USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 463 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 8 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -172:sc= -0.321 (180deg=-0.455) USER MOD Single : A 4 TYR OH : rot -49:sc= 0.0472 USER MOD Single : A 10 TYR OH : rot 119:sc= 0.323 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.947 USER MOD Single : A 28 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.00099) USER MOD Single : A 43 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.7) USER MOD Single : A 48 MET CE :methyl -163:sc= 0 (180deg=-0.504) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00647 (180deg=-0.0961) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.669 23.408 28.712 1.00 30.78 N ATOM 2 CA VAL A 2 65.379 22.800 29.144 1.00 30.87 C ATOM 3 C VAL A 2 65.291 21.336 28.721 1.00 30.54 C ATOM 4 O VAL A 2 65.565 20.996 27.569 1.00 30.95 O ATOM 5 CB VAL A 2 64.164 23.569 28.574 1.00 30.89 C ATOM 6 CG1 VAL A 2 64.047 24.943 29.218 1.00 31.43 C ATOM 7 CG2 VAL A 2 64.255 23.692 27.058 1.00 33.03 C ATOM 0 HA VAL A 2 65.353 22.863 30.232 1.00 30.87 H new ATOM 0 HB VAL A 2 63.265 23.000 28.812 1.00 30.89 H new ATOM 0 HG11 VAL A 2 63.186 25.467 28.803 1.00 31.43 H new ATOM 0 HG12 VAL A 2 63.919 24.831 30.295 1.00 31.43 H new ATOM 0 HG13 VAL A 2 64.952 25.517 29.018 1.00 31.43 H new ATOM 0 HG21 VAL A 2 63.388 24.237 26.684 1.00 33.03 H new ATOM 0 HG22 VAL A 2 65.165 24.230 26.791 1.00 33.03 H new ATOM 0 HG23 VAL A 2 64.278 22.697 26.613 1.00 33.03 H new ATOM 19 N ASP A 3 64.903 20.473 29.659 1.00 30.12 N ATOM 20 CA ASP A 3 64.786 19.043 29.389 1.00 29.72 C ATOM 21 C ASP A 3 63.482 18.715 28.668 1.00 29.67 C ATOM 22 O ASP A 3 62.472 19.397 28.843 1.00 29.66 O ATOM 23 CB ASP A 3 64.874 18.244 30.692 1.00 29.23 C ATOM 24 CG ASP A 3 66.237 18.351 31.346 1.00 29.67 C ATOM 25 OD1 ASP A 3 67.157 17.624 30.919 1.00 29.24 O ATOM 26 OD2 ASP A 3 66.386 19.163 32.284 1.00 29.71 O ATOM 0 H ASP A 3 64.664 20.741 30.614 1.00 30.12 H new ATOM 0 HA ASP A 3 65.614 18.763 28.738 1.00 29.72 H new ATOM 0 HB2 ASP A 3 64.113 18.601 31.386 1.00 29.23 H new ATOM 0 HB3 ASP A 3 64.654 17.196 30.488 1.00 29.23 H new ATOM 31 N TYR A 4 63.519 17.655 27.868 1.00 29.32 N ATOM 32 CA TYR A 4 62.351 17.217 27.111 1.00 29.16 C ATOM 33 C TYR A 4 62.113 15.727 27.303 1.00 29.47 C ATOM 34 O TYR A 4 63.049 14.965 27.549 1.00 30.11 O ATOM 35 CB TYR A 4 62.525 17.527 25.622 1.00 29.28 C ATOM 36 CG TYR A 4 62.030 18.898 25.220 1.00 28.49 C ATOM 37 CD1 TYR A 4 62.712 20.047 25.601 1.00 28.74 C ATOM 38 CD2 TYR A 4 60.878 19.042 24.457 1.00 26.60 C ATOM 39 CE1 TYR A 4 62.261 21.299 25.233 1.00 29.38 C ATOM 40 CE2 TYR A 4 60.422 20.291 24.084 1.00 26.79 C ATOM 41 CZ TYR A 4 61.115 21.416 24.474 1.00 28.64 C ATOM 42 OH TYR A 4 60.666 22.663 24.104 1.00 30.05 O ATOM 0 H TYR A 4 64.350 17.080 27.726 1.00 29.32 H new ATOM 0 HA TYR A 4 61.485 17.762 27.486 1.00 29.16 H new ATOM 0 HB2 TYR A 4 63.581 17.443 25.364 1.00 29.28 H new ATOM 0 HB3 TYR A 4 61.994 16.774 25.040 1.00 29.28 H new ATOM 0 HD1 TYR A 4 63.610 19.959 26.195 1.00 28.74 H new ATOM 0 HD2 TYR A 4 60.330 18.163 24.151 1.00 26.60 H new ATOM 0 HE1 TYR A 4 62.803 22.182 25.538 1.00 29.38 H new ATOM 0 HE2 TYR A 4 59.526 20.385 23.489 1.00 26.79 H new ATOM 0 HH TYR A 4 60.645 23.249 24.889 1.00 30.05 H new ATOM 52 N ILE A 5 60.855 15.316 27.188 1.00 29.15 N ATOM 53 CA ILE A 5 60.494 13.914 27.339 1.00 29.28 C ATOM 54 C ILE A 5 59.845 13.405 26.058 1.00 29.81 C ATOM 55 O ILE A 5 58.860 13.971 25.581 1.00 30.57 O ATOM 56 CB ILE A 5 59.552 13.679 28.545 1.00 28.41 C ATOM 57 CG1 ILE A 5 59.322 12.178 28.756 1.00 28.15 C ATOM 58 CG2 ILE A 5 58.224 14.403 28.354 1.00 28.40 C ATOM 59 CD1 ILE A 5 58.565 11.850 30.025 1.00 27.84 C ATOM 0 H ILE A 5 60.069 15.935 26.991 1.00 29.15 H new ATOM 0 HA ILE A 5 61.411 13.357 27.532 1.00 29.28 H new ATOM 0 HB ILE A 5 60.031 14.088 29.435 1.00 28.41 H new ATOM 0 HG12 ILE A 5 58.772 11.780 27.903 1.00 28.15 H new ATOM 0 HG13 ILE A 5 60.287 11.671 28.778 1.00 28.15 H new ATOM 0 HG21 ILE A 5 57.583 14.220 29.216 1.00 28.40 H new ATOM 0 HG22 ILE A 5 58.404 15.474 28.256 1.00 28.40 H new ATOM 0 HG23 ILE A 5 57.735 14.034 27.453 1.00 28.40 H new ATOM 0 HD11 ILE A 5 58.441 10.770 30.106 1.00 27.84 H new ATOM 0 HD12 ILE A 5 59.123 12.216 30.887 1.00 27.84 H new ATOM 0 HD13 ILE A 5 57.585 12.327 29.998 1.00 27.84 H new ATOM 71 N VAL A 6 60.406 12.337 25.502 1.00 29.56 N ATOM 72 CA VAL A 6 59.897 11.766 24.264 1.00 29.47 C ATOM 73 C VAL A 6 58.482 11.233 24.441 1.00 29.89 C ATOM 74 O VAL A 6 58.198 10.487 25.378 1.00 29.99 O ATOM 75 CB VAL A 6 60.798 10.625 23.744 1.00 30.29 C ATOM 76 CG1 VAL A 6 60.332 10.165 22.370 1.00 31.15 C ATOM 77 CG2 VAL A 6 62.257 11.057 23.701 1.00 29.36 C ATOM 0 H VAL A 6 61.214 11.850 25.890 1.00 29.56 H new ATOM 0 HA VAL A 6 59.893 12.574 23.533 1.00 29.47 H new ATOM 0 HB VAL A 6 60.718 9.786 24.436 1.00 30.29 H new ATOM 0 HG11 VAL A 6 60.977 9.360 22.017 1.00 31.15 H new ATOM 0 HG12 VAL A 6 59.306 9.804 22.436 1.00 31.15 H new ATOM 0 HG13 VAL A 6 60.379 11.000 21.671 1.00 31.15 H new ATOM 0 HG21 VAL A 6 62.869 10.235 23.331 1.00 29.36 H new ATOM 0 HG22 VAL A 6 62.363 11.915 23.037 1.00 29.36 H new ATOM 0 HG23 VAL A 6 62.585 11.331 24.704 1.00 29.36 H new ATOM 87 N GLU A 7 57.600 11.636 23.538 1.00 30.09 N ATOM 88 CA GLU A 7 56.214 11.191 23.560 1.00 29.69 C ATOM 89 C GLU A 7 55.937 10.249 22.387 1.00 29.64 C ATOM 90 O GLU A 7 55.029 9.418 22.450 1.00 29.82 O ATOM 91 CB GLU A 7 55.265 