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 Set 1.1: A 52 THR OG1 : rot -40:sc= 0.0054 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -160:sc= -0.978! (180deg=-2.25) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.1) 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= -1.55 K(o=-1.5,f=-0.29) USER MOD Single : A 16 GLN : amide:sc= -0.883 K(o=-0.88,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.318 USER MOD Single : A 21 TYR OH : rot 85:sc= 0.0785 USER MOD Single : A 22 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.366 (180deg=-1.08) USER MOD Single : A 26 SER OG : rot -48:sc= 0.234 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 -63:sc= 0.462 USER MOD Single : A 44 THR OG1 : rot 150:sc= -1.23 USER MOD Single : A 46 ASN : amide:sc= -4.42! K(o=-4.4!,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 0 (180deg=-1.09) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-6.7!) USER MOD Single : A 62 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.448 9.413 24.579 1.00 1.00 N ATOM 2 CA MET A 1 25.095 9.633 25.163 1.00 1.00 C ATOM 3 C MET A 1 24.100 8.680 24.508 1.00 1.00 C ATOM 4 O MET A 1 23.987 8.632 23.283 1.00 1.00 O ATOM 5 CB MET A 1 24.667 11.081 24.921 1.00 1.00 C ATOM 6 CG MET A 1 25.133 11.954 26.089 1.00 1.00 C ATOM 7 SD MET A 1 25.049 13.698 25.610 1.00 1.00 S ATOM 8 CE MET A 1 25.729 14.385 27.139 1.00 1.00 C ATOM 0 H1 MET A 1 27.128 10.062 25.024 1.00 1.00 H new ATOM 0 H2 MET A 1 26.744 8.431 24.749 1.00 1.00 H new ATOM 0 H3 MET A 1 26.418 9.593 23.555 1.00 1.00 H new ATOM 0 HA MET A 1 25.121 9.442 26.236 1.00 1.00 H new ATOM 0 HB2 MET A 1 25.094 11.446 23.987 1.00 1.00 H new ATOM 0 HB3 MET A 1 23.583 11.139 24.820 1.00 1.00 H new ATOM 0 HG2 MET A 1 24.507 11.775 26.963 1.00 1.00 H new ATOM 0 HG3 MET A 1 26.153 11.691 26.369 1.00 1.00 H new ATOM 0 HE1 MET A 1 25.769 15.472 27.063 1.00 1.00 H new ATOM 0 HE2 MET A 1 25.094 14.103 27.979 1.00 1.00 H new ATOM 0 HE3 MET A 1 26.734 13.995 27.298 1.00 1.00 H new ATOM 20 N GLU A 2 23.383 7.924 25.332 1.00 1.00 N ATOM 21 CA GLU A 2 22.400 6.975 24.822 1.00 1.00 C ATOM 22 C GLU A 2 21.015 7.613 24.771 1.00 1.00 C ATOM 23 O GLU A 2 20.024 7.001 25.170 1.00 1.00 O ATOM 24 CB GLU A 2 22.360 5.733 25.714 1.00 1.00 C ATOM 25 CG GLU A 2 23.786 5.248 25.979 1.00 1.00 C ATOM 26 CD GLU A 2 23.757 3.839 26.562 1.00 1.00 C ATOM 27 OE1 GLU A 2 23.374 2.929 25.844 1.00 1.00 O ATOM 28 OE2 GLU A 2 24.119 3.690 27.717 1.00 1.00 O ATOM 0 H GLU A 2 23.463 7.949 26.349 1.00 1.00 H new ATOM 0 HA GLU A 2 22.692 6.687 23.812 1.00 1.00 H new ATOM 0 HB2 GLU A 2 21.863 5.965 26.656 1.00 1.00 H new ATOM 0 HB3 GLU A 2 21.780 4.945 25.233 1.00 1.00 H new ATOM 0 HG2 GLU A 2 24.360 5.255 25.052 1.00 1.00 H new ATOM 0 HG3 GLU A 2 24.287 5.926 26.670 1.00 1.00 H new ATOM 35 N GLU A 3 20.954 8.846 24.277 1.00 1.00 N ATOM 36 CA GLU A 3 19.686 9.557 24.179 1.00 1.00 C ATOM 37 C GLU A 3 19.596 10.314 22.858 1.00 1.00 C ATOM 38 O GLU A 3 19.877 11.510 22.796 1.00 1.00 O ATOM 39 CB GLU A 3 19.547 10.540 25.343 1.00 1.00 C ATOM 40 CG GLU A 3 18.297 11.399 25.140 1.00 1.00 C ATOM 41 CD GLU A 3 17.706 11.787 26.491 1.00 1.00 C ATOM 42 OE1 GLU A 3 18.234 12.700 27.105 1.00 1.00 O ATOM 43 OE2 GLU A 3 16.735 11.167 26.891 1.00 1.00 O ATOM 0 H GLU A 3 21.762 9.370 23.941 1.00 1.00 H new ATOM 0 HA GLU A 3 18.878 8.827 24.222 1.00 1.00 H new ATOM 0 HB2 GLU A 3 19.479 9.997 26.285 1.00 1.00 H new ATOM 0 HB3 GLU A 3 20.431 11.175 25.404 1.00 1.00 H new ATOM 0 HG2 GLU A 3 18.550 12.295 24.573 1.00 1.00 H new ATOM 0 HG3 GLU A 3 17.559 10.850 24.555 1.00 1.00 H new ATOM 50 N GLY A 4 19.204 9.607 21.802 1.00 1.00 N ATOM 51 CA GLY A 4 19.081 10.222 20.486 1.00 1.00 C ATOM 52 C GLY A 4 19.202 9.177 19.383 1.00 1.00 C ATOM 53 O GLY A 4 18.602 9.314 18.316 1.00 1.00 O ATOM 0 H GLY A 4 18.968 8.615 21.832 1.00 1.00 H new ATOM 0 HA2 GLY A 4 18.120 10.731 20.406 1.00 1.00 H new ATOM 0 HA3 GLY A 4 19.854 10.980 20.361 1.00 1.00 H new ATOM 57 N GLY A 5 19.980 8.132 19.647 1.00 1.00 N ATOM 58 CA GLY A 5 20.172 7.069 18.668 1.00 1.00 C ATOM 59 C GLY A 5 18.832 6.516 18.193 1.00 1.00 C ATOM 60 O GLY A 5 18.555 6.478 16.995 1.00 1.00 O ATOM 0 H GLY A 5 20.484 7.999 20.524 1.00 1.00 H new ATOM 0 HA2 GLY A 5 20.734 7.451 17.816 1.00 1.00 H new ATOM 0 HA3 GLY A 5 20.765 6.267 19.108 1.00 1.00 H new ATOM 64 N ASP A 6 18.004 6.092 19.142 1.00 1.00 N ATOM 65 CA ASP A 6 16.695 5.545 18.811 1.00 1.00 C ATOM 66 C ASP A 6 16.812 4.501 17.704 1.00 1.00 C ATOM 67 O ASP A 6 17.909 4.211 17.226 1.00 1.00 O ATOM 68 CB ASP A 6 15.763 6.670 18.359 1.00 1.00 C ATOM 69 CG ASP A 6 15.522 6.577 16.856 1.00 1.00 C ATOM 70 OD1 ASP A 6 16.388 7.004 16.110 1.00 1.00 O ATOM 71 OD2 ASP A 6 14.476 6.081 16.473 1.00 1.00 O ATOM 0 H ASP A 6 18.215 6.116 20.140 1.00 1.00 H new ATOM 0 HA ASP A 6 16.285 5.066 19.700 1.00 1.00 H new ATOM 0 HB2 ASP A 6 14.815 6.604 18.892 1.00 1.00 H new ATOM 0 HB3 ASP A 6 16.201 7.637 18.606 1.00 1.00 H new ATOM 76 N PHE A 7 15.676 3.941 17.302 1.00 1.00 N ATOM 77 CA PHE A 7 15.664 2.930 16.252 1.00 1.00 C ATOM 78 C PHE A 7 14.494 3.160 15.301 1.00 1.00 C ATOM 79 O PHE A 7 13.370 2.735 15.570 1.00 1.00 O ATOM 80 CB PHE A 7 15.555 1.535 16.870 1.00 1.00 C ATOM 81 CG PHE A 7 16.926 0.906 16.936 1.00 1.00 C ATOM 82 CD1 PHE A 7 17.543 0.445 15.766 1.00 1.00 C ATOM 83 CD2 PHE A 7 17.582 0.782 18.168 1.00 1.00 C ATOM 84 CE1 PHE A 7 18.814 -0.139 15.828 1.00 1.00 C ATOM 85 CE2 PHE A 7 18.852 0.198 18.228 1.00 1.00 C ATOM 86 CZ PHE A 7 19.468 -0.262 17.058 1.00 1.00 C ATOM 0 H PHE A 7 14.758 4.168 17.684 1.00 1.00 H new ATOM 0 HA PHE A 7 16.595 3.006 15.690 1.00 1.00 H new ATOM 0 HB2 PHE A 7 15.125 1.601 17.869 1.00 1.00 H new ATOM 0 HB3 PHE A 7 14.886 0.913 16.275 1.00 1.00 H new ATOM 0 HD1 PHE A 7 17.038 0.540 14.816 1.00 1.00 H new ATOM 0 HD2 PHE A 7 17.107 1.137 19.071 1.00 1.00 H new ATOM 0 HE1 PHE A 7 19.289 -0.495 14.926 1.00 1.00 H new ATOM 0 HE2 PHE A 7 19.357 0.102 19.178 1.00 1.00 H new ATOM 0 HZ PHE A 7 20.449 -0.712 17.105 1.00 1.00 H new ATOM 96 N ASP A 8 14.765 3.833 14.188 1.00 1.00 N ATOM 97 CA ASP A 8 13.727 4.114 13.203 1.00 1.00 C ATOM 98 C ASP A 8 14.332 4.254 11.810 1.00 1.00 C ATOM 99 O ASP A 8 14.164 5.279 11.149 1.00 1.00 O ATOM 100 CB ASP A 8 12.991 5.402 13.573 1.00 1.00 C ATOM 101 CG ASP A 8 11.726 5.540 12.733 1.00 1.00 C ATOM 102 OD1 ASP A 8 11.838 5.966 11.595 1.00 1.00 O ATOM 103 OD2 ASP A 8 10.664 5.218 13.239 1.00 1.00 O ATOM 0 H ASP A 8 15.689 4.192 13.946 1.00 1.00 H new ATOM 0 HA ASP A 8 13.023 3.282 13.198 1.00 1.00 H new ATOM 0 HB2 ASP A 8 12.735 5.392 14.632 1.00 1.00 H new ATOM 0 HB3 ASP A 8 13.641 6.262 13.410 1.00 1.00 H new ATOM 108 N ASN A 9 15.039 3.218 11.370 1.00 1.00 N ATOM 109 CA ASN A 9 15.665 3.235 10.054 1.00 1.00 C ATOM 110 C ASN A 9 15.489 1.890 9.357 1.00 1.00 C ATOM 111 O ASN A 9 16.419 1.375 8.737 1.00 1.00 O ATOM 112 CB ASN A 9 17.157 3.551 10.189 1.00 1.00 C ATOM 113 CG ASN A 9 17.346 4.869 10.931 1.00 1.00 C ATOM 114 OD1 ASN A 9 17.156 4.932 12.146 1.00 1.00 O ATOM 115 ND2 ASN A 9 17.711 5.933 10.269 1.00 1.00 N ATOM 0 H ASN A 9 15.192 2.361 11.902 1.00 