00 1.00 H new ATOM 0 HB2 HIS A 62 46.405 0.978 37.645 1.00 1.00 H new ATOM 0 HB3 HIS A 62 48.053 0.429 37.414 1.00 1.00 H new ATOM 0 HD2 HIS A 62 48.854 -1.372 39.366 1.00 1.00 H new ATOM 0 HE1 HIS A 62 46.008 -0.379 42.323 1.00 1.00 H new ATOM 0 HE2 HIS A 62 47.932 -1.976 41.759 1.00 1.00 H new ATOM 954 N HIS A 63 49.096 3.389 40.222 1.00 1.00 N ATOM 955 CA HIS A 63 50.098 3.462 41.278 1.00 1.00 C ATOM 956 C HIS A 63 49.720 4.526 42.303 1.00 1.00 C ATOM 957 O HIS A 63 50.497 5.440 42.580 1.00 1.00 O ATOM 958 CB HIS A 63 51.466 3.792 40.678 1.00 1.00 C ATOM 959 CG HIS A 63 52.503 3.800 41.768 1.00 1.00 C ATOM 960 ND1 HIS A 63 52.274 3.233 43.011 1.00 1.00 N ATOM 961 CD2 HIS A 63 53.779 4.304 41.816 1.00 1.00 C ATOM 962 CE1 HIS A 63 53.386 3.407 43.748 1.00 1.00 C ATOM 963 NE2 HIS A 63 54.334 4.053 43.067 1.00 1.00 N ATOM 0 H HIS A 63 48.509 4.219 40.134 1.00 1.00 H new ATOM 0 HA HIS A 63 50.144 2.494 41.777 1.00 1.00 H new ATOM 0 HB2 HIS A 63 51.728 3.057 39.917 1.00 1.00 H new ATOM 0 HB3 HIS A 63 51.434 4.763 40.185 1.00 1.00 H new ATOM 0 HD2 HIS A 63 54.276 4.817 41.006 1.00 1.00 H new ATOM 0 HE1 HIS A 63 53.498 3.065 44.766 1.00 1.00 H new ATOM 0 HE2 HIS A 63 55.266 4.308 43.393 1.00 1.00 H new ATOM 971 N HIS A 64 48.521 4.402 42.863 1.00 1.00 N ATOM 972 CA HIS A 64 48.049 5.359 43.856 1.00 1.00 C ATOM 973 C HIS A 64 49.080 5.530 44.968 1.00 1.00 C ATOM 974 O HIS A 64 48.852 6.353 45.839 1.00 1.00 O ATOM 975 CB HIS A 64 46.725 4.883 44.454 1.00 1.00 C ATOM 976 CG HIS A 64 46.166 5.952 45.352 1.00 1.00 C ATOM 977 ND1 HIS A 64 46.003 5.763 46.716 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.726 7.227 45.096 1.00 1.00 C ATOM 979 CE1 HIS A 64 45.487 6.896 47.224 1.00 1.00 C ATOM 980 NE2 HIS A 64 45.298 7.821 46.280 1.00 1.00 N ATOM 981 OXT HIS A 64 50.082 4.834 44.931 1.00 1.00 O ATOM 0 H HIS A 64 47.863 3.653 42.648 1.00 1.00 H new ATOM 0 HA HIS A 64 47.899 6.320 43.364 1.00 1.00 H new ATOM 0 HB2 HIS A 64 46.016 4.654 43.658 1.00 1.00 H new ATOM 0 HB3 HIS A 64 46.879 3.963 45.018 1.00 1.00 H new ATOM 0 HD2 HIS A 64 45.714 7.698 44.124 1.00 1.00 H new ATOM 0 HE1 HIS A 64 45.254 7.040 48.269 1.00 1.00 H new ATOM 0 HE2 HIS A 64 44.921 8.761 46.400 1.00 1.00 H new TER 989 HIS A 64