12.394 23.511 1.00 29.23 C ATOM 92 CG GLU A 7 53.792 12.021 23.613 1.00 30.93 C ATOM 93 CD GLU A 7 53.446 11.350 24.929 1.00 33.77 C ATOM 94 OE1 GLU A 7 53.166 12.072 25.909 1.00 37.96 O ATOM 95 OE2 GLU A 7 53.455 10.101 24.980 1.00 33.85 O ATOM 0 H GLU A 7 57.822 12.276 22.775 1.00 30.09 H new ATOM 0 HA GLU A 7 56.040 10.649 24.490 1.00 29.69 H new ATOM 0 HB2 GLU A 7 55.515 13.075 24.325 1.00 29.23 H new ATOM 0 HB3 GLU A 7 55.429 12.936 22.580 1.00 29.23 H new ATOM 0 HG2 GLU A 7 53.185 12.919 23.498 1.00 30.93 H new ATOM 0 HG3 GLU A 7 53.533 11.354 22.791 1.00 30.93 H new ATOM 102 N TYR A 8 56.724 10.390 21.316 1.00 29.48 N ATOM 103 CA TYR A 8 56.579 9.553 20.130 1.00 29.39 C ATOM 104 C TYR A 8 57.940 9.029 19.683 1.00 29.65 C ATOM 105 O TYR A 8 58.933 9.759 19.704 1.00 29.97 O ATOM 106 CB TYR A 8 55.924 10.345 18.994 1.00 28.72 C ATOM 107 CG TYR A 8 54.652 11.056 19.404 1.00 28.86 C ATOM 108 CD1 TYR A 8 53.423 10.411 19.350 1.00 28.78 C ATOM 109 CD2 TYR A 8 54.682 12.373 19.850 1.00 27.36 C ATOM 110 CE1 TYR A 8 52.262 11.056 19.727 1.00 25.45 C ATOM 111 CE2 TYR A 8 53.525 13.024 20.229 1.00 26.64 C ATOM 112 CZ TYR A 8 52.318 12.364 20.166 1.00 25.68 C ATOM 113 OH TYR A 8 51.163 13.011 20.543 1.00 28.95 O ATOM 0 H TYR A 8 57.471 11.081 21.250 1.00 29.48 H new ATOM 0 HA TYR A 8 55.940 8.706 20.381 1.00 29.39 H new ATOM 0 HB2 TYR A 8 56.636 11.080 18.618 1.00 28.72 H new ATOM 0 HB3 TYR A 8 55.701 9.666 18.171 1.00 28.72 H new ATOM 0 HD1 TYR A 8 53.375 9.388 19.007 1.00 28.78 H new ATOM 0 HD2 TYR A 8 55.626 12.895 19.901 1.00 27.36 H new ATOM 0 HE1 TYR A 8 51.314 10.540 19.679 1.00 25.45 H new ATOM 0 HE2 TYR A 8 53.566 14.047 20.573 1.00 26.64 H new ATOM 0 HH TYR A 8 50.523 12.359 20.898 1.00 28.95 H new ATOM 123 N ASP A 9 57.981 7.761 19.279 1.00 29.76 N ATOM 124 CA ASP A 9 59.226 7.138 18.832 1.00 29.81 C ATOM 125 C ASP A 9 59.690 7.732 17.501 1.00 29.68 C ATOM 126 O ASP A 9 58.874 8.030 16.626 1.00 29.46 O ATOM 127 CB ASP A 9 59.053 5.619 18.701 1.00 30.13 C ATOM 128 CG ASP A 9 58.002 5.231 17.676 1.00 30.81 C ATOM 129 OD1 ASP A 9 56.814 5.136 18.049 1.00 30.72 O ATOM 130 OD2 ASP A 9 58.369 5.021 16.500 1.00 32.05 O ATOM 0 H ASP A 9 57.168 7.145 19.252 1.00 29.76 H new ATOM 0 HA ASP A 9 59.990 7.341 19.583 1.00 29.81 H new ATOM 0 HB2 ASP A 9 60.007 5.172 18.422 1.00 30.13 H new ATOM 0 HB3 ASP A 9 58.778 5.205 19.671 1.00 30.13 H new ATOM 135 N TYR A 10 61.004 7.902 17.358 1.00 29.78 N ATOM 136 CA TYR A 10 61.583 8.462 16.139 1.00 30.21 C ATOM 137 C TYR A 10 62.812 7.668 15.707 1.00 30.35 C ATOM 138 O TYR A 10 63.746 7.476 16.488 1.00 30.57 O ATOM 139 CB TYR A 10 61.954 9.931 16.355 1.00 31.02 C ATOM 140 CG TYR A 10 62.357 10.648 15.087 1.00 31.33 C ATOM 141 CD1 TYR A 10 61.453 10.820 14.046 1.00 32.60 C ATOM 142 CD2 TYR A 10 63.641 11.153 14.930 1.00 30.04 C ATOM 143 CE1 TYR A 10 61.816 11.475 12.886 1.00 31.19 C ATOM 144 CE2 TYR A 10 64.013 11.810 13.774 1.00 29.34 C ATOM 145 CZ TYR A 10 63.098 11.968 12.754 1.00 31.13 C ATOM 146 OH TYR A 10 63.467 12.623 11.600 1.00 33.98 O ATOM 0 H TYR A 10 61.689 7.659 18.074 1.00 29.78 H new ATOM 0 HA TYR A 10 60.837 8.398 15.347 1.00 30.21 H new ATOM 0 HB2 TYR A 10 61.105 10.449 16.801 1.00 31.02 H new ATOM 0 HB3 TYR A 10 62.774 9.988 17.071 1.00 31.02 H new ATOM 0 HD1 TYR A 10 60.449 10.435 14.146 1.00 32.60 H new ATOM 0 HD2 TYR A 10 64.361 11.030 15.726 1.00 30.04 H new ATOM 0 HE1 TYR A 10 61.101 11.601 12.087 1.00 31.19 H new ATOM 0 HE2 TYR A 10 65.015 12.198 13.669 1.00 29.34 H new ATOM 0 HH TYR A 10 63.727 13.543 11.815 1.00 33.98 H new ATOM 156 N ASP A 11 62.804 7.213 14.456 1.00 30.13 N ATOM 157 CA ASP A 11 63.911 6.432 13.912 1.00 30.20 C ATOM 158 C ASP A 11 65.043 7.335 13.430 1.00 30.27 C ATOM 159 O ASP A 11 64.861 8.142 12.516 1.00 30.27 O ATOM 160 CB ASP A 11 63.423 5.546 12.760 1.00 30.58 C ATOM 161 CG ASP A 11 64.537 4.707 12.159 1.00 33.58 C ATOM 162 OD1 ASP A 11 64.770 3.586 12.657 1.00 34.44 O ATOM 163 OD2 ASP A 11 65.176 5.174 11.192 1.00 36.69 O ATOM 0 H ASP A 11 62.040 7.373 13.799 1.00 30.13 H new ATOM 0 HA ASP A 11 64.297 5.800 14.712 1.00 30.20 H new ATOM 0 HB2 ASP A 11 62.632 4.889 13.121 1.00 30.58 H new ATOM 0 HB3 ASP A 11 62.986 6.174 11.983 1.00 30.58 H new ATOM 168 N ALA A 12 66.209 7.194 14.059 1.00 30.24 N ATOM 169 CA ALA A 12 67.380 7.980 13.693 1.00 30.06 C ATOM 170 C ALA A 12 67.947 7.522 12.354 1.00 30.11 C ATOM 171 O ALA A 12 68.583 6.470 12.262 1.00 30.10 O ATOM 172 CB ALA A 12 68.444 7.893 14.775 1.00 30.62 C ATOM 0 H ALA A 12 66.365 6.540 14.826 1.00 30.24 H new ATOM 0 HA ALA A 12 67.069 9.020 13.595 1.00 30.06 H new ATOM 0 HB1 ALA A 12 69.310 8.487 14.482 1.00 30.62 H new ATOM 0 HB2 ALA A 12 68.042 8.276 15.713 1.00 30.62 H new ATOM 0 HB3 ALA A 12 68.745 6.854 14.907 1.00 30.62 H new ATOM 178 N VAL A 13 67.703 8.319 11.320 1.00 29.95 N ATOM 179 CA VAL A 13 68.188 8.015 9.980 1.00 29.45 C ATOM 180 C VAL A 13 69.608 8.541 9.803 1.00 29.31 C ATOM 181 O VAL A 13 70.442 7.903 9.158 1.00 29.46 O ATOM 182 CB VAL A 13 67.276 8.627 8.891 1.00 29.06 C ATOM 183 CG1 VAL A 13 67.772 8.259 7.498 1.00 30.56 C ATOM 184 CG2 VAL A 13 65.833 8.179 9.083 1.00 29.65 C ATOM 0 H VAL A 13 67.169 9.185 11.386 1.00 29.95 H new ATOM 0 HA VAL A 13 68.178 6.931 9.866 1.00 29.45 H new ATOM 0 HB VAL A 13 67.314 9.712 8.989 1.00 29.06 H new ATOM 0 HG11 VAL A 13 67.115 8.701 6.749 1.00 30.56 H new ATOM 0 HG12 VAL A 13 68.785 8.638 7.361 1.00 30.56 H new ATOM 0 HG13 VAL A 13 67.772 7.175 7.386 1.00 30.56 H new ATOM 0 HG21 VAL A 13 