1.00 H new ATOM 0 HA ASN A 9 15.183 4.007 9.454 1.00 1.00 H new ATOM 0 HB2 ASN A 9 17.660 2.747 10.726 1.00 1.00 H new ATOM 0 HB3 ASN A 9 17.615 3.611 9.202 1.00 1.00 H new ATOM 0 HD21 ASN A 9 17.839 6.819 10.758 1.00 1.00 H new ATOM 0 HD22 ASN A 9 17.868 5.879 9.263 1.00 1.00 H new ATOM 122 N TYR A 10 14.290 1.328 9.463 1.00 1.00 N ATOM 123 CA TYR A 10 14.003 0.042 8.839 1.00 1.00 C ATOM 124 C TYR A 10 14.524 0.014 7.406 1.00 1.00 C ATOM 125 O TYR A 10 14.466 1.015 6.693 1.00 1.00 O ATOM 126 CB TYR A 10 12.494 -0.214 8.839 1.00 1.00 C ATOM 127 CG TYR A 10 11.927 0.124 10.196 1.00 1.00 C ATOM 128 CD1 TYR A 10 11.954 -0.828 11.223 1.00 1.00 C ATOM 129 CD2 TYR A 10 11.371 1.388 10.429 1.00 1.00 C ATOM 130 CE1 TYR A 10 11.429 -0.516 12.482 1.00 1.00 C ATOM 131 CE2 TYR A 10 10.846 1.700 11.689 1.00 1.00 C ATOM 132 CZ TYR A 10 10.874 0.749 12.715 1.00 1.00 C ATOM 133 OH TYR A 10 10.355 1.056 13.956 1.00 1.00 O ATOM 0 H TYR A 10 13.507 1.739 9.971 1.00 1.00 H new ATOM 0 HA TYR A 10 14.504 -0.738 9.412 1.00 1.00 H new ATOM 0 HB2 TYR A 10 12.012 0.390 8.071 1.00 1.00 H new ATOM 0 HB3 TYR A 10 12.291 -1.257 8.598 1.00 1.00 H new ATOM 0 HD1 TYR A 10 12.380 -1.804 11.043 1.00 1.00 H new ATOM 0 HD2 TYR A 10 11.347 2.122 9.637 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.452 -1.250 13.274 1.00 1.00 H new ATOM 0 HE2 TYR A 10 10.419 2.676 11.869 1.00 1.00 H new ATOM 0 HH TYR A 10 10.011 1.974 13.949 1.00 1.00 H new ATOM 143 N TYR A 11 15.035 -1.141 6.990 1.00 1.00 N ATOM 144 CA TYR A 11 15.564 -1.288 5.639 1.00 1.00 C ATOM 145 C TYR A 11 14.508 -0.914 4.605 1.00 1.00 C ATOM 146 O TYR A 11 13.453 -0.380 4.947 1.00 1.00 O ATOM 147 CB TYR A 11 16.016 -2.732 5.410 1.00 1.00 C ATOM 148 CG TYR A 11 14.811 -3.603 5.155 1.00 1.00 C ATOM 149 CD1 TYR A 11 13.971 -3.966 6.216 1.00 1.00 C ATOM 150 CD2 TYR A 11 14.531 -4.049 3.857 1.00 1.00 C ATOM 151 CE1 TYR A 11 12.853 -4.773 5.978 1.00 1.00 C ATOM 152 CE2 TYR A 11 13.412 -4.857 3.620 1.00 1.00 C ATOM 153 CZ TYR A 11 12.573 -5.220 4.681 1.00 1.00 C ATOM 154 OH TYR A 11 11.470 -6.015 4.447 1.00 1.00 O ATOM 0 H TYR A 11 15.094 -1.982 7.564 1.00 1.00 H new ATOM 0 HA TYR A 11 16.417 -0.618 5.528 1.00 1.00 H new ATOM 0 HB2 TYR A 11 16.699 -2.780 4.562 1.00 1.00 H new ATOM 0 HB3 TYR A 11 16.563 -3.095 6.280 1.00 1.00 H new ATOM 0 HD1 TYR A 11 14.186 -3.623 7.217 1.00 1.00 H new ATOM 0 HD2 TYR A 11 15.178 -3.770 3.039 1.00 1.00 H new ATOM 0 HE1 TYR A 11 12.205 -5.052 6.796 1.00 1.00 H new ATOM 0 HE2 TYR A 11 13.196 -5.200 2.619 1.00 1.00 H new ATOM 0 HH TYR A 11 11.422 -6.235 3.493 1.00 1.00 H new ATOM 164 N GLY A 12 14.798 -1.199 3.340 1.00 1.00 N ATOM 165 CA GLY A 12 13.865 -0.887 2.264 1.00 1.00 C ATOM 166 C GLY A 12 14.304 0.361 1.506 1.00 1.00 C ATOM 167 O GLY A 12 14.058 0.490 0.307 1.00 1.00 O ATOM 0 H GLY A 12 15.665 -1.642 3.036 1.00 1.00 H new ATOM 0 HA2 GLY A 12 13.801 -1.731 1.577 1.00 1.00 H new ATOM 0 HA3 GLY A 12 12.867 -0.735 2.676 1.00 1.00 H new ATOM 171 N ALA A 13 14.955 1.278 2.214 1.00 1.00 N ATOM 172 CA ALA A 13 15.424 2.514 1.597 1.00 1.00 C ATOM 173 C ALA A 13 16.857 2.355 1.101 1.00 1.00 C ATOM 174 O ALA A 13 17.764 3.046 1.565 1.00 1.00 O ATOM 175 CB ALA A 13 15.355 3.659 2.608 1.00 1.00 C ATOM 0 H ALA A 13 15.169 1.191 3.208 1.00 1.00 H new ATOM 0 HA ALA A 13 14.781 2.741 0.746 1.00 1.00 H new ATOM 0 HB1 ALA A 13 15.707 4.579 2.141 1.00 1.00 H new ATOM 0 HB2 ALA A 13 14.325 3.791 2.939 1.00 1.00 H new ATOM 0 HB3 ALA A 13 15.984 3.425 3.467 1.00 1.00 H new ATOM 181 N ASP A 14 17.053 1.440 0.157 1.00 1.00 N ATOM 182 CA ASP A 14 18.381 1.199 -0.395 1.00 1.00 C ATOM 183 C ASP A 14 18.919 2.458 -1.066 1.00 1.00 C ATOM 184 O ASP A 14 18.900 2.577 -2.292 1.00 1.00 O ATOM 185 CB ASP A 14 18.325 0.060 -1.414 1.00 1.00 C ATOM 186 CG ASP A 14 17.320 0.390 -2.511 1.00 1.00 C ATOM 187 OD1 ASP A 14 16.172 0.639 -2.181 1.00 1.00 O ATOM 188 OD2 ASP A 14 17.713 0.391 -3.666 1.00 1.00 O ATOM 0 H ASP A 14 16.315 0.857 -0.239 1.00 1.00 H new ATOM 0 HA ASP A 14 19.048 0.923 0.422 1.00 1.00 H new ATOM 0 HB2 ASP A 14 19.312 -0.098 -1.849 1.00 1.00 H new ATOM 0 HB3 ASP A 14 18.043 -0.869 -0.918 1.00 1.00 H new ATOM 193 N ASN A 15 19.398 3.397 -0.256 1.00 1.00 N ATOM 194 CA ASN A 15 19.939 4.646 -0.781 1.00 1.00 C ATOM 195 C ASN A 15 21.236 5.011 -0.069 1.00 1.00 C ATOM 196 O ASN A 15 22.145 5.584 -0.670 1.00 1.00 O ATOM 197 CB ASN A 15 18.921 5.773 -0.602 1.00 1.00 C ATOM 198 CG ASN A 15 17.565 5.344 -1.152 1.00 1.00 C ATOM 199 OD1 ASN A 15 17.364 5.324 -2.366 1.00 1.00 O ATOM 200 ND2 ASN A 15 16.616 4.999 -0.325 1.00 1.00 N ATOM 0 H ASN A 15 19.423 3.318 0.761 1.00 1.00 H new ATOM 0 HA ASN A 15 20.147 4.511 -1.842 1.00 1.00 H new ATOM 0 HB2 ASN A 15 18.830 6.028 0.454 1.00 1.00 H new ATOM 0 HB3 ASN A 15 19.265 6.670 -1.118 1.00 1.00 H new ATOM 0 HD21 ASN A 15 15.706 4.712 -0.685 1.00 1.00 H new ATOM 0 HD22 ASN A 15 16.785 5.016 0.681 1.00 1.00 H new ATOM 207 N GLN A 16 21.316 4.677 1.215 1.00 1.00 N ATOM 208 CA GLN A 16 22.510 4.977 1.999 1.00 1.00 C ATOM 209 C GLN A 16 23.705 4.190 1.475 1.00 1.00 C ATOM 210 O GLN A 16 24.202 3.280 2.140 1.00 1.00 O ATOM 211 CB GLN A 16 22.270 4.628 3.469 1.00 1.00 C ATOM 212 CG GLN A 16 21.922 3.142 3.591 1.00 1.00 C ATOM 213 CD GLN A 16 20.601 2.976 4.334 1.00 1.00 C ATOM 214 OE1 GLN A 16 20.537 2.266 5.338 1.00 1.00 O ATOM 215 NE2 GLN A 16 19.536 3.592 3.898 1.00 1.00 N ATOM 0 H GLN A 16 20.575 4.203 1.732 1.00 1.00 H new ATOM 0 HA GLN A 16 22.724 6.042 1.909 1.00 1.00 H new ATOM 0 HB2 GLN A 16 23.160 4.854 4.057 1.00 1.00 H new ATOM 0 HB3 GLN A 16 21.460 5.236 3.871 1.00 1.00 H new ATOM 0 HG2 GLN A 16 21.850 2.694 2.600 1.00 1.00 H new ATOM 0 HG3 GLN A 16 22.716 2.616 4.122 1.00 1.00 H new ATOM 0 HE21 GLN A 16 19.591 4.180 3.066 1.00 1.00 H new ATOM 0 HE22 GLN A 16 18.648 3.486 4.389 1.00 1.00 H new ATOM 224 N SER A 17 24.163 4.543 0.279 1.00 1.00 N ATOM 225 CA SER A 17 25.301 3.863 -0.326 1.00 1.00 C ATOM 226 C SER A 17 26.573 4.686 -0.152 1.00 1.00 C ATOM 227 O SER A 17 26.833 5.615 -0.917 1.00 1.00 O ATOM 228 CB SER A 17 25.039 3.633 -1.814 1.00 1.00 C ATOM 229 OG SER A 17 25.782 2.502 -2.252 1.00 1.00 O ATOM 0 H SER A 17 23.766 5.292 -0.288 1.00 1.00 H new ATOM 0 HA SER A 17 25.434 2.903 0.173 1.00 1.00 H new ATOM 0 HB2 SER A 17 23.975 3.473 -1.987 1.00 1.00 H new ATOM 0 HB3 SER A 17 25.326 4.515 -2.386 1.00 1.00 H new ATOM 0 HG SER A 17 25.615 2.350 -3.206 1.00 1.00 H new ATOM 235 N GLU A 18 27.362 4.340 0.861 1.00 1.00 N ATOM 236 CA GLU A 18 28.604 5.056 1.127 1.00 1.00 C ATOM 237 C GLU A 18 29.706 4.083 1.536 1.00 1.00 C ATOM 238 O GLU A 18 29.798 3.689 2.698 1.00 1.00 O ATOM 239 CB GLU A 18 28.388 6.083 2.240 1.00 1.00 C ATOM 240 CG GLU A 18 29.738 6.659 2.673 1.00 1.00 C ATOM 241 CD GLU A 18 29.579 8.125 3.059 1.00 1.00 C ATOM 242 OE1 GLU A 18 29.259 8.916 2.187 1.00 1.00 O ATOM 243 OE2 GLU A 18 29.778 8.436 4.222 1.00 1.00 O ATOM 0 H GLU A 18 27.165 3.575 1.506 1.00 1.00 H new ATOM 0 HA GLU A 18 28.908 5.569 0.215 1.00 1.00 H new ATOM 0 HB2 GLU A 18 27.735 6.883 1.890 1.00 1.00 H new ATOM 0 HB3 GLU A 18 27.891 5.615 3.090 1.00 1.00 H new ATOM 0 HG2 GLU A 18 30.130 