65.208 8.621 8.307 1.00 29.65 H new ATOM 0 HG22 VAL A 13 65.778 7.092 9.018 1.00 29.65 H new ATOM 0 HG23 VAL A 13 65.479 8.503 10.062 1.00 29.65 H new ATOM 194 N HIS A 14 69.876 9.709 10.391 1.00 29.13 N ATOM 195 CA HIS A 14 71.194 10.328 10.311 1.00 28.39 C ATOM 196 C HIS A 14 72.083 9.862 11.463 1.00 29.24 C ATOM 197 O HIS A 14 71.629 9.153 12.365 1.00 29.61 O ATOM 198 CB HIS A 14 71.070 11.854 10.325 1.00 27.81 C ATOM 199 CG HIS A 14 70.397 12.413 9.109 1.00 25.07 C ATOM 200 ND1 HIS A 14 71.080 13.072 8.108 1.00 22.40 N ATOM 201 CD2 HIS A 14 69.095 12.409 8.734 1.00 23.14 C ATOM 202 CE1 HIS A 14 70.227 13.450 7.171 1.00 22.51 C ATOM 203 NE2 HIS A 14 69.018 13.060 7.527 1.00 22.51 N ATOM 0 H HIS A 14 69.193 10.244 10.928 1.00 29.13 H new ATOM 0 HA HIS A 14 71.656 10.021 9.373 1.00 28.39 H new ATOM 0 HB2 HIS A 14 70.511 12.156 11.211 1.00 27.81 H new ATOM 0 HB3 HIS A 14 72.065 12.290 10.412 1.00 27.81 H new ATOM 0 HD2 HIS A 14 68.272 11.975 9.282 1.00 23.14 H new ATOM 0 HE1 HIS A 14 70.477 13.987 6.268 1.00 22.51 H new ATOM 0 HE2 HIS A 14 68.164 13.217 6.992 1.00 22.51 H new ATOM 212 N ASP A 15 73.350 10.267 11.426 1.00 29.77 N ATOM 213 CA ASP A 15 74.308 9.891 12.464 1.00 30.43 C ATOM 214 C ASP A 15 74.164 10.787 13.690 1.00 30.50 C ATOM 215 O ASP A 15 74.406 10.349 14.816 1.00 31.20 O ATOM 216 CB ASP A 15 75.741 9.962 11.927 1.00 30.36 C ATOM 217 CG ASP A 15 75.987 8.982 10.794 1.00 32.92 C ATOM 218 OD1 ASP A 15 75.724 9.345 9.628 1.00 32.02 O ATOM 219 OD2 ASP A 15 76.445 7.855 11.073 1.00 35.80 O ATOM 0 H ASP A 15 73.738 10.856 10.689 1.00 29.77 H new ATOM 0 HA ASP A 15 74.094 8.864 12.760 1.00 30.43 H new ATOM 0 HB2 ASP A 15 75.945 10.974 11.578 1.00 30.36 H new ATOM 0 HB3 ASP A 15 76.440 9.758 12.738 1.00 30.36 H new ATOM 224 N ASP A 16 73.770 12.042 13.467 1.00 30.30 N ATOM 225 CA ASP A 16 73.580 12.994 14.557 1.00 30.17 C ATOM 226 C ASP A 16 72.096 13.120 14.914 1.00 30.41 C ATOM 227 O ASP A 16 71.693 14.072 15.584 1.00 30.40 O ATOM 228 CB ASP A 16 74.149 14.363 14.169 1.00 30.03 C ATOM 229 CG ASP A 16 75.649 14.326 13.951 1.00 31.37 C ATOM 230 OD1 ASP A 16 76.078 14.065 12.806 1.00 32.58 O ATOM 231 OD2 ASP A 16 76.397 14.559 14.924 1.00 32.50 O ATOM 0 H ASP A 16 73.577 12.421 12.540 1.00 30.30 H new ATOM 0 HA ASP A 16 74.114 12.625 15.433 1.00 30.17 H new ATOM 0 HB2 ASP A 16 73.661 14.711 13.259 1.00 30.03 H new ATOM 0 HB3 ASP A 16 73.916 15.085 14.952 1.00 30.03 H new ATOM 236 N GLU A 17 71.289 12.151 14.469 1.00 29.99 N ATOM 237 CA GLU A 17 69.859 12.147 14.744 1.00 30.29 C ATOM 238 C GLU A 17 69.564 11.257 15.947 1.00 30.27 C ATOM 239 O GLU A 17 69.958 10.089 15.975 1.00 30.41 O ATOM 240 CB GLU A 17 69.088 11.661 13.512 1.00 30.81 C ATOM 241 CG GLU A 17 67.598 11.953 13.565 1.00 31.61 C ATOM 242 CD GLU A 17 66.930 11.796 12.211 1.00 33.47 C ATOM 243 OE1 GLU A 17 67.053 12.720 11.378 1.00 33.82 O ATOM 244 OE2 GLU A 17 66.285 10.753 11.983 1.00 36.11 O ATOM 0 H GLU A 17 71.610 11.358 13.914 1.00 29.99 H new ATOM 0 HA GLU A 17 69.536 13.162 14.975 1.00 30.29 H new ATOM 0 HB2 GLU A 17 69.509 12.131 12.623 1.00 30.81 H new ATOM 0 HB3 GLU A 17 69.234 10.586 13.404 1.00 30.81 H new ATOM 0 HG2 GLU A 17 67.124 11.282 14.281 1.00 31.61 H new ATOM 0 HG3 GLU A 17 67.442 12.969 13.929 1.00 31.61 H new ATOM 251 N LEU A 18 68.879 11.813 16.943 1.00 30.14 N ATOM 252 CA LEU A 18 68.550 11.064 18.151 1.00 30.21 C ATOM 253 C LEU A 18 67.344 10.161 17.924 1.00 30.38 C ATOM 254 O LEU A 18 66.331 10.587 17.363 1.00 30.74 O ATOM 255 CB LEU A 18 68.288 12.010 19.328 1.00 30.00 C ATOM 256 CG LEU A 18 69.539 12.648 19.943 1.00 30.27 C ATOM 257 CD1 LEU A 18 69.168 13.536 21.120 1.00 28.58 C ATOM 258 CD2 LEU A 18 70.534 11.580 20.377 1.00 28.44 C ATOM 0 H LEU A 18 68.542 12.776 16.937 1.00 30.14 H new ATOM 0 HA LEU A 18 69.408 10.438 18.394 1.00 30.21 H new ATOM 0 HB2 LEU A 18 67.621 12.805 18.993 1.00 30.00 H new ATOM 0 HB3 LEU A 18 67.761 11.458 20.106 1.00 30.00 H new ATOM 0 HG LEU A 18 70.011 13.267 19.180 1.00 30.27 H new ATOM 0 HD11 LEU A 18 70.071 13.978 21.541 1.00 28.58 H new ATOM 0 HD12 LEU A 18 68.500 14.328 20.782 1.00 28.58 H new ATOM 0 HD13 LEU A 18 68.667 12.939 21.882 1.00 28.58 H new ATOM 0 HD21 LEU A 18 71.413 12.057 20.810 1.00 28.44 H new ATOM 0 HD22 LEU A 18 70.070 10.931 21.120 1.00 28.44 H new ATOM 0 HD23 LEU A 18 70.832 10.987 19.512 1.00 28.44 H new ATOM 270 N THR A 19 67.465 8.909 18.363 1.00 30.23 N ATOM 271 CA THR A 19 66.386 7.933 18.216 1.00 29.85 C ATOM 272 C THR A 19 65.420 8.018 19.401 1.00 30.16 C ATOM 273 O THR A 19 65.166 7.023 20.085 1.00 30.81 O ATOM 274 CB THR A 19 66.936 6.491 18.107 1.00 28.87 C ATOM 275 OG1 THR A 19 68.060 6.456 17.221 1.00 30.34 O ATOM 276 CG2 THR A 19 65.866 5.534 17.601 1.00 27.27 C ATOM 0 H THR A 19 68.300 8.546 18.824 1.00 30.23 H new ATOM 0 HA THR A 19 65.856 8.173 17.294 1.00 29.85 H new ATOM 0 HB THR A 19 67.245 6.176 19.103 1.00 28.87 H new ATOM 0 HG1 THR A 19 68.401 5.539 17.161 1.00 30.34 H new ATOM 0 HG21 THR A 19 66.280 4.528 17.534 1.00 27.27 H new ATOM 0 HG22 THR A 19 65.022 5.534 18.291 1.00 27.27 H new ATOM 0 HG23 THR A 19 65.529 5.854 16.615 1.00 27.27 H new ATOM 284 N ILE A 20 64.889 9.219 19.644 1.00 30.01 N ATOM 285 CA ILE A 20 63.959 9.455 20.746 1.00 29.56 C ATOM 286 C ILE A 20 62.834 8.425 20.793 1.00 29.93 C ATOM 287 O ILE A 20 62.067 8.275 19.844 1.00 30.39 O ATOM 288 CB ILE A 20 63.343 10.872 20.681 1.00 29.12 C ATOM 289 CG1 ILE A 20 62.774 11.159 19.286 1.00 29.01 C ATOM 290 CG2 ILE A 20 64.377 11.920 21.066 1.00 