6.092 3.517 1.00 1.00 H new ATOM 0 HG3 GLU A 18 30.460 6.564 1.862 1.00 1.00 H new ATOM 250 N CYS A 19 30.537 3.700 0.573 1.00 1.00 N ATOM 251 CA CYS A 19 31.629 2.772 0.845 1.00 1.00 C ATOM 252 C CYS A 19 32.942 3.527 1.028 1.00 1.00 C ATOM 253 O CYS A 19 32.966 4.758 1.023 1.00 1.00 O ATOM 254 CB CYS A 19 31.768 1.777 -0.308 1.00 1.00 C ATOM 255 SG CYS A 19 31.691 2.664 -1.884 1.00 1.00 S ATOM 0 H CYS A 19 30.477 4.015 -0.395 1.00 1.00 H new ATOM 0 HA CYS A 19 31.402 2.233 1.765 1.00 1.00 H new ATOM 0 HB2 CYS A 19 32.713 1.240 -0.227 1.00 1.00 H new ATOM 0 HB3 CYS A 19 30.973 1.033 -0.258 1.00 1.00 H new ATOM 0 HG CYS A 19 31.811 1.819 -2.864 1.00 1.00 H new ATOM 261 N GLU A 20 34.030 2.782 1.189 1.00 1.00 N ATOM 262 CA GLU A 20 35.342 3.393 1.372 1.00 1.00 C ATOM 263 C GLU A 20 35.371 4.228 2.649 1.00 1.00 C ATOM 264 O GLU A 20 36.393 4.821 2.991 1.00 1.00 O ATOM 265 CB GLU A 20 35.678 4.281 0.172 1.00 1.00 C ATOM 266 CG GLU A 20 35.251 3.579 -1.118 1.00 1.00 C ATOM 267 CD GLU A 20 35.998 4.174 -2.307 1.00 1.00 C ATOM 268 OE1 GLU A 20 36.501 5.277 -2.174 1.00 1.00 O ATOM 269 OE2 GLU A 20 36.057 3.517 -3.333 1.00 1.00 O ATOM 0 H GLU A 20 34.031 1.762 1.197 1.00 1.00 H new ATOM 0 HA GLU A 20 36.083 2.598 1.454 1.00 1.00 H new ATOM 0 HB2 GLU A 20 35.169 5.240 0.262 1.00 1.00 H new ATOM 0 HB3 GLU A 20 36.748 4.489 0.148 1.00 1.00 H new ATOM 0 HG2 GLU A 20 35.457 2.511 -1.046 1.00 1.00 H new ATOM 0 HG3 GLU A 20 34.176 3.687 -1.262 1.00 1.00 H new ATOM 276 N TYR A 21 34.241 4.267 3.349 1.00 1.00 N ATOM 277 CA TYR A 21 34.148 5.033 4.586 1.00 1.00 C ATOM 278 C TYR A 21 33.399 4.240 5.652 1.00 1.00 C ATOM 279 O TYR A 21 33.708 4.333 6.840 1.00 1.00 O ATOM 280 CB TYR A 21 33.423 6.356 4.329 1.00 1.00 C ATOM 281 CG TYR A 21 32.973 6.947 5.644 1.00 1.00 C ATOM 282 CD1 TYR A 21 31.727 6.595 6.179 1.00 1.00 C ATOM 283 CD2 TYR A 21 33.800 7.846 6.327 1.00 1.00 C ATOM 284 CE1 TYR A 21 31.310 7.143 7.398 1.00 1.00 C ATOM 285 CE2 TYR A 21 33.382 8.393 7.546 1.00 1.00 C ATOM 286 CZ TYR A 21 32.137 8.042 8.081 1.00 1.00 C ATOM 287 OH TYR A 21 31.725 8.582 9.283 1.00 1.00 O ATOM 0 H TYR A 21 33.384 3.781 3.083 1.00 1.00 H new ATOM 0 HA TYR A 21 35.158 5.236 4.942 1.00 1.00 H new ATOM 0 HB2 TYR A 21 34.085 7.051 3.813 1.00 1.00 H new ATOM 0 HB3 TYR A 21 32.564 6.192 3.679 1.00 1.00 H new ATOM 0 HD1 TYR A 21 31.089 5.902 5.652 1.00 1.00 H new ATOM 0 HD2 TYR A 21 34.760 8.118 5.914 1.00 1.00 H new ATOM 0 HE1 TYR A 21 30.350 6.872 7.811 1.00 1.00 H new ATOM 0 HE2 TYR A 21 34.020 9.086 8.074 1.00 1.00 H new ATOM 0 HH TYR A 21 31.947 7.966 10.012 1.00 1.00 H new ATOM 297 N THR A 22 32.414 3.459 5.220 1.00 1.00 N ATOM 298 CA THR A 22 31.627 2.654 6.147 1.00 1.00 C ATOM 299 C THR A 22 32.322 1.325 6.426 1.00 1.00 C ATOM 300 O THR A 22 32.120 0.716 7.476 1.00 1.00 O ATOM 301 CB THR A 22 30.237 2.394 5.564 1.00 1.00 C ATOM 302 OG1 THR A 22 29.566 3.631 5.375 1.00 1.00 O ATOM 303 CG2 THR A 22 29.434 1.517 6.527 1.00 1.00 C ATOM 0 H THR A 22 32.143 3.367 4.241 1.00 1.00 H new ATOM 0 HA THR A 22 31.530 3.203 7.083 1.00 1.00 H new ATOM 0 HB THR A 22 30.334 1.883 4.606 1.00 1.00 H new ATOM 0 HG1 THR A 22 29.652 3.910 4.440 1.00 1.00 H new ATOM 0 HG21 THR A 22 28.444 1.332 6.111 1.00 1.00 H new ATOM 0 HG22 THR A 22 29.950 0.568 6.671 1.00 1.00 H new ATOM 0 HG23 THR A 22 29.335 2.026 7.486 1.00 1.00 H new ATOM 311 N ASP A 23 33.140 0.881 5.477 1.00 1.00 N ATOM 312 CA ASP A 23 33.858 -0.379 5.632 1.00 1.00 C ATOM 313 C ASP A 23 35.227 -0.143 6.262 1.00 1.00 C ATOM 314 O ASP A 23 36.151 -0.935 6.075 1.00 1.00 O ATOM 315 CB ASP A 23 34.031 -1.052 4.269 1.00 1.00 C ATOM 316 CG ASP A 23 34.110 -2.565 4.442 1.00 1.00 C ATOM 317 OD1 ASP A 23 35.042 -3.021 5.083 1.00 1.00 O ATOM 318 OD2 ASP A 23 33.236 -3.247 3.931 1.00 1.00 O ATOM 0 H ASP A 23 33.321 1.370 4.600 1.00 1.00 H new ATOM 0 HA ASP A 23 33.277 -1.028 6.287 1.00 1.00 H new ATOM 0 HB2 ASP A 23 33.195 -0.795 3.618 1.00 1.00 H new ATOM 0 HB3 ASP A 23 34.936 -0.685 3.785 1.00 1.00 H new ATOM 323 N TRP A 24 35.349 0.949 7.008 1.00 1.00 N ATOM 324 CA TRP A 24 36.611 1.278 7.663 1.00 1.00 C ATOM 325 C TRP A 24 37.133 0.082 8.457 1.00 1.00 C ATOM 326 O TRP A 24 37.689 -0.856 7.886 1.00 1.00 O ATOM 327 CB TRP A 24 36.424 2.486 8.588 1.00 1.00 C ATOM 328 CG TRP A 24 35.051 2.462 9.191 1.00 1.00 C ATOM 329 CD1 TRP A 24 34.323 1.348 9.434 1.00 1.00 C ATOM 330 CD2 TRP A 24 34.236 3.588 9.627 1.00 1.00 C ATOM 331 NE1 TRP A 24 33.113 1.719 9.993 1.00 1.00 N ATOM 332 CE2 TRP A 24 33.012 3.090 10.131 1.00 1.00 C ATOM 333 CE3 TRP A 24 34.438 4.980 9.633 1.00 1.00 C ATOM 334 CZ2 TRP A 24 32.023 3.941 10.625 1.00 1.00 C ATOM 335 CZ3 TRP A 24 33.445 5.841 10.129 1.00 1.00 C ATOM 336 CH2 TRP A 24 32.241 5.322 10.624 1.00 1.00 C ATOM 0 H TRP A 24 34.596 1.617 7.174 1.00 1.00 H new ATOM 0 HA TRP A 24 37.344 1.529 6.896 1.00 1.00 H new ATOM 0 HB2 TRP A 24 37.177 2.471 9.376 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.568 3.410 8.027 1.00 1.00 H new ATOM 0 HD1 TRP A 24 34.635 0.335 9.226 1.00 1.00 H new ATOM 0 HE1 TRP A 24 32.385 1.061 10.269 1.00 1.00 H new ATOM 0 HE3 TRP A 24 35.363 5.390 9.254 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 31.097 3.536 11.005 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 33.610 6.908 10.129 1.00 1.00 H new ATOM 0 HH2 TRP A 24 31.482 5.989 11.005 1.00 1.00 H new ATOM 347 N LYS A 25 36.953 0.118 9.775 1.00 1.00 N ATOM 348 CA LYS A 25 37.412 -0.973 10.627 1.00 1.00 C ATOM 349 C LYS A 25 36.905 -2.313 10.103 1.00 1.00 C ATOM 350 O LYS A 25 37.645 -3.058 9.459 1.00 1.00 O ATOM 351 CB LYS A 25 36.916 -0.762 12.059 1.00 1.00 C ATOM 352 CG LYS A 25 37.370 0.611 12.560 1.00 1.00 C ATOM 353 CD LYS A 25 36.154 1.523 12.727 1.00 1.00 C ATOM 354 CE LYS A 25 36.614 2.912 13.175 1.00 1.00 C ATOM 355 NZ LYS A 25 37.679 3.403 12.255 1.00 1.00 N ATOM 0 H LYS A 25 36.497 0.883 10.271 1.00 1.00 H new ATOM 0 HA LYS A 25 38.502 -0.982 10.618 1.00 1.00 H new ATOM 0 HB2 LYS A 25 35.829 -0.832 12.092 1.00 1.00 H new ATOM 0 HB3 LYS A 25 37.306 -1.545 12.709 1.00 1.00 H new ATOM 0 HG2 LYS A 25 37.893 0.508 13.511 1.00 1.00 H new ATOM 0 HG3 LYS A 25 38.074 1.052 11.855 1.00 1.00 H new ATOM 0 HD2 LYS A 25 35.608 1.595 11.786 1.00 1.00 H new ATOM 0 HD3 LYS A 25 35.468 1.101 13.462 1.00 1.00 H new ATOM 0 HE2 LYS A 25 35.771 3.603 13.175 1.00 1.00 H new ATOM 0 HE3 LYS A 25 36.992 2.870 14.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 37.743 4.439 12.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 38.591 2.982 12.