26.69 C ATOM 291 CD1 ILE A 20 61.987 12.449 19.210 1.00 23.44 C ATOM 0 H ILE A 20 65.091 10.048 19.086 1.00 30.01 H new ATOM 0 HA ILE A 20 64.552 9.360 21.656 1.00 29.56 H new ATOM 0 HB ILE A 20 62.521 10.919 21.396 1.00 29.12 H new ATOM 0 HG12 ILE A 20 63.594 11.200 18.569 1.00 29.01 H new ATOM 0 HG13 ILE A 20 62.130 10.332 18.987 1.00 29.01 H new ATOM 0 HG21 ILE A 20 63.927 12.911 21.015 1.00 26.69 H new ATOM 0 HG22 ILE A 20 64.725 11.732 22.082 1.00 26.69 H new ATOM 0 HG23 ILE A 20 65.221 11.869 20.378 1.00 26.69 H new ATOM 0 HD11 ILE A 20 61.614 12.589 18.195 1.00 23.44 H new ATOM 0 HD12 ILE A 20 61.146 12.404 19.902 1.00 23.44 H new ATOM 0 HD13 ILE A 20 62.633 13.285 19.478 1.00 23.44 H new ATOM 303 N ARG A 21 62.756 7.717 21.915 1.00 29.61 N ATOM 304 CA ARG A 21 61.730 6.706 22.133 1.00 29.35 C ATOM 305 C ARG A 21 60.800 7.165 23.250 1.00 29.47 C ATOM 306 O ARG A 21 61.266 7.668 24.273 1.00 29.56 O ATOM 307 CB ARG A 21 62.375 5.368 22.500 1.00 28.81 C ATOM 308 CG ARG A 21 61.375 4.259 22.787 1.00 27.09 C ATOM 309 CD ARG A 21 62.019 3.120 23.562 1.00 24.85 C ATOM 310 NE ARG A 21 62.495 3.552 24.878 1.00 22.16 N ATOM 311 CZ ARG A 21 63.476 2.951 25.556 1.00 21.44 C ATOM 312 NH1 ARG A 21 64.088 1.880 25.056 1.00 18.82 N ATOM 313 NH2 ARG A 21 63.846 3.422 26.743 1.00 20.39 N ATOM 0 H ARG A 21 63.401 7.828 22.697 1.00 29.61 H new ATOM 0 HA ARG A 21 61.156 6.572 21.216 1.00 29.35 H new ATOM 0 HB2 ARG A 21 63.026 5.054 21.684 1.00 28.81 H new ATOM 0 HB3 ARG A 21 63.007 5.509 23.377 1.00 28.81 H new ATOM 0 HG2 ARG A 21 60.537 4.661 23.356 1.00 27.09 H new ATOM 0 HG3 ARG A 21 60.970 3.880 21.849 1.00 27.09 H new ATOM 0 HD2 ARG A 21 61.298 2.312 23.685 1.00 24.85 H new ATOM 0 HD3 ARG A 21 62.854 2.718 22.988 1.00 24.85 H new ATOM 0 HE ARG A 21 62.048 4.364 25.304 1.00 22.16 H new ATOM 0 HH11 ARG A 21 63.809 1.511 24.147 1.00 18.82 H new ATOM 0 HH12 ARG A 21 64.836 1.428 25.582 1.00 18.82 H new ATOM 0 HH21 ARG A 21 63.381 4.241 27.134 1.00 20.39 H new ATOM 0 HH22 ARG A 21 64.595 2.964 27.262 1.00 20.39 H new ATOM 327 N VAL A 22 59.491 6.991 23.057 1.00 29.39 N ATOM 328 CA VAL A 22 58.498 7.409 24.051 1.00 29.82 C ATOM 329 C VAL A 22 58.929 7.042 25.469 1.00 30.17 C ATOM 330 O VAL A 22 59.171 5.871 25.771 1.00 30.31 O ATOM 331 CB VAL A 22 57.114 6.777 23.778 1.00 30.17 C ATOM 332 CG1 VAL A 22 56.057 7.380 24.695 1.00 31.46 C ATOM 333 CG2 VAL A 22 56.716 6.942 22.318 1.00 29.01 C ATOM 0 H VAL A 22 59.093 6.563 22.221 1.00 29.39 H new ATOM 0 HA VAL A 22 58.423 8.493 23.965 1.00 29.82 H new ATOM 0 HB VAL A 22 57.184 5.710 23.989 1.00 30.17 H new ATOM 0 HG11 VAL A 22 55.090 6.922 24.487 1.00 31.46 H new ATOM 0 HG12 VAL A 22 56.329 7.196 25.734 1.00 31.46 H new ATOM 0 HG13 VAL A 22 55.994 8.454 24.521 1.00 31.46 H new ATOM 0 HG21 VAL A 22 55.739 6.488 22.154 1.00 29.01 H new ATOM 0 HG22 VAL A 22 56.670 8.003 22.071 1.00 29.01 H new ATOM 0 HG23 VAL A 22 57.454 6.453 21.682 1.00 29.01 H new ATOM 343 N GLY A 23 59.023 8.053 26.334 1.00 30.09 N ATOM 344 CA GLY A 23 59.412 7.825 27.713 1.00 30.09 C ATOM 345 C GLY A 23 60.826 8.280 28.035 1.00 30.28 C ATOM 346 O GLY A 23 61.159 8.462 29.207 1.00 30.60 O ATOM 0 H GLY A 23 58.835 9.028 26.100 1.00 30.09 H new ATOM 0 HA2 GLY A 23 58.714 8.347 28.368 1.00 30.09 H new ATOM 0 HA3 GLY A 23 59.323 6.761 27.935 1.00 30.09 H new ATOM 350 N GLU A 24 61.662 8.468 27.012 1.00 30.33 N ATOM 351 CA GLU A 24 63.044 8.891 27.226 1.00 30.48 C ATOM 352 C GLU A 24 63.138 10.394 27.472 1.00 30.44 C ATOM 353 O GLU A 24 62.353 11.173 26.934 1.00 31.01 O ATOM 354 CB GLU A 24 63.920 8.504 26.030 1.00 30.44 C ATOM 355 CG GLU A 24 64.003 7.003 25.795 1.00 31.30 C ATOM 356 CD GLU A 24 65.101 6.620 24.820 1.00 34.49 C ATOM 357 OE1 GLU A 24 65.035 7.049 23.647 1.00 35.80 O ATOM 358 OE2 GLU A 24 66.026 5.888 25.228 1.00 33.15 O ATOM 0 H GLU A 24 61.407 8.335 26.034 1.00 30.33 H new ATOM 0 HA GLU A 24 63.407 8.376 28.116 1.00 30.48 H new ATOM 0 HB2 GLU A 24 63.527 8.982 25.133 1.00 30.44 H new ATOM 0 HB3 GLU A 24 64.926 8.895 26.185 1.00 30.44 H new ATOM 0 HG2 GLU A 24 64.177 6.500 26.746 1.00 31.30 H new ATOM 0 HG3 GLU A 24 63.046 6.646 25.416 1.00 31.30 H new ATOM 365 N ILE A 25 64.107 10.787 28.297 1.00 29.91 N ATOM 366 CA ILE A 25 64.324 12.194 28.619 1.00 29.69 C ATOM 367 C ILE A 25 65.642 12.677 28.021 1.00 29.98 C ATOM 368 O ILE A 25 66.691 12.062 28.230 1.00 30.38 O ATOM 369 CB ILE A 25 64.338 12.437 30.148 1.00 29.62 C ATOM 370 CG1 ILE A 25 62.997 12.035 30.773 1.00 29.46 C ATOM 371 CG2 ILE A 25 64.648 13.896 30.458 1.00 29.30 C ATOM 372 CD1 ILE A 25 62.857 10.548 31.020 1.00 30.29 C ATOM 0 H ILE A 25 64.756 10.147 28.755 1.00 29.91 H new ATOM 0 HA ILE A 25 63.495 12.756 28.189 1.00 29.69 H new ATOM 0 HB ILE A 25 65.122 11.816 30.582 1.00 29.62 H new ATOM 0 HG12 ILE A 25 62.875 12.564 31.718 1.00 29.46 H new ATOM 0 HG13 ILE A 25 62.189 12.362 30.118 1.00 29.46 H new ATOM 0 HG21 ILE A 25 64.653 14.045 31.538 1.00 29.30 H new ATOM 0 HG22 ILE A 25 65.626 14.155 30.051 1.00 29.30 H new ATOM 0 HG23 ILE A 25 63.887 14.533 30.007 1.00 29.30 H new ATOM 0 HD11 ILE A 25 61.883 10.343 31.463 1.00 30.29 H new ATOM 0 HD12 ILE A 25 62.946 10.012 30.075 1.00 30.29 H new ATOM 0 HD13 ILE A 25 63.642 10.217 31.700 1.00 30.29 H new ATOM 384 N ILE A 26 65.583 13.780 27.278 1.00 29.87 N ATOM 385 CA ILE A 26 66.777 14.340 26.654 1.00 29.43 C ATOM 386 C ILE A 26 67.361 15.449 27.528 1.00 29.27 C ATOM 387 O ILE A 26 66.680 16.427 27.844 1.00 29.24 O ATOM 388 CB ILE A 26 66.496 14.892 25.237 1.00 29.75 C ATOM 389 CG1 ILE A 26 65.870 13.815 24.341 1.00 29.52 C ATOM 390 CG2 ILE A 26 67.785 15.407 24.613 1.00 30.89 C ATOM 391 CD1 ILE A 26 64.391 13.600 24.583 1.00 32.07 C ATOM 0 H ILE A 26 64.725 14.301 27.095 1.00 29.87 H new ATOM 0 HA ILE A 26 67.496 13.527 26.557 1.00 29.43 H new ATOM 0 HB ILE A 26 65.787 15.715 25.326 1.00 29.75 H new ATOM 0 HG12 ILE A 26 66.021 14.091 23.298 1.00 29.52 H new ATOM 0 HG13 ILE A 26 66.395 12.873 24.501 1.00 29.52 H new ATOM 0 HG21 ILE A 26 67.577 15.794 23.615 1.00 30.89 H new ATOM 0 HG22 ILE A 26 68.196 16.204 25.233 1.00 30.89 H new ATOM 0 HG23 ILE A 26 68.506 14.593 24.543 1.00 30.89 H new ATOM 0 HD11 ILE A 26 64.022 12.824 23.912 1.00 32.07 H new ATOM 0 HD12 ILE A 26 64.232 13.292 25.616 1.00 32.07 H new ATOM 0 HD13 ILE A 26 63.853 14.529 24.395 1.00 32.07 H new ATOM 403 N ARG A 27 68.624 15.283 27.919 1.00 28.99 N ATOM 404 CA ARG A 27 69.300 16.254 28.776 1.00 29.24 C ATOM 405 C ARG A 27 69.678 17.522 28.018 1.00 29.28 C ATOM 406 O ARG A 27 70.320 17.463 26.968 1.00 29.72 O ATOM 407 CB ARG A 27 70.553 15.632 29.401 1.00 28.90 C ATOM 408 CG ARG A 27 70.259 14.628 30.507 1.00 28.44 C ATOM 409 CD ARG A 27 69.436 15.248 31.630 1.00 27.70 C ATOM 410 NE ARG A 27 70.042 16.474 32.154 1.00 24.46 N ATOM 411 CZ ARG A 27 69.487 17.241 33.096 1.00 23.71 C ATOM 412 NH1 ARG A 27 68.322 16.903 33.642 1.00 22.46 N ATOM 413 NH2 ARG A 27 70.102 18.348 33.496 1.00 19.02 N ATOM 0 H ARG A 27 69.200 14.484 27.655 1.00 28.99 H new ATOM 0 HA ARG A 27 68.598 16.532 29.562 1.00 29.24 H new ATOM 0 HB2 ARG A 27 71.130 15.138 28.619 1.00 28.90 H new ATOM 0 HB3 ARG A 27 71.179 16.428 29.804 1.00 28.90 H new ATOM 0 HG2 ARG A 27 69.722 13.776 30.091 1.00 28.44 H new ATOM 0 HG3 ARG A 27 71.197 14.247 30.911 1.00 28.44 H new ATOM 0 HD2 ARG A 27 68.434 15.469 31.263 1.00 27.70 H new ATOM 0 HD3 ARG A 27 69.327 14.525 32.439 1.00 27.70 H new ATOM 0 HE ARG A 27 70.945 16.760 31.776 1.00 24.46 H new ATOM 0 HH11 ARG A 27 67.846 16.052 33.342 1.00 22.46 H new ATOM 0 HH12 ARG A 27 67.905 17.494 34.361 1.00 22.46 H new ATOM 0 HH21 ARG A 27 70.997 18.612 33.084 1.00 19.02 H new ATOM 0 HH22 ARG A 27 69.679 18.935 34.215 1.00 19.02 H new ATOM 427 N ASN A 28 69.276 18.671 28.569 1.00 28.86 N ATOM 428 CA ASN A 28 69.575 19.978 27.980 1.00 28.88 C ATOM 429 C ASN A 28 69.164 20.056 26.511 1.00 29.38 C ATOM 430 O ASN A 28 70.007 20.029 25.613 1.00 29.65 O ATOM 431 CB ASN A 28 71.065 20.304 28.135 1.00 27.93 C ATOM 432 CG ASN A 28 71.508 20.326 29.587 1.00 28.84 C ATOM 433 OD1 ASN A 28 71.449 21.362 30.250 1.00 29.64 O ATOM 434 ND2 ASN A 28 71.958 19.179 30.091 1.00 28.08 N ATOM 0 H ASN A 28 68.736 18.721 29.433 1.00 28.86 H new ATOM 0 HA ASN A 28 68.987 20.720 28.521 1.00 28.88 H new ATOM 0 HB2 ASN A 28 71.654 19.566 27.590 1.00 27.93 H new ATOM 0 HB3 ASN A 28 71.271 21.273 27.681 1.00 27.93 H new ATOM 0 HD21 ASN A 28 72.270 19.136 31.061 1.00 28.08 H new ATOM 0 HD22 ASN A 28 71.990 18.343 29.507 1.00 28.08 H new ATOM 441 N VAL A 29 67.856 20.141 26.275 1.00 29.23 N ATOM 442 CA VAL A 29 67.325 20.232 24.920 1.00 29.16 C ATOM 443 C VAL A 29 67.230 21.683 24.452 1.00 29.69 C ATOM 444 O VAL A 29 66.409 22.458 24.948 1.00 30.31 O ATOM 445 CB VAL A 29 65.935 19.573 24.818 1.00 28.68 C ATOM 446 CG1 VAL A 29 65.411 19.630 23.391 1.00 29.28 C ATOM 447 CG2 VAL A 29 65.992 18.137 25.315 1.00 28.81 C ATOM 0 H VAL A 29 67.145 20.149 27.007 1.00 29.23 H new ATOM 0 HA VAL A 29 68.021 19.698 24.274 1.00 29.16 H new ATOM 0 HB VAL A 29 65.244 20.130 25.451 1.00 28.68 H new ATOM 0 HG11 VAL A 29 64.429 19.159 23.345 1.00 29.28 H new ATOM 0 HG12 VAL A 29 65.330 20.670 23.075 1.00 29.28 H new ATOM 0 HG13 VAL A 29 66.098 19.102 22.730 1.00 29.28 H new ATOM 0 HG21 VAL A 29 65.003 17.685 25.237 1.00 28.81 H new ATOM 0 HG22 VAL A 29 66.699 17.570 24.709 1.00 28.81 H new ATOM 0 HG23 VAL A 29 66.315 18.125 26.356 1.00 28.81 H new ATOM 457 N LYS A 30 68.082 22.037 23.492 1.00 29.93 N ATOM 458 CA LYS A 30 68.109 23.381 22.928 1.00 30.02 C ATOM 459 C LYS A 30 67.417 23.388 21.566 1.00 29.92 C ATOM 460 O LYS A 30 67.348 22.358 20.897 1.00 29.72 O ATOM 461 CB LYS A 30 69.558 23.863 22.789 1.00 30.09 C ATOM 462 CG LYS A 30 69.688 25.305 22.321 1.00 31.17 C ATOM 463 CD LYS A 30 71.145 25.719 22.179 1.00 36.15 C ATOM 464 CE LYS A 30 71.868 25.702 23.518 1.00 38.13 C ATOM 465 NZ LYS A 30 73.302 26.086 23.384 1.00 38.77 N ATOM 0 H LYS A 30 68.769 21.402 23.086 1.00 29.93 H new ATOM 0 HA LYS A 30 67.577 24.058 23.596 1.00 30.02 H new ATOM 0 HB2 LYS A 30 70.059 23.757 23.751 1.00 30.09 H new ATOM 0 HB3 LYS A 30 70.080 23.215 22.085 1.00 30.09 H new ATOM 0 HG2 LYS A 30 69.180 25.425 21.364 1.00 31.17 H new ATOM 0 HG3 LYS A 30 69.189 25.965 23.031 1.00 31.17 H new ATOM 0 HD2 LYS A 30 71.649 25.046 21.485 1.00 36.15 H new ATOM 0 HD3 LYS A 30 71.199 26.719 21.749 1.00 36.15 H new ATOM 0 HE2 LYS A 30 71.372 26.387 24.206 1.00 38.13 H new ATOM 0 HE3 LYS A 30 71.799 24.706 23.955 1.00 38.13 H new ATOM 0 HZ1 LYS A 30 73.757 26.061 24.319 1.00 38.77 H new ATOM 0 HZ2 LYS A 30 73.782 25.418 22.748 1.00 38.77 H new ATOM 0 HZ3 LYS A 30 73.369 27.047 22.992 1.00 38.77 H new ATOM 479 N LYS A 31 66.905 24.545 21.159 1.00 30.12 N ATOM 480 CA LYS A 31 66.221 24.657 19.876 1.00 30.63 C ATOM 481 C LYS A 31 67.223 24.791 18.732 1.00 30.21 C ATOM 482 O LYS A 31 68.060 25.696 18.725 1.00 29.89 O ATOM 483 CB LYS A 31 65.257 25.847 19.877 1.00 30.91 C ATOM 484 CG LYS A 31 64.368 25.910 18.645 1.00 32.81 C ATOM 485 CD LYS A 31 63.324 27.007 18.760 