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 37.447 3.131 11.278 1.00 1.00 H new ATOM 369 N SER A 26 35.641 -2.612 10.381 1.00 1.00 N ATOM 370 CA SER A 26 35.045 -3.864 9.931 1.00 1.00 C ATOM 371 C SER A 26 35.869 -5.055 10.412 1.00 1.00 C ATOM 372 O SER A 26 35.622 -6.194 10.017 1.00 1.00 O ATOM 373 CB SER A 26 34.962 -3.884 8.404 1.00 1.00 C ATOM 374 OG SER A 26 34.040 -4.886 7.997 1.00 1.00 O ATOM 0 H SER A 26 35.013 -2.009 10.912 1.00 1.00 H new ATOM 0 HA SER A 26 34.042 -3.937 10.351 1.00 1.00 H new ATOM 0 HB2 SER A 26 34.645 -2.909 8.033 1.00 1.00 H new ATOM 0 HB3 SER A 26 35.945 -4.083 7.977 1.00 1.00 H new ATOM 0 HG SER A 26 34.235 -5.722 8.470 1.00 1.00 H new ATOM 380 N SER A 27 36.850 -4.783 11.267 1.00 1.00 N ATOM 381 CA SER A 27 37.705 -5.839 11.795 1.00 1.00 C ATOM 382 C SER A 27 37.280 -6.215 13.211 1.00 1.00 C ATOM 383 O SER A 27 36.604 -7.223 13.421 1.00 1.00 O ATOM 384 CB SER A 27 39.162 -5.376 11.804 1.00 1.00 C ATOM 385 OG SER A 27 39.857 -5.994 10.728 1.00 1.00 O ATOM 0 H SER A 27 37.071 -3.847 11.607 1.00 1.00 H new ATOM 0 HA SER A 27 37.606 -6.715 11.154 1.00 1.00 H new ATOM 0 HB2 SER A 27 39.212 -4.291 11.709 1.00 1.00 H new ATOM 0 HB3 SER A 27 39.632 -5.635 12.753 1.00 1.00 H new ATOM 0 HG SER A 27 40.791 -5.698 10.729 1.00 1.00 H new ATOM 391 N GLY A 28 37.680 -5.398 14.179 1.00 1.00 N ATOM 392 CA GLY A 28 37.335 -5.653 15.573 1.00 1.00 C ATOM 393 C GLY A 28 37.856 -4.540 16.474 1.00 1.00 C ATOM 394 O GLY A 28 38.155 -4.765 17.647 1.00 1.00 O ATOM 0 H GLY A 28 38.240 -4.559 14.026 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.253 -5.733 15.675 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.756 -6.608 15.887 1.00 1.00 H new ATOM 398 N ALA A 29 37.964 -3.337 15.918 1.00 1.00 N ATOM 399 CA ALA A 29 38.451 -2.194 16.680 1.00 1.00 C ATOM 400 C ALA A 29 39.760 -2.537 17.385 1.00 1.00 C ATOM 401 O ALA A 29 39.757 -3.158 18.449 1.00 1.00 O ATOM 402 CB ALA A 29 37.408 -1.774 17.716 1.00 1.00 C ATOM 0 H ALA A 29 37.722 -3.130 14.949 1.00 1.00 H new ATOM 0 HA ALA A 29 38.629 -1.371 15.988 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.780 -0.919 18.281 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.483 -1.499 17.210 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.217 -2.604 18.397 1.00 1.00 H new ATOM 408 N LEU A 30 40.873 -2.130 16.785 1.00 1.00 N ATOM 409 CA LEU A 30 42.185 -2.398 17.363 1.00 1.00 C ATOM 410 C LEU A 30 42.764 -1.133 17.990 1.00 1.00 C ATOM 411 O LEU A 30 43.953 -0.860 17.858 1.00 1.00 O ATOM 412 CB LEU A 30 43.135 -2.913 16.280 1.00 1.00 C ATOM 413 CG LEU A 30 42.771 -4.355 15.923 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.821 -4.533 14.405 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.771 -5.309 16.581 1.00 1.00 C ATOM 0 H LEU A 30 40.894 -1.616 15.904 1.00 1.00 H new ATOM 0 HA LEU A 30 42.072 -3.155 18.139 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.070 -2.281 15.394 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.165 -2.864 16.632 1.00 1.00 H new ATOM 0 HG LEU A 30 41.766 -4.576 16.281 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.562 -5.561 14.150 1.00 1.00 H new ATOM 0 HD12 LEU A 30 42.111 -3.852 13.935 1.00 1.00 H new ATOM 0 HD13 LEU A 30 43.826 -4.313 14.046 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.513 -6.337 16.328 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.776 -5.088 16.221 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.737 -5.182 17.663 1.00 1.00 H new ATOM 427 N ILE A 31 41.906 -0.374 18.672 1.00 1.00 N ATOM 428 CA ILE A 31 42.315 0.870 19.335 1.00 1.00 C ATOM 429 C ILE A 31 41.082 1.639 19.813 1.00 1.00 C ATOM 430 O ILE A 31 41.083 2.192 20.913 1.00 1.00 O ATOM 431 CB ILE A 31 43.177 1.753 18.396 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.627 1.792 18.917 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.634 3.195 18.311 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.711 2.588 20.225 1.00 1.00 C ATOM 0 H ILE A 31 40.917 -0.599 18.782 1.00 1.00 H new ATOM 0 HA ILE A 31 42.928 0.610 20.198 1.00 1.00 H new ATOM 0 HB ILE A 31 43.140 1.315 17.399 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.988 0.776 19.080 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.276 2.245 18.167 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.265 3.783 17.644 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.615 3.178 17.925 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.639 3.645 19.304 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.743 2.603 20.576 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.371 3.609 20.052 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.079 2.118 20.978 1.00 1.00 H new ATOM 446 N PRO A 32 40.039 1.694 19.017 1.00 1.00 N ATOM 447 CA PRO A 32 38.791 2.426 19.386 1.00 1.00 C ATOM 448 C PRO A 32 38.068 1.769 20.558 1.00 1.00 C ATOM 449 O PRO A 32 37.162 2.354 21.150 1.00 1.00 O ATOM 450 CB PRO A 32 37.927 2.375 18.116 1.00 1.00 C ATOM 451 CG PRO A 32 38.830 1.904 17.020 1.00 1.00 C ATOM 452 CD PRO A 32 39.920 1.076 17.690 1.00 1.00 C ATOM 0 HA PRO A 32 39.005 3.444 19.712 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.084 1.697 18.245 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.514 3.357 17.886 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.280 1.307 16.293 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.259 2.748 16.480 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.643 0.024 17.759 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.859 1.123 17.138 1.00 1.00 H new ATOM 460 N ALA A 33 38.478 0.548 20.889 1.00 1.00 N ATOM 461 CA ALA A 33 37.864 -0.179 21.993 1.00 1.00 C ATOM 462 C ALA A 33 38.235 0.461 23.326 1.00 1.00 C ATOM 463 O ALA A 33 37.417 0.523 24.244 1.00 1.00 O ATOM 464 CB ALA A 33 38.326 -1.637 21.978 1.00 1.00 C ATOM 0 H ALA A 33 39.227 0.045 20.412 1.00 1.00 H new ATOM 0 HA ALA A 33 36.781 -0.140 21.873 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.863 -2.174 22.806 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.034 -2.101 21.036 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.410 -1.676 22.081 1.00 1.00 H new ATOM 470 N ILE A 34 39.473 0.935 23.425 1.00 1.00 N ATOM 471 CA ILE A 34 39.942 1.570 24.651 1.00 1.00 C ATOM 472 C ILE A 34 39.655 3.067 24.622 1.00 1.00 C ATOM 473 O ILE A 34 39.500 3.702 25.665 1.00 1.00 O ATOM 474 CB ILE A 34 41.446 1.341 24.817 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.692 -0.075 25.341 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.011 2.357 25.812 1.00 1.00 C ATOM 477 CD1 ILE A 34 40.982 -1.086 24.439 1.00 1.00 C ATOM 0 H ILE A 34 40.165 0.892 22.677 1.00 1.00 H new ATOM 0 HA ILE A 34 39.412 1.125 25.493 1.00 1.00 H new ATOM 0 HB ILE A 34 41.940 1.463 23.853 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.762 -0.283 25.367 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.325 -0.164 26.364 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.082 2.194 25.930 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.837 3.367 25.440 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.517 2.236 26.776 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.158 -2.094 24.814 1.00 1.00 H new ATOM 0 HD12 ILE A 34 39.911 -0.882 24.436 1.00 1.00 H new ATOM 0 HD13 ILE A 34 41.370 -1.003 23.424 1.00 1.00 H new ATOM 489 N TYR A 35 39.587 3.625 23.417 1.00 1.00 N ATOM 490 CA TYR A 35 39.318 5.050 23.259 1.00 1.00 C ATOM 491 C TYR A 35 37.896 5.379 23.702 1.00 1.00 C ATOM 492 O TYR A 35 37.651 6.418 24.315 1.00 1.00 O ATOM 493 CB TYR A 35 39.504 5.454 21.795 1.00 1.00 C ATOM 494 CG TYR A 35 40.172 6.806 21.725 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.446 7.964 22.034 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.516 6.904 21.348 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.064 9.217 21.966 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.135 8.158 21.280 1.00 1.00 C ATOM 499 CZ TYR A 35 41.409 9.315 21.590 1.00 1.00 C ATOM 500 OH TYR A 35 42.019 10.550 21.522 1.00 1.00 O ATOM 0 H TYR A 35 39.713 3.117 22.542 1.00 1.00 H new ATOM 0 HA TYR A 35 40.018 5.606 23.883 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.109 4.711 21.276 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.538 5.487 21.291 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.409 7.889 22.325 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.076 6.012 21.109 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.503 10.109 22.204 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.172 8.233 20.989 1.00 1.00 H new ATOM 0 HH TYR A 35 42.953 10.439 21.247 1.00 1.00 H new ATOM 510 N MET A 36 36.962 4.487 23.385 1.00 1.00 N ATOM 511 CA MET A 36 35.567 4.695 23.754 1.00 1.00 C ATOM 512 C MET A 36 35.338 4.333 25.218 1.00 1.00 C ATOM 513 O MET A 36 34.705 5.082 25.961 1.00 1.00 O ATOM 514 CB MET A 36 34.660 3.838 22.868 1.00 1.00 C ATOM 515 CG MET A 36 34.662 4.398 21.445 1.00 1.00 C ATOM 516 SD MET A 36 33.078 5.207 21.112 1.00 1.00 S ATOM 517 CE MET A 36 33.746 6.761 20.470 1.00 1.00 C ATOM 0 H MET A 36 37.144 3.621 22.878 1.00 1.00 H new ATOM 0 HA MET A 36 35.327 5.749 23.611 1.00 1.00 H new ATOM 0 HB2 MET A 36 35.008 2.805 22.864 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.645 3.831 23.266 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.478 5.110 21.324 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.830 3.595 20.727 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.925 7.424 20.197 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.358 7.238 21.235 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.357 6.559 19.591 1.00 1.00 H new ATOM 527 N LEU A 37 35.857 3.179 25.626 1.00 1.00 N ATOM 528 CA LEU A 37 35.702 2.726 27.003 1.00 1.00 C ATOM 529 C LEU A 37 35.896 3.885 27.978 1.00 1.00 C ATOM 530 O LEU A 37 35.458 3.821 29.126 1.00 1.00 O ATOM 531 CB LEU A 37 36.720 1.624 27.308 1.00 1.00 C ATOM 532 CG LEU A 37 35.987 0.353 27.746 1.00 1.00 C ATOM 533 CD1 LEU A 37 37.005 -0.762 27.996 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.204 0.622 29.036 1.00 1.00 C ATOM 0 H LEU A 37 36.385 2.545 25.027 1.00 1.00 H new ATOM 0 HA LEU A 37 34.693 2.333 27.123 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.326 1.420 26.425 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.401 1.952 28.093 1.00 1.00 H new ATOM 0 HG LEU A 37 35.295 0.050 26.960 1.00 1.00 H new ATOM 0 HD11 LEU A 37 36.484 -1.667 28.308 1.00 1.00 H new ATOM 0 HD12 LEU A 37 37.560 -0.960 27.079 1.00 1.00 H new ATOM 0 HD13 LEU A 37 37.697 -0.454 28.779 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.685 -0.286 29.342 1.00 1.00 H new ATOM 0 HD22 LEU A 37 35.893 0.929 29.823 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.476 1.415 28.861 1.00 1.00 H new ATOM 546 N VAL A 38 36.555 4.942 27.513 1.00 1.00 N ATOM 547 CA VAL A 38 36.801 6.108 28.356 1.00 1.00 C ATOM 548 C VAL A 38 35.754 7.188 28.098 1.00 1.00 C ATOM 549 O VAL A 38 35.385 7.937 29.003 1.00 1.00 O ATOM 550 CB VAL A 38 38.195 6.670 28.074 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.432 7.908 28.942 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.248 5.609 28.404 1.00 1.00 C ATOM 0 H VAL A 38 36.926 5.016 26.566 1.00 1.00 H new ATOM 0 HA VAL A 38 36.737 5.798 29.399 1.00 1.00 H new ATOM 0 HB VAL A 38 38.270 6.944 27.022 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.426 8.309 28.741 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.682 8.664 28.710 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.357 7.634 29.994 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.242 6.008 28.203 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.172 5.336 29.457 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.080 4.726 27.787 1.00 1.00 H new ATOM 562 N PHE A 39 35.280 7.265 26.858 1.00 1.00 N ATOM 563 CA PHE A 39 34.277 8.259 26.492 1.00 1.00 C ATOM 564 C PHE A 39 33.024 8.104 27.350 1.00 1.00 C ATOM 565 O PHE A 39 32.680 8.993 28.129 1.00 1.00 O ATOM 566 CB PHE A 39 33.908 8.109 25.016 1.00 1.00 C ATOM 567 CG PHE A 39 33.332 9.407 24.504 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.181 10.393 23.987 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.950 9.626 24.546 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.648 11.597 23.512 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.417 10.829 24.070 1.00 1.00 C ATOM 572 CZ PHE A 39 32.265 11.816 23.554 1.00 1.00 C ATOM 0 H PHE A 39 35.572 6.655 26.094 1.00 1.00 H new ATOM 0 HA PHE A 39 34.698 9.250 26.663 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.790 7.837 24.436 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.184 7.304 24.892 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.247 10.225 23.955 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.295 8.866 24.946 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.303 12.357 23.113 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.350 10.996 24.101 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.853 12.745 23.189 1.00 1.00 H new ATOM 582 N LEU A 40 32.349 6.969 27.203 1.00 1.00 N ATOM 583 CA LEU A 40 31.136 6.709 27.970 1.00 1.00 C ATOM 584 C LEU A 40 31.414 6.829 29.465 1.00 1.00 C ATOM 585 O LEU A 40 30.649 7.450 30.202 1.00 1.00 O ATOM 586 CB LEU A 40 30.588 5.307 27.668 1.00 1.00 C ATOM 587 CG LEU A 40 31.592 4.504 26.833 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.206 3.024 26.865 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.562 5.001 25.384 1.00 1.00 C ATOM 0 H LEU A 40 32.618 6.220 26.565 1.00 1.00 H new ATOM 0 HA LEU A 40 30.393 7.451 27.679 1.00 1.00 H new ATOM 0 HB2 LEU A 40 30.381 4.783 28.601 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.643 5.388 27.131 1.00 1.00 H new ATOM 0 HG LEU A 40 32.593 4.633 27.244 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.918 2.449 26.272 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.219 2.667 27.895 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.205 2.900 26.451 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.275 4.431 24.789 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.560 4.869 24.975 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.829 6.058 25.356 1.00 1.00 H new ATOM 601 N LEU A 41 32.515 6.228 29.903 1.00 1.00 N ATOM 602 CA LEU A 41 32.887 6.270 31.313 1.00 1.00 C ATOM 603 C LEU A 41 33.174 7.704 31.750 1.00 1.00 C ATOM 604 O LEU A 41 33.545 7.950 32.897 1.00 1.00 O ATOM 605 CB LEU A 41 34.131 5.406 31.548 1.00 1.00 C ATOM 606 CG LEU A 41 33.725 3.948 31.811 1.00 1.00 C ATOM 607 CD1 LEU A 41 33.011 3.826 33.163 1.00 1.00 C ATOM 608 CD2 LEU A 41 32.788 3.471 30.698 1.00 1.00 C ATOM 0 H LEU A 41 33.161 5.710 29.308 1.00 1.00 H new ATOM 0 HA LEU A 41 32.055 5.882 31.901 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.787 5.457 30.679 