0.01 32.61 C ATOM 486 CE LYS A 31 62.440 27.064 17.524 0.01 32.87 C ATOM 487 NZ LYS A 31 61.371 28.095 17.646 0.01 32.94 N ATOM 0 H LYS A 31 66.950 25.412 21.694 1.00 30.12 H new ATOM 0 HA LYS A 31 65.646 23.744 19.724 1.00 30.63 H new ATOM 0 HB2 LYS A 31 64.629 25.794 20.766 1.00 30.91 H new ATOM 0 HB3 LYS A 31 65.832 26.770 19.947 1.00 30.91 H new ATOM 0 HG2 LYS A 31 64.982 26.084 17.762 1.00 32.81 H new ATOM 0 HG3 LYS A 31 63.872 24.949 18.505 1.00 32.81 H new ATOM 0 HD2 LYS A 31 62.708 26.834 19.642 0.01 32.61 H new ATOM 0 HD3 LYS A 31 63.818 27.968 18.900 0.01 32.61 H new ATOM 0 HE2 LYS A 31 63.054 27.281 16.650 0.01 32.87 H new ATOM 0 HE3 LYS A 31 61.984 26.088 17.360 0.01 32.87 H new ATOM 0 HZ1 LYS A 31 60.793 28.099 16.782 0.01 32.94 H new ATOM 0 HZ2 LYS A 31 60.769 27.875 18.465 0.01 32.94 H new ATOM 0 HZ3 LYS A 31 61.805 29.031 17.777 0.01 32.94 H new ATOM 501 N LEU A 32 67.127 23.877 17.768 1.00 30.17 N ATOM 502 CA LEU A 32 68.011 23.878 16.609 1.00 30.14 C ATOM 503 C LEU A 32 67.566 24.944 15.612 1.00 30.24 C ATOM 504 O LEU A 32 66.434 25.428 15.676 1.00 30.14 O ATOM 505 CB LEU A 32 68.010 22.494 15.945 1.00 30.00 C ATOM 506 CG LEU A 32 69.100 22.259 14.896 1.00 31.11 C ATOM 507 CD1 LEU A 32 70.482 22.319 15.532 1.00 33.13 C ATOM 508 CD2 LEU A 32 68.887 20.923 14.201 1.00 32.25 C ATOM 0 H LEU A 32 66.440 23.123 17.769 1.00 30.17 H new ATOM 0 HA LEU A 32 69.025 24.108 16.937 1.00 30.14 H new ATOM 0 HB2 LEU A 32 68.112 21.738 16.724 1.00 30.00 H new ATOM 0 HB3 LEU A 32 67.039 22.338 15.474 1.00 30.00 H new ATOM 0 HG LEU A 32 69.036 23.051 14.150 1.00 31.11 H new ATOM 0 HD11 LEU A 32 71.241 22.149 14.769 1.00 33.13 H new ATOM 0 HD12 LEU A 32 70.633 23.300 15.982 1.00 33.13 H new ATOM 0 HD13 LEU A 32 70.562 21.551 16.301 1.00 33.13 H new ATOM 0 HD21 LEU A 32 69.670 20.770 13.458 1.00 32.25 H new ATOM 0 HD22 LEU A 32 68.924 20.120 14.937 1.00 32.25 H new ATOM 0 HD23 LEU A 32 67.914 20.920 13.709 1.00 32.25 H new ATOM 520 N GLN A 33 68.457 25.305 14.692 1.00 30.41 N ATOM 521 CA GLN A 33 68.144 26.312 13.683 1.00 31.42 C ATOM 522 C GLN A 33 66.984 25.856 12.805 1.00 30.40 C ATOM 523 O GLN A 33 66.231 26.682 12.284 1.00 30.64 O ATOM 524 CB GLN A 33 69.378 26.604 12.822 1.00 32.26 C ATOM 525 CG GLN A 33 69.142 27.650 11.742 1.00 36.24 C ATOM 526 CD GLN A 33 70.353 27.849 10.849 1.00 40.54 C ATOM 527 OE1 GLN A 33 70.507 27.168 9.833 1.00 41.78 O ATOM 528 NE2 GLN A 33 71.221 28.785 11.220 1.00 42.18 N ATOM 0 H GLN A 33 69.398 24.917 14.625 1.00 30.41 H new ATOM 0 HA GLN A 33 67.847 27.228 14.195 1.00 31.42 H new ATOM 0 HB2 GLN A 33 70.189 26.940 13.468 1.00 32.26 H new ATOM 0 HB3 GLN A 33 69.708 25.678 12.351 1.00 32.26 H new ATOM 0 HG2 GLN A 33 68.290 27.351 11.131 1.00 36.24 H new ATOM 0 HG3 GLN A 33 68.881 28.599 12.211 1.00 36.24 H new ATOM 0 HE21 GLN A 33 71.056 29.326 12.068 1.00 42.18 H new ATOM 0 HE22 GLN A 33 72.052 28.962 10.656 1.00 42.18 H new ATOM 537 N GLU A 34 66.840 24.541 12.644 1.00 30.02 N ATOM 538 CA GLU A 34 65.770 23.986 11.833 1.00 30.43 C ATOM 539 C GLU A 34 64.486 23.871 12.640 1.00 30.10 C ATOM 540 O GLU A 34 64.484 23.335 13.751 1.00 30.59 O ATOM 541 CB GLU A 34 66.169 22.615 11.274 1.00 30.61 C ATOM 542 CG GLU A 34 67.238 22.673 10.190 1.00 33.14 C ATOM 543 CD GLU A 34 68.552 23.255 10.680 1.00 37.04 C ATOM 544 OE1 GLU A 34 69.279 22.550 11.411 1.00 38.11 O ATOM 545 OE2 GLU A 34 68.853 24.417 10.333 1.00 37.93 O ATOM 0 H GLU A 34 67.454 23.844 13.067 1.00 30.02 H new ATOM 0 HA GLU A 34 65.594 24.664 10.998 1.00 30.43 H new ATOM 0 HB2 GLU A 34 66.530 21.992 12.092 1.00 30.61 H new ATOM 0 HB3 GLU A 34 65.282 22.127 10.869 1.00 30.61 H new ATOM 0 HG2 GLU A 34 67.413 21.668 9.807 1.00 33.14 H new ATOM 0 HG3 GLU A 34 66.870 23.272 9.357 1.00 33.14 H new ATOM 552 N GLU A 35 63.396 24.383 12.073 1.00 30.07 N ATOM 553 CA GLU A 35 62.100 24.336 12.734 0.50 29.78 C ATOM 554 C GLU A 35 61.653 22.886 12.885 1.00 30.09 C ATOM 555 O GLU A 35 61.538 22.158 11.898 1.00 30.43 O ATOM 556 CB GLU A 35 61.058 25.137 11.947 0.50 29.62 C ATOM 557 CG GLU A 35 59.729 25.295 12.674 0.50 29.33 C ATOM 558 CD GLU A 35 59.873 25.997 14.013 0.50 28.70 C ATOM 559 OE1 GLU A 35 59.866 27.245 14.034 0.50 27.25 O ATOM 560 OE2 GLU A 35 59.994 25.296 15.041 0.50 28.73 O ATOM 0 H GLU A 35 63.387 24.834 11.158 1.00 30.07 H new ATOM 0 HA GLU A 35 62.194 24.786 13.722 0.50 29.78 H new ATOM 0 HB2 GLU A 35 61.462 26.125 11.728 0.50 29.62 H new ATOM 0 HB3 GLU A 35 60.882 24.646 10.990 0.50 29.62 H new ATOM 0 HG2 GLU A 35 59.040 25.859 12.045 0.50 29.33 H new ATOM 0 HG3 GLU A 35 59.286 24.312 12.830 0.50 29.33 H new ATOM 567 N GLY A 36 61.402 22.477 14.125 1.00 30.13 N ATOM 568 CA GLY A 36 60.997 21.109 14.388 1.00 29.64 C ATOM 569 C GLY A 36 62.170 20.219 14.739 1.00 29.87 C ATOM 570 O GLY A 36 62.071 18.995 14.661 1.00 30.05 O ATOM 0 H GLY A 36 61.472 23.069 14.952 1.00 30.13 H new ATOM 0 HA2 GLY A 36 60.277 21.097 15.206 1.00 29.64 H new ATOM 0 HA3 GLY A 36 60.489 20.708 13.511 1.00 29.64 H new ATOM 574 N TRP A 37 63.289 20.837 15.120 1.00 29.74 N ATOM 575 CA TRP A 37 64.484 20.101 15.492 1.00 29.59 C ATOM 576 C TRP A 37 65.080 20.666 16.769 1.00 29.70 C ATOM 577 O TRP A 37 65.191 21.881 16.936 1.00 30.29 O ATOM 578 CB TRP A 37 65.512 20.137 14.361 1.00 29.29 C ATOM 579 CG TRP A 37 65.136 19.268 13.202 1.00 29.26 C ATOM 580 CD1 TRP A 37 64.601 19.669 12.011 1.00 28.67 C ATOM 581 CD2 TRP A 37 65.258 17.844 13.130 1.00 29.10 C ATOM 582 NE1 TRP A 37 64.387 18.581 11.201 1.00 29.99 N ATOM 583 CE2 