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.696 5.792 32.397 1.00 1.00 H new ATOM 0 HG LEU A 41 34.624 3.331 31.829 1.00 1.00 H new ATOM 0 HD11 LEU A 41 32.730 2.787 33.334 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.679 4.157 33.958 1.00 1.00 H new ATOM 0 HD13 LEU A 41 32.116 4.448 33.159 1.00 1.00 H new ATOM 0 HD21 LEU A 41 32.499 2.436 30.884 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.897 4.098 30.679 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.300 3.538 29.738 1.00 1.00 H new ATOM 620 N GLY A 42 33.001 8.645 30.826 1.00 1.00 N ATOM 621 CA GLY A 42 33.245 10.052 31.127 1.00 1.00 C ATOM 622 C GLY A 42 32.119 10.929 30.587 1.00 1.00 C ATOM 623 O GLY A 42 32.204 12.156 30.625 1.00 1.00 O ATOM 0 H GLY A 42 32.695 8.461 29.870 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.331 10.187 32.205 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.194 10.362 30.690 1.00 1.00 H new ATOM 627 N THR A 43 31.067 10.291 30.088 1.00 1.00 N ATOM 628 CA THR A 43 29.929 11.023 29.545 1.00 1.00 C ATOM 629 C THR A 43 28.619 10.349 29.939 1.00 1.00 C ATOM 630 O THR A 43 27.630 11.019 30.234 1.00 1.00 O ATOM 631 CB THR A 43 30.031 11.093 28.019 1.00 1.00 C ATOM 632 OG1 THR A 43 30.197 9.781 27.498 1.00 1.00 O ATOM 633 CG2 THR A 43 31.230 11.956 27.623 1.00 1.00 C ATOM 0 H THR A 43 30.978 9.276 30.048 1.00 1.00 H new ATOM 0 HA THR A 43 29.942 12.032 29.956 1.00 1.00 H new ATOM 0 HB THR A 43 29.121 11.535 27.614 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.038 9.402 27.829 1.00 1.00 H new ATOM 0 HG21 THR A 43 31.300 12.004 26.536 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.102 12.962 28.023 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.143 11.518 28.027 1.00 1.00 H new ATOM 641 N THR A 44 28.622 9.020 29.943 1.00 1.00 N ATOM 642 CA THR A 44 27.429 8.262 30.303 1.00 1.00 C ATOM 643 C THR A 44 27.549 7.715 31.722 1.00 1.00 C ATOM 644 O THR A 44 26.687 7.958 32.566 1.00 1.00 O ATOM 645 CB THR A 44 27.230 7.105 29.323 1.00 1.00 C ATOM 646 OG1 THR A 44 28.444 6.379 29.198 1.00 1.00 O ATOM 647 CG2 THR A 44 26.819 7.656 27.957 1.00 1.00 C ATOM 0 H THR A 44 29.432 8.448 29.703 1.00 1.00 H new ATOM 0 HA THR A 44 26.569 8.930 30.255 1.00 1.00 H new ATOM 0 HB THR A 44 26.448 6.443 29.695 1.00 1.00 H new ATOM 0 HG1 THR A 44 28.245 5.440 29.001 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.677 6.831 27.259 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.887 8.213 28.055 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.599 8.318 27.582 1.00 1.00 H new ATOM 655 N GLY A 45 28.623 6.976 31.976 1.00 1.00 N ATOM 656 CA GLY A 45 28.847 6.398 33.297 1.00 1.00 C ATOM 657 C GLY A 45 28.959 7.488 34.356 1.00 1.00 C ATOM 658 O GLY A 45 29.142 7.200 35.539 1.00 1.00 O ATOM 0 H GLY A 45 29.348 6.764 31.291 1.00 1.00 H new ATOM 0 HA2 GLY A 45 28.027 5.725 33.548 1.00 1.00 H new ATOM 0 HA3 GLY A 45 29.758 5.800 33.287 1.00 1.00 H new ATOM 662 N ASN A 46 28.851 8.740 33.924 1.00 1.00 N ATOM 663 CA ASN A 46 28.942 9.869 34.845 1.00 1.00 C ATOM 664 C ASN A 46 27.560 10.453 35.116 1.00 1.00 C ATOM 665 O ASN A 46 27.399 11.316 35.979 1.00 1.00 O ATOM 666 CB ASN A 46 29.847 10.951 34.253 1.00 1.00 C ATOM 667 CG ASN A 46 29.012 11.964 33.479 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.209 13.170 33.622 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.084 11.544 32.662 1.00 1.00 N ATOM 0 H ASN A 46 28.701 8.998 32.949 1.00 1.00 H new ATOM 0 HA ASN A 46 29.364 9.514 35.785 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.396 11.453 35.050 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.586 10.497 33.593 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.521 12.216 32.141 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.922 10.544 32.545 1.00 1.00 H new ATOM 676 N GLY A 47 26.565 9.975 34.374 1.00 1.00 N ATOM 677 CA GLY A 47 25.198 10.457 34.542 1.00 1.00 C ATOM 678 C GLY A 47 24.345 9.429 35.277 1.00 1.00 C ATOM 679 O GLY A 47 23.576 9.774 36.176 1.00 1.00 O ATOM 0 H GLY A 47 26.678 9.260 33.656 1.00 1.00 H new ATOM 0 HA2 GLY A 47 25.204 11.394 35.098 1.00 1.00 H new ATOM 0 HA3 GLY A 47 24.760 10.668 33.566 1.00 1.00 H new ATOM 683 N LEU A 48 24.482 8.165 34.890 1.00 1.00 N ATOM 684 CA LEU A 48 23.716 7.095 35.519 1.00 1.00 C ATOM 685 C LEU A 48 24.276 6.773 36.899 1.00 1.00 C ATOM 686 O LEU A 48 23.592 6.931 37.911 1.00 1.00 O ATOM 687 CB LEU A 48 23.755 5.841 34.644 1.00 1.00 C ATOM 688 CG LEU A 48 22.328 5.376 34.350 1.00 1.00 C ATOM 689 CD1 LEU A 48 22.368 4.139 33.451 1.00 1.00 C ATOM 690 CD2 LEU A 48 21.625 5.028 35.663 1.00 1.00 C ATOM 0 H LEU A 48 25.112 7.858 34.149 1.00 1.00 H new ATOM 0 HA LEU A 48 22.684 7.429 35.629 1.00 1.00 H new ATOM 0 HB2 LEU A 48 24.279 6.052 33.712 1.00 1.00 H new ATOM 0 HB3 LEU A 48 24.309 5.050 35.149 1.00 1.00 H new ATOM 0 HG LEU A 48 21.783 6.174 33.845 1.00 1.00 H new ATOM 0 HD11 LEU A 48 21.351 3.808 33.242 1.00 1.00 H new ATOM 0 HD12 LEU A 48 22.869 4.386 32.515 1.00 1.00 H new ATOM 0 HD13 LEU A 48 22.913 3.341 33.955 1.00 1.00 H new ATOM 0 HD21 LEU A 48 20.608 4.696 35.454 1.00 1.00 H new ATOM 0 HD22 LEU A 48 22.170 4.230 36.167 1.00 1.00 H new ATOM 0 HD23 LEU A 48 21.595 5.909 36.304 1.00 1.00 H new ATOM 702 N VAL A 49 25.524 6.320 36.934 1.00 1.00 N ATOM 703 CA VAL A 49 26.171 5.975 38.195 1.00 1.00 C ATOM 704 C VAL A 49 25.976 7.087 39.222 1.00 1.00 C ATOM 705 O VAL A 49 26.117 6.865 40.424 1.00 1.00 O ATOM 706 CB VAL A 49 27.667 5.752 37.968 1.00 1.00 C ATOM 707 CG1 VAL A 49 28.325 5.328 39.283 1.00 1.00 C ATOM 708 CG2 VAL A 49 27.865 4.653 36.921 1.00 1.00 C ATOM 0 H VAL A 49 26.106 6.183 36.108 1.00 1.00 H new ATOM 0 HA VAL A 49 25.717 5.060 38.575 1.00 1.00 H new ATOM 0 HB VAL A 49 28.123 6.677 37.615 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.391 5.169 39.122 1.00 1.00 H new ATOM 0 HG12 VAL A 49 28.184 6.110 40.029 1.00 1.00 H new ATOM 0 HG13 VAL A 49 27.870 4.403 39.636 1.00 1.00 H new ATOM 0 HG21 VAL A 49 28.931 4.493 36.758 1.00 1.00 H new ATOM 0 HG22 VAL A 49 27.409 3.728 37.274 1.00 1.00 H new ATOM 0 HG23 VAL A 49 27.396 4.954 35.984 1.00 1.00 H new ATOM 718 N LEU A 50 25.660 8.282 38.738 1.00 1.00 N ATOM 719 CA LEU A 50 25.457 9.423 39.623 1.00 1.00 C ATOM 720 C LEU A 50 23.991 9.538 40.030 1.00 1.00 C ATOM 721 O LEU A 50 23.670 10.115 41.068 1.00 1.00 O ATOM 722 CB LEU A 50 25.896 10.710 38.918 1.00 1.00 C ATOM 723 CG LEU A 50 27.426 10.837 38.966 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.899 11.117 40.398 1.00 1.00 C ATOM 725 CD2 LEU A 50 28.059 9.534 38.473 1.00 1.00 C ATOM 0 H LEU A 50 25.539 8.486 37.746 1.00 1.00 H new ATOM 0 HA LEU A 50 26.057 9.274 40.521 1.00 1.00 H new ATOM 0 HB2 LEU A 50 25.555 10.702 37.883 1.00 1.00 H new ATOM 0 HB3 LEU A 50 25.436 11.573 39.398 1.00 1.00 H new ATOM 0 HG LEU A 50 27.728 11.666 38.326 1.00 1.00 H new ATOM 0 HD11 LEU A 50 28.985 11.204 40.412 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.456 12.048 40.752 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.592 10.299 41.049 1.00 1.00 H new ATOM 0 HD21 LEU A 50 29.145 9.622 38.506 1.00 1.00 H new