TRP A 37 64.781 17.448 11.866 1.00 29.48 C ATOM 584 CE3 TRP A 37 65.726 16.864 14.011 1.00 29.56 C ATOM 585 CZ2 TRP A 37 64.760 16.115 11.463 1.00 27.72 C ATOM 586 CZ3 TRP A 37 65.704 15.542 13.609 1.00 28.75 C ATOM 587 CH2 TRP A 37 65.224 15.178 12.345 1.00 26.29 C ATOM 0 H TRP A 37 63.386 21.851 15.177 1.00 29.74 H new ATOM 0 HA TRP A 37 64.206 19.062 15.670 1.00 29.59 H new ATOM 0 HB2 TRP A 37 65.628 21.164 14.015 1.00 29.29 H new ATOM 0 HB3 TRP A 37 66.480 19.819 14.747 1.00 29.29 H new ATOM 0 HD1 TRP A 37 64.379 20.692 11.745 1.00 28.67 H new ATOM 0 HE1 TRP A 37 63.998 18.611 10.258 1.00 29.99 H new ATOM 0 HE3 TRP A 37 66.098 17.135 14.988 1.00 29.56 H new ATOM 0 HZ2 TRP A 37 64.390 15.831 10.489 1.00 27.72 H new ATOM 0 HZ3 TRP A 37 66.063 14.777 14.281 1.00 28.75 H new ATOM 0 HH2 TRP A 37 65.220 14.136 12.061 1.00 26.29 H new ATOM 598 N LEU A 38 65.454 19.767 17.666 1.00 29.48 N ATOM 599 CA LEU A 38 66.044 20.146 18.939 1.00 29.37 C ATOM 600 C LEU A 38 67.389 19.458 19.115 1.00 29.69 C ATOM 601 O LEU A 38 67.678 18.474 18.442 1.00 30.33 O ATOM 602 CB LEU A 38 65.106 19.779 20.093 1.00 28.93 C ATOM 603 CG LEU A 38 63.724 20.438 20.046 1.00 28.10 C ATOM 604 CD1 LEU A 38 62.828 19.873 21.139 1.00 26.91 C ATOM 605 CD2 LEU A 38 63.847 21.949 20.182 1.00 27.03 C ATOM 0 H LEU A 38 65.358 18.760 17.533 1.00 29.48 H new ATOM 0 HA LEU A 38 66.196 21.225 18.947 1.00 29.37 H new ATOM 0 HB2 LEU A 38 64.975 18.697 20.103 1.00 28.93 H new ATOM 0 HB3 LEU A 38 65.588 20.050 21.032 1.00 28.93 H new ATOM 0 HG LEU A 38 63.270 20.218 19.080 1.00 28.10 H new ATOM 0 HD11 LEU A 38 61.850 20.352 21.092 1.00 26.91 H new ATOM 0 HD12 LEU A 38 62.713 18.799 20.996 1.00 26.91 H new ATOM 0 HD13 LEU A 38 63.278 20.063 22.113 1.00 26.91 H new ATOM 0 HD21 LEU A 38 62.855 22.399 20.146 1.00 27.03 H new ATOM 0 HD22 LEU A 38 64.322 22.191 21.133 1.00 27.03 H new ATOM 0 HD23 LEU A 38 64.453 22.340 19.364 1.00 27.03 H new ATOM 617 N GLU A 39 68.205 19.978 20.023 1.00 29.85 N ATOM 618 CA GLU A 39 69.524 19.413 20.284 1.00 30.01 C ATOM 619 C GLU A 39 69.673 19.094 21.766 1.00 29.88 C ATOM 620 O GLU A 39 69.597 19.987 22.611 1.00 29.98 O ATOM 621 CB GLU A 39 70.617 20.385 19.836 1.00 30.17 C ATOM 622 CG GLU A 39 72.005 19.767 19.807 1.00 32.87 C ATOM 623 CD GLU A 39 73.083 20.765 19.431 1.00 37.88 C ATOM 624 OE1 GLU A 39 73.276 21.001 18.219 1.00 38.28 O ATOM 625 OE2 GLU A 39 73.733 21.311 20.347 1.00 38.59 O ATOM 0 H GLU A 39 67.976 20.792 20.593 1.00 29.85 H new ATOM 0 HA GLU A 39 69.629 18.489 19.715 1.00 30.01 H new ATOM 0 HB2 GLU A 39 70.374 20.759 18.841 1.00 30.17 H new ATOM 0 HB3 GLU A 39 70.625 21.244 20.507 1.00 30.17 H new ATOM 0 HG2 GLU A 39 72.231 19.346 20.787 1.00 32.87 H new ATOM 0 HG3 GLU A 39 72.016 18.942 19.095 1.00 32.87 H new ATOM 632 N GLY A 40 69.899 17.821 22.079 1.00 29.49 N ATOM 633 CA GLY A 40 70.032 17.418 23.467 1.00 29.65 C ATOM 634 C GLY A 40 70.800 16.127 23.647 1.00 29.85 C ATOM 635 O GLY A 40 71.020 15.384 22.690 1.00 29.46 O ATOM 0 H GLY A 40 69.992 17.066 21.400 1.00 29.49 H new ATOM 0 HA2 GLY A 40 70.534 18.211 24.021 1.00 29.65 H new ATOM 0 HA3 GLY A 40 69.039 17.305 23.902 1.00 29.65 H new ATOM 639 N GLU A 41 71.206 15.867 24.886 1.00 29.93 N ATOM 640 CA GLU A 41 71.948 14.660 25.216 1.00 29.92 C ATOM 641 C GLU A 41 70.983 13.518 25.517 1.00 29.86 C ATOM 642 O GLU A 41 70.299 13.520 26.542 1.00 30.03 O ATOM 643 CB GLU A 41 72.877 14.921 26.409 1.00 29.67 C ATOM 644 CG GLU A 41 73.749 13.732 26.794 1.00 34.14 C ATOM 645 CD GLU A 41 73.009 12.706 27.633 1.00 36.56 C ATOM 646 OE1 GLU A 41 72.770 12.977 28.828 1.00 37.88 O ATOM 647 OE2 GLU A 41 72.669 11.633 27.095 1.00 34.81 O ATOM 0 H GLU A 41 71.031 16.482 25.681 1.00 29.93 H new ATOM 0 HA GLU A 41 72.562 14.373 24.362 1.00 29.92 H new ATOM 0 HB2 GLU A 41 73.521 15.769 26.175 1.00 29.67 H new ATOM 0 HB3 GLU A 41 72.273 15.208 27.270 1.00 29.67 H new ATOM 0 HG2 GLU A 41 74.122 13.253 25.889 1.00 34.14 H new ATOM 0 HG3 GLU A 41 74.618 14.089 27.347 1.00 34.14 H new ATOM 654 N LEU A 42 70.934 12.551 24.607 1.00 29.45 N ATOM 655 CA LEU A 42 70.057 11.397 24.753 1.00 29.26 C ATOM 656 C LEU A 42 70.825 10.111 24.486 1.00 30.02 C ATOM 657 O LEU A 42 71.577 10.017 23.513 1.00 30.38 O ATOM 658 CB LEU A 42 68.863 11.502 23.799 1.00 29.05 C ATOM 659 CG LEU A 42 67.865 10.342 23.878 1.00 26.88 C ATOM 660 CD1 LEU A 42 67.185 10.308 25.239 1.00 23.36 C ATOM 661 CD2 LEU A 42 66.833 10.452 22.766 1.00 25.54 C ATOM 0 H LEU A 42 71.496 12.545 23.756 1.00 29.45 H new ATOM 0 HA LEU A 42 69.684 11.379 25.777 1.00 29.26 H new ATOM 0 HB2 LEU A 42 68.333 12.432 24.006 1.00 29.05 H new ATOM 0 HB3 LEU A 42 69.238 11.569 22.778 1.00 29.05 H new ATOM 0 HG LEU A 42 68.413 9.409 23.749 1.00 26.88 H new ATOM 0 HD11 LEU A 42 66.481 9.477 25.273 1.00 23.36 H new ATOM 0 HD12 LEU A 42 67.936 10.179 26.018 1.00 23.36 H new ATOM 0 HD13 LEU A 42 66.650 11.244 25.402 1.00 23.36 H new ATOM 0 HD21 LEU A 42 66.132 9.620 22.837 1.00 25.54 H new ATOM 0 HD22 LEU A 42 66.291 11.393 22.864 1.00 25.54 H new ATOM 0 HD23 LEU A 42 67.335 10.422 21.799 1.00 25.54 H new ATOM 673 N ASN A 43 70.633 9.127 25.360 1.00 30.44 N ATOM 674 CA ASN A 43 71.305 7.836 25.236 1.00 30.67 C ATOM 675 C ASN A 43 72.826 7.980 25.383 1.00 30.06 C ATOM 676 O ASN A 43 73.581 7.109 24.944 1.00 29.74 O ATOM 677 CB ASN A 43 70.964 7.181 23.890 1.00 31.77 C ATOM 678 CG ASN A 43 69.466 7.041 23.666 1.00 35.53 C ATOM 679 OD1 ASN A 43 68.698 6.864 24.613 1.00 36.31 O ATOM 680 ND2 ASN A 43 69.043 7.121 22.409 