ATOM 0 HD22 LEU A 50 27.742 8.711 39.113 1.00 1.00 H new ATOM 0 HD23 LEU A 50 27.742 9.340 37.448 1.00 1.00 H new ATOM 737 N TRP A 51 23.106 8.985 39.208 1.00 1.00 N ATOM 738 CA TRP A 51 21.676 9.033 39.497 1.00 1.00 C ATOM 739 C TRP A 51 21.365 8.286 40.788 1.00 1.00 C ATOM 740 O TRP A 51 20.431 8.638 41.511 1.00 1.00 O ATOM 741 CB TRP A 51 20.889 8.413 38.341 1.00 1.00 C ATOM 742 CG TRP A 51 20.189 7.181 38.818 1.00 1.00 C ATOM 743 CD1 TRP A 51 20.796 6.011 39.122 1.00 1.00 C ATOM 744 CD2 TRP A 51 18.765 6.977 39.051 1.00 1.00 C ATOM 745 NE1 TRP A 51 19.836 5.100 39.526 1.00 1.00 N ATOM 746 CE2 TRP A 51 18.568 5.649 39.498 1.00 1.00 C ATOM 747 CE3 TRP A 51 17.637 7.806 38.918 1.00 1.00 C ATOM 748 CZ2 TRP A 51 17.297 5.161 39.804 1.00 1.00 C ATOM 749 CZ3 TRP A 51 16.355 7.318 39.225 1.00 1.00 C ATOM 750 CH2 TRP A 51 16.186 5.998 39.667 1.00 1.00 C ATOM 0 H TRP A 51 23.350 8.502 38.343 1.00 1.00 H new ATOM 0 HA TRP A 51 21.383 10.076 39.616 1.00 1.00 H new ATOM 0 HB2 TRP A 51 20.164 9.130 37.955 1.00 1.00 H new ATOM 0 HB3 TRP A 51 21.562 8.167 37.520 1.00 1.00 H new ATOM 0 HD1 TRP A 51 21.857 5.819 39.060 1.00 1.00 H new ATOM 0 HE1 TRP A 51 20.039 4.141 39.810 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.756 8.824 38.578 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 17.173 4.144 40.144 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 15.495 7.963 39.120 1.00 1.00 H new ATOM 0 HH2 TRP A 51 15.199 5.629 39.901 1.00 1.00 H new ATOM 761 N THR A 52 22.150 7.252 41.073 1.00 1.00 N ATOM 762 CA THR A 52 21.947 6.462 42.283 1.00 1.00 C ATOM 763 C THR A 52 22.297 7.279 43.522 1.00 1.00 C ATOM 764 O THR A 52 22.011 6.870 44.647 1.00 1.00 O ATOM 765 CB THR A 52 22.816 5.203 42.236 1.00 1.00 C ATOM 766 OG1 THR A 52 22.255 4.212 43.085 1.00 1.00 O ATOM 767 CG2 THR A 52 24.232 5.540 42.707 1.00 1.00 C ATOM 0 H THR A 52 22.927 6.943 40.488 1.00 1.00 H new ATOM 0 HA THR A 52 20.896 6.176 42.336 1.00 1.00 H new ATOM 0 HB THR A 52 22.857 4.826 41.214 1.00 1.00 H new ATOM 0 HG1 THR A 52 21.922 4.634 43.904 1.00 1.00 H new ATOM 0 HG21 THR A 52 24.850 4.643 42.673 1.00 1.00 H new ATOM 0 HG22 THR A 52 24.661 6.301 42.055 1.00 1.00 H new ATOM 0 HG23 THR A 52 24.195 5.917 43.729 1.00 1.00 H new ATOM 775 N VAL A 53 22.915 8.436 43.308 1.00 1.00 N ATOM 776 CA VAL A 53 23.298 9.303 44.417 1.00 1.00 C ATOM 777 C VAL A 53 22.127 10.185 44.835 1.00 1.00 C ATOM 778 O VAL A 53 21.787 10.264 46.016 1.00 1.00 O ATOM 779 CB VAL A 53 24.482 10.181 44.009 1.00 1.00 C ATOM 780 CG1 VAL A 53 24.987 10.957 45.226 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.607 9.298 43.465 1.00 1.00 C ATOM 0 H VAL A 53 23.160 8.793 42.384 1.00 1.00 H new ATOM 0 HA VAL A 53 23.586 8.677 45.261 1.00 1.00 H new ATOM 0 HB VAL A 53 24.164 10.883 43.238 1.00 1.00 H new ATOM 0 HG11 VAL A 53 25.831 11.582 44.934 1.00 1.00 H new ATOM 0 HG12 VAL A 53 24.186 11.586 45.614 1.00 1.00 H new ATOM 0 HG13 VAL A 53 25.305 10.256 45.998 1.00 1.00 H new ATOM 0 HG21 VAL A 53 26.451 9.923 43.174 1.00 1.00 H new ATOM 0 HG22 VAL A 53 25.924 8.596 44.236 1.00 1.00 H new ATOM 0 HG23 VAL A 53 25.248 8.745 42.597 1.00 1.00 H new ATOM 791 N PHE A 54 21.513 10.847 43.859 1.00 1.00 N ATOM 792 CA PHE A 54 20.380 11.722 44.138 1.00 1.00 C ATOM 793 C PHE A 54 19.185 10.911 44.627 1.00 1.00 C ATOM 794 O PHE A 54 18.116 11.461 44.895 1.00 1.00 O ATOM 795 CB PHE A 54 19.994 12.493 42.876 1.00 1.00 C ATOM 796 CG PHE A 54 20.532 13.901 42.961 1.00 1.00 C ATOM 797 CD1 PHE A 54 19.938 14.826 43.828 1.00 1.00 C ATOM 798 CD2 PHE A 54 21.625 14.283 42.174 1.00 1.00 C ATOM 799 CE1 PHE A 54 20.437 16.132 43.908 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.123 15.588 42.253 1.00 1.00 C ATOM 801 CZ PHE A 54 21.529 16.513 43.121 1.00 1.00 C ATOM 0 H PHE A 54 21.778 10.795 42.876 1.00 1.00 H new ATOM 0 HA PHE A 54 20.671 12.425 44.918 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.394 11.992 41.994 1.00 1.00 H new ATOM 0 HB3 PHE A 54 18.910 12.513 42.767 1.00 1.00 H new ATOM 0 HD1 PHE A 54 19.095 14.532 44.435 1.00 1.00 H new ATOM 0 HD2 PHE A 54 22.084 13.570 41.505 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.979 16.845 44.577 1.00 1.00 H new ATOM 0 HE2 PHE A 54 22.965 15.882 41.645 1.00 1.00 H new ATOM 0 HZ PHE A 54 21.914 17.520 43.183 1.00 1.00 H new ATOM 811 N ARG A 55 19.373 9.600 44.740 1.00 1.00 N ATOM 812 CA ARG A 55 18.301 8.722 45.198 1.00 1.00 C ATOM 813 C ARG A 55 18.415 8.475 46.699 1.00 1.00 C ATOM 814 O ARG A 55 17.576 8.926 47.477 1.00 1.00 O ATOM 815 CB ARG A 55 18.367 7.387 44.454 1.00 1.00 C ATOM 816 CG ARG A 55 17.742 7.544 43.066 1.00 1.00 C ATOM 817 CD ARG A 55 16.280 7.092 43.109 1.00 1.00 C ATOM 818 NE ARG A 55 15.538 7.876 44.089 1.00 1.00 N ATOM 819 CZ ARG A 55 15.032 9.064 43.776 1.00 1.00 C ATOM 820 NH1 ARG A 55 15.195 9.548 42.574 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.371 9.749 44.669 1.00 1.00 N ATOM 0 H ARG A 55 20.249 9.125 44.523 1.00 1.00 H new ATOM 0 HA ARG A 55 17.347 9.207 44.992 1.00 1.00 H new ATOM 0 HB2 ARG A 55 19.403 7.060 44.363 1.00 1.00 H new ATOM 0 HB3 ARG A 55 17.838 6.618 45.018 1.00 1.00 H new ATOM 0 HG2 ARG A 55 17.803 8.584 42.744 1.00 1.00 H new ATOM 0 HG3 ARG A 55 18.295 6.952 42.337 1.00 1.00 H new ATOM 0 HD2 ARG A 55 15.828 7.206 42.124 1.00 1.00 H new ATOM 0 HD3 ARG A 55 16.227 6.034 43.364 1.00 1.00 H new ATOM 0 HE ARG A 55 15.405 7.506 45.030 1.00 1.00 H new ATOM 0 HH11 ARG A 55 15.711 9.014 41.875 1.00 1.00 H new ATOM 0 HH12 ARG A 55 14.806 10.460 42.334 1.00 1.00 H new ATOM 0 HH21 ARG A 55 14.243 9.372 45.608 1.00 1.00 H new ATOM 0 HH22 ARG A 55 13.983 10.661 44.428 1.00 1.00 H new ATOM 835 N LYS A 56 19.461 7.758 47.098 1.00 1.00 N ATOM 836 CA LYS A 56 19.675 7.456 48.508 1.00 1.00 C ATOM 837 C LYS A 56 19.710 8.741 49.330 1.00 1.00 C ATOM 838 O LYS A 56 19.224 8.781 50.460 1.00 1.00 O ATOM 839 CB LYS A 56 20.990 6.697 48.687 1.00 1.00 C ATOM 840 CG LYS A 56 22.111 7.435 47.954 1.00 1.00 C ATOM 841 CD LYS A 56 23.416 6.648 48.092 1.00 1.00 C ATOM 842 CE LYS A 56 23.648 5.818 46.829 1.00 1.00 C ATOM 843 NZ LYS A 56 22.398 5.084 46.482 1.00 1.00 N ATOM 0 H LYS A 56 20.169 7.378 46.470 1.00 1.00 H new ATOM 0 HA LYS A 56 18.849 6.836 48.857 1.00 1.00 H new ATOM 0 HB2 LYS A 56 21.230 6.610 49.747 1.00 1.00 H new ATOM 0 HB3 LYS A 56 20.893 5.683 48.298 1.00 1.00 H new ATOM 0 HG2 LYS A 56 21.855 7.553 46.901 1.00 1.00 H new ATOM 0 HG3 LYS A 56 22.232 8.436 48.367 1.00 1.00 H new ATOM 0 HD2 LYS A 56 24.250 7.332 48.249 1.00 1.00 H new ATOM 0 HD3 LYS A 56 23.369 5.996 48.965 1.00 1.00 H new ATOM 0 HE2 LYS A 56 23.943 6.466 46.004 1.00 1.00 H new ATOM 0 HE3 LYS A 56 24.464 5.113 46.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 22.627 4.284 45.858 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 21.951 4.729 47.