1.00 40.09 N ATOM 0 H ASN A 43 70.013 9.200 26.167 1.00 30.44 H new ATOM 0 HA ASN A 43 70.947 7.197 26.043 1.00 30.67 H new ATOM 0 HB2 ASN A 43 71.394 7.775 23.083 1.00 31.77 H new ATOM 0 HB3 ASN A 43 71.428 6.196 23.843 1.00 31.77 H new ATOM 0 HD21 ASN A 43 68.049 7.035 22.199 1.00 40.09 H new ATOM 0 HD22 ASN A 43 69.713 7.268 21.654 1.00 40.09 H new ATOM 687 N GLY A 44 73.271 9.075 26.015 1.00 30.57 N ATOM 688 CA GLY A 44 74.693 9.298 26.213 1.00 30.96 C ATOM 689 C GLY A 44 75.369 9.971 25.038 1.00 31.10 C ATOM 690 O GLY A 44 76.593 9.917 24.910 1.00 31.29 O ATOM 0 H GLY A 44 72.668 9.807 26.391 1.00 30.57 H new ATOM 0 HA2 GLY A 44 74.836 9.910 27.103 1.00 30.96 H new ATOM 0 HA3 GLY A 44 75.180 8.341 26.403 1.00 30.96 H new ATOM 694 N ARG A 45 74.579 10.606 24.179 1.00 31.28 N ATOM 695 CA ARG A 45 75.117 11.293 23.016 1.00 31.67 C ATOM 696 C ARG A 45 74.318 12.556 22.721 1.00 31.03 C ATOM 697 O ARG A 45 73.122 12.626 23.006 1.00 30.83 O ATOM 698 CB ARG A 45 75.097 10.367 21.796 1.00 32.25 C ATOM 699 CG ARG A 45 76.005 10.824 20.663 1.00 34.74 C ATOM 700 CD ARG A 45 75.580 10.224 19.331 1.00 39.98 C ATOM 701 NE ARG A 45 74.385 10.873 18.791 1.00 41.27 N ATOM 702 CZ ARG A 45 73.567 10.312 17.897 1.00 43.21 C ATOM 703 NH1 ARG A 45 73.800 9.082 17.443 1.00 42.18 N ATOM 704 NH2 ARG A 45 72.509 10.983 17.455 1.00 44.74 N ATOM 0 H ARG A 45 73.564 10.658 24.268 1.00 31.28 H new ATOM 0 HA ARG A 45 76.148 11.575 23.232 1.00 31.67 H new ATOM 0 HB2 ARG A 45 75.395 9.366 22.107 1.00 32.25 H new ATOM 0 HB3 ARG A 45 74.075 10.294 21.423 1.00 32.25 H new ATOM 0 HG2 ARG A 45 75.985 11.912 20.596 1.00 34.74 H new ATOM 0 HG3 ARG A 45 77.034 10.536 20.881 1.00 34.74 H new ATOM 0 HD2 ARG A 45 76.397 10.316 18.615 1.00 39.98 H new ATOM 0 HD3 ARG A 45 75.387 9.159 19.459 1.00 39.98 H new ATOM 0 HE ARG A 45 74.163 11.813 19.118 1.00 41.27 H new ATOM 0 HH11 ARG A 45 74.609 8.559 17.778 1.00 42.18 H new ATOM 0 HH12 ARG A 45 73.169 8.662 16.760 1.00 42.18 H new ATOM 0 HH21 ARG A 45 72.323 11.925 17.799 1.00 44.74 H new ATOM 0 HH22 ARG A 45 71.883 10.556 16.772 1.00 44.74 H new ATOM 718 N ARG A 46 74.983 13.543 22.138 1.00 30.68 N ATOM 719 CA ARG A 46 74.337 14.801 21.793 1.00 30.55 C ATOM 720 C ARG A 46 73.864 14.735 20.346 1.00 30.11 C ATOM 721 O ARG A 46 74.677 14.626 19.425 1.00 30.10 O ATOM 722 CB ARG A 46 75.301 15.976 21.995 1.00 30.46 C ATOM 723 CG ARG A 46 74.727 17.329 21.590 1.00 32.25 C ATOM 724 CD ARG A 46 73.527 17.718 22.441 0.01 32.39 C ATOM 725 NE ARG A 46 73.887 17.944 23.843 0.01 32.82 N ATOM 726 CZ ARG A 46 73.343 18.891 24.617 0.01 33.01 C ATOM 727 NH1 ARG A 46 72.410 19.710 24.136 0.01 33.12 N ATOM 728 NH2 ARG A 46 73.736 19.017 25.879 0.01 33.06 N ATOM 0 H ARG A 46 75.972 13.497 21.893 1.00 30.68 H new ATOM 0 HA ARG A 46 73.479 14.960 22.447 1.00 30.55 H new ATOM 0 HB2 ARG A 46 75.592 16.017 23.045 1.00 30.46 H new ATOM 0 HB3 ARG A 46 76.208 15.791 21.419 1.00 30.46 H new ATOM 0 HG2 ARG A 46 75.499 18.093 21.682 1.00 32.25 H new ATOM 0 HG3 ARG A 46 74.433 17.298 20.541 1.00 32.25 H new ATOM 0 HD2 ARG A 46 73.074 18.622 22.034 0.01 32.39 H new ATOM 0 HD3 ARG A 46 72.774 16.932 22.384 0.01 32.39 H new ATOM 0 HE ARG A 46 74.598 17.341 24.256 0.01 32.82 H new ATOM 0 HH11 ARG A 46 72.102 19.620 23.168 0.01 33.12 H new ATOM 0 HH12 ARG A 46 72.003 20.428 24.736 0.01 33.12 H new ATOM 0 HH21 ARG A 46 74.450 18.393 26.255 0.01 33.06 H new ATOM 0 HH22 ARG A 46 73.324 19.737 26.472 0.01 33.06 H new ATOM 742 N GLY A 47 72.551 14.800 20.147 1.00 29.77 N ATOM 743 CA GLY A 47 72.009 14.715 18.805 1.00 29.07 C ATOM 744 C GLY A 47 70.838 15.646 18.568 1.00 29.23 C ATOM 745 O GLY A 47 70.529 16.499 19.401 1.00 29.34 O ATOM 0 H GLY A 47 71.857 14.909 20.887 1.00 29.77 H new ATOM 0 HA2 GLY A 47 72.797 14.945 18.088 1.00 29.07 H new ATOM 0 HA3 GLY A 47 71.693 13.690 18.613 1.00 29.07 H new ATOM 749 N MET A 48 70.188 15.470 17.420 1.00 29.43 N ATOM 750 CA MET A 48 69.043 16.285 17.044 1.00 29.55 C ATOM 751 C MET A 48 67.808 15.408 16.871 1.00 29.74 C ATOM 752 O MET A 48 67.883 14.324 16.291 1.00 29.84 O ATOM 753 CB MET A 48 69.341 17.052 15.755 1.00 29.04 C ATOM 754 CG MET A 48 70.488 18.042 15.894 1.00 30.75 C ATOM 755 SD MET A 48 71.156 18.566 14.304 1.00 35.17 S ATOM 756 CE MET A 48 72.590 19.501 14.833 1.00 30.25 C ATOM 0 H MET A 48 70.441 14.762 16.730 1.00 29.43 H new ATOM 0 HA MET A 48 68.848 17.006 17.838 1.00 29.55 H new ATOM 0 HB2 MET A 48 69.578 16.341 14.964 1.00 29.04 H new ATOM 0 HB3 MET A 48 68.444 17.587 15.444 1.00 29.04 H new ATOM 0 HG2 MET A 48 70.142 18.917 16.444 1.00 30.75 H new ATOM 0 HG3 MET A 48 71.283 17.589 16.485 1.00 30.75 H new ATOM 0 HE1 MET A 48 72.934 20.133 14.015 1.00 30.25 H new ATOM 0 HE2 MET A 48 72.323 20.125 15.686 1.00 30.25 H new ATOM 0 HE3 MET A 48 73.386 18.814 15.121 1.00 30.25 H new ATOM 766 N PHE A 49 66.673 15.887 17.366 1.00 29.54 N ATOM 767 CA PHE A 49 65.429 15.129 17.289 1.00 29.48 C ATOM 768 C PHE A 49 64.231 16.044 17.044 1.00 29.94 C ATOM 769 O PHE A 49 64.289 17.244 17.314 1.00 30.17 O ATOM 770 CB PHE A 49 65.224 14.325 18.576 1.00 28.94 C ATOM 771 CG PHE A 49 65.427 15.133 19.829 1.00 27.57 C ATOM 772 CD1 PHE A 49 66.701 15.504 20.229 1.00 25.70 C ATOM 773 CD2 PHE A 49 64.347 15.524 20.602 1.00 27.12 C ATOM 774 CE1 PHE A 49 66.893 16.249 21.374 1.00 25.62 C ATOM 775 CE2 PHE A 49 64.535 16.270 21.749 1.00 27.89 C ATOM 776 CZ PHE A 49 65.808 16.632 22.135 1.00 26.82 C ATOM 0 H PHE A 49 66.588 16.794 17.824 1.00 29.54 H new ATOM 0 HA PHE A 49 65.505 14.