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 21.742 5.727 45.994 1.00 1.00 H new ATOM 857 N LYS A 57 20.289 9.790 48.754 1.00 1.00 N ATOM 858 CA LYS A 57 20.382 11.072 49.443 1.00 1.00 C ATOM 859 C LYS A 57 19.139 11.915 49.172 1.00 1.00 C ATOM 860 O LYS A 57 19.231 13.123 48.952 1.00 1.00 O ATOM 861 CB LYS A 57 21.627 11.828 48.975 1.00 1.00 C ATOM 862 CG LYS A 57 22.870 11.208 49.615 1.00 1.00 C ATOM 863 CD LYS A 57 24.035 11.260 48.625 1.00 1.00 C ATOM 864 CE LYS A 57 24.303 12.713 48.227 1.00 1.00 C ATOM 865 NZ LYS A 57 25.721 12.855 47.793 1.00 1.00 N ATOM 0 H LYS A 57 20.698 9.778 47.820 1.00 1.00 H new ATOM 0 HA LYS A 57 20.454 10.884 50.514 1.00 1.00 H new ATOM 0 HB2 LYS A 57 21.705 11.785 47.889 1.00 1.00 H new ATOM 0 HB3 LYS A 57 21.551 12.880 49.248 1.00 1.00 H new ATOM 0 HG2 LYS A 57 23.129 11.746 50.527 1.00 1.00 H new ATOM 0 HG3 LYS A 57 22.668 10.176 49.901 1.00 1.00 H new ATOM 0 HD2 LYS A 57 24.927 10.824 49.074 1.00 1.00 H new ATOM 0 HD3 LYS A 57 23.801 10.667 47.741 1.00 1.00 H new ATOM 0 HE2 LYS A 57 23.633 13.010 47.420 1.00 1.00 H new ATOM 0 HE3 LYS A 57 24.101 13.375 49.069 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 26.251 13.392 48.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 26.146 11.912 47.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 25.757 13.360 46.885 1.00 1.00 H new ATOM 879 N GLY A 58 17.977 11.269 49.191 1.00 1.00 N ATOM 880 CA GLY A 58 16.722 11.969 48.946 1.00 1.00 C ATOM 881 C GLY A 58 16.286 12.755 50.178 1.00 1.00 C ATOM 882 O GLY A 58 15.363 12.354 50.887 1.00 1.00 O ATOM 0 H GLY A 58 17.879 10.270 49.372 1.00 1.00 H new ATOM 0 HA2 GLY A 58 16.838 12.647 48.100 1.00 1.00 H new ATOM 0 HA3 GLY A 58 15.948 11.251 48.675 1.00 1.00 H new ATOM 886 N HIS A 59 16.957 13.874 50.426 1.00 1.00 N ATOM 887 CA HIS A 59 16.630 14.710 51.577 1.00 1.00 C ATOM 888 C HIS A 59 15.147 15.064 51.578 1.00 1.00 C ATOM 889 O HIS A 59 14.498 15.061 52.624 1.00 1.00 O ATOM 890 CB HIS A 59 17.463 15.992 51.543 1.00 1.00 C ATOM 891 CG HIS A 59 18.295 16.082 52.793 1.00 1.00 C ATOM 892 ND1 HIS A 59 17.806 16.630 53.970 1.00 1.00 N ATOM 893 CD2 HIS A 59 19.585 15.699 53.067 1.00 1.00 C ATOM 894 CE1 HIS A 59 18.788 16.561 54.888 1.00 1.00 C ATOM 895 NE2 HIS A 59 19.894 16.003 54.390 1.00 1.00 N ATOM 0 H HIS A 59 17.725 14.222 49.851 1.00 1.00 H new ATOM 0 HA HIS A 59 16.859 14.152 52.485 1.00 1.00 H new ATOM 0 HB2 HIS A 59 18.107 15.997 50.664 1.00 1.00 H new ATOM 0 HB3 HIS A 59 16.810 16.861 51.465 1.00 1.00 H new ATOM 0 HD2 HIS A 59 20.258 15.233 52.363 1.00 1.00 H new ATOM 0 HE1 HIS A 59 18.693 16.914 55.904 1.00 1.00 H new ATOM 0 HE2 HIS A 59 20.776 15.835 54.875 1.00 1.00 H new ATOM 903 N HIS A 60 14.615 15.369 50.398 1.00 1.00 N ATOM 904 CA HIS A 60 13.206 15.724 50.274 1.00 1.00 C ATOM 905 C HIS A 60 12.325 14.639 50.883 1.00 1.00 C ATOM 906 O HIS A 60 12.360 13.485 50.457 1.00 1.00 O ATOM 907 CB HIS A 60 12.843 15.913 48.800 1.00 1.00 C ATOM 908 CG HIS A 60 12.481 17.352 48.554 1.00 1.00 C ATOM 909 ND1 HIS A 60 13.432 18.309 48.236 1.00 1.00 N ATOM 910 CD2 HIS A 60 11.277 18.013 48.575 1.00 1.00 C ATOM 911 CE1 HIS A 60 12.792 19.482 48.080 1.00 1.00 C ATOM 912 NE2 HIS A 60 11.475 19.357 48.275 1.00 1.00 N ATOM 0 H HIS A 60 15.134 15.377 49.520 1.00 1.00 H new ATOM 0 HA HIS A 60 13.037 16.657 50.811 1.00 1.00 H new ATOM 0 HB2 HIS A 60 13.683 15.625 48.168 1.00 1.00 H new ATOM 0 HB3 HIS A 60 12.007 15.266 48.534 1.00 1.00 H new ATOM 0 HD2 HIS A 60 10.322 17.558 48.792 1.00 1.00 H new ATOM 0 HE1 HIS A 60 13.282 20.411 47.828 1.00 1.00 H new ATOM 0 HE2 HIS A 60 10.768 20.090 48.216 1.00 1.00 H new ATOM 920 N HIS A 61 11.534 15.017 51.882 1.00 1.00 N ATOM 921 CA HIS A 61 10.646 14.067 52.542 1.00 1.00 C ATOM 922 C HIS A 61 9.424 13.783 51.674 1.00 1.00 C ATOM 923 O HIS A 61 8.292 14.066 52.067 1.00 1.00 O ATOM 924 CB HIS A 61 10.195 14.625 53.893 1.00 1.00 C ATOM 925 CG HIS A 61 9.700 16.033 53.714 1.00 1.00 C ATOM 926 ND1 HIS A 61 8.619 16.338 52.902 1.00 1.00 N ATOM 927 CD2 HIS A 61 10.125 17.230 54.235 1.00 1.00 C ATOM 928 CE1 HIS A 61 8.433 17.670 52.956 1.00 1.00 C ATOM 929 NE2 HIS A 61 9.324 18.262 53.755 1.00 1.00 N ATOM 0 H HIS A 61 11.490 15.967 52.250 1.00 1.00 H new ATOM 0 HA HIS A 61 11.192 13.136 52.697 1.00 1.00 H new ATOM 0 HB2 HIS A 61 9.405 14.001 54.311 1.00 1.00 H new ATOM 0 HB3 HIS A 61 11.024 14.607 54.601 1.00 1.00 H new ATOM 0 HD1 HIS A 61 8.065 15.674 52.362 1.00 1.00 H new ATOM 0 HD2 HIS A 61 10.955 17.352 54.915 1.00 1.00 H new ATOM 0 HE1 HIS A 61 7.658 18.196 52.419 1.00 1.00 H new ATOM 937 N HIS A 62 9.662 13.222 50.493 1.00 1.00 N ATOM 938 CA HIS A 62 8.572 12.904 49.577 1.00 1.00 C ATOM 939 C HIS A 62 7.561 11.978 50.246 1.00 1.00 C ATOM 940 O HIS A 62 7.934 11.063 50.980 1.00 1.00 O ATOM 941 CB HIS A 62 9.126 12.232 48.319 1.00 1.00 C ATOM 942 CG HIS A 62 8.096 12.287 47.226 1.00 1.00 C ATOM 943 ND1 HIS A 62 7.620 11.145 46.602 1.00 1.00 N ATOM 944 CD2 HIS A 62 7.441 13.338 46.633 1.00 1.00 C ATOM 945 CE1 HIS A 62 6.719 11.532 45.679 1.00 1.00 C ATOM 946 NE2 HIS A 62 6.573 12.859 45.658 1.00 1.00 N ATOM 0 H HIS A 62 10.591 12.980 50.150 1.00 1.00 H new ATOM 0 HA HIS A 62 8.071 13.833 49.303 1.00 1.00 H new ATOM 0 HB2 HIS A 62 10.039 12.733 47.998 1.00 1.00 H new ATOM 0 HB3 HIS A 62 9.389 11.196 48.533 1.00 1.00 H new ATOM 0 HD2 HIS A 62 7.579 14.379 46.886 1.00 1.00 H new ATOM 0 HE1 HIS A 62 6.181 10.852 45.035 1.00 1.00 H new ATOM 0 HE2 HIS A 62 5.957 13.405 45.056 1.00 1.00 H new ATOM 954 N HIS A 63 6.281 12.223 49.989 1.00 1.00 N ATOM 955 CA HIS A 63 5.224 11.405 50.572 1.00 1.00 C ATOM 956 C HIS A 63 5.453 9.931 50.258 1.00 1.00 C ATOM 957 O HIS A 63 5.843 9.577 49.146 1.00 1.00 O ATOM 958 CB HIS A 63 3.864 11.841 50.024 1.00 1.00 C ATOM 959 CG HIS A 63 3.066 12.492 51.121 1.00 1.00 C ATOM 960 ND1 HIS A 63 2.515 13.757 50.982 1.00 1.00 N ATOM 961 CD2 HIS A 63 2.717 12.068 52.378 1.00 1.00 C ATOM 962 CE1 HIS A 63 1.871 14.046 52.127 1.00 1.00 C ATOM 963 NE2 HIS A 63 1.963 13.050 53.013 1.00 1.00 N ATOM 0 H HIS A 63 5.952 12.976 49.385 1.00 1.00 H new ATOM 0 HA HIS A 63 5.240 11.541 51.653 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.000 12.537 49.196 1.00 1.00 H new ATOM 0 HB3 HIS A 63 3.325 10.979 49.630 1.00 1.00 H new ATOM 0 HD2 HIS A 63 2.987 11.116 52.810 1.00 1.00 H new ATOM 0 HE1 HIS A 63 1.344 14.971 52.308 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.566 13.017 53.952 1.00 1.00 H new ATOM 971 N HIS A 64 5.206 9.075 51.245 1.00 1.00 N ATOM 972 CA HIS A 64 5.389 7.640 51.063 1.00 1.00 C ATOM 973 C HIS A 64 4.879 6.877 52.281 1.00 1.00 C ATOM 974 O HIS A 64 4.307 5.816 52.093 1.00 1.00 O ATOM 975 CB HIS A 64 6.869 7.324 50.843 1.00 1.00 C ATOM 976 CG HIS A 64 7.658 7.753 52.049 1.00 1.00 C ATOM 977 ND1 HIS A 64 7.525 9.013 52.611 1.00 1.00 N ATOM 978 CD2 HIS A 64 8.595 7.100 52.813 1.00 1.00 C ATOM 979 CE1 HIS A 64 8.359 9.079 53.664 1.00 1.00 C ATOM 980 NE2 HIS A 64 9.036 7.939 53.831 1.00 1.00 N ATOM 981 OXT HIS A 64 5.068 7.365 53.383 1.00 1.00 O ATOM 0 H HIS A 64 4.881 9.348 52.172 1.00 1.00 H new ATOM 0 HA HIS A 64 4.819 7.329 50.188 1.00 1.00 H new ATOM 0 HB2 HIS A 64 7.002 6.256 50.669 1.00 1.00 H new ATOM 0 HB3 HIS A 64 7.234 7.839 49.954 1.00 1.00 H new ATOM 0 HD2 HIS A 64 8.937 6.089 52.648 1.00 1.00 H new ATOM 0 HE1 HIS A 64 8.468 9.947 54.297 1.00 1.00 H new ATOM 0 HE2 HIS A 64 9.728 7.729 54.551 1.00 1.00 H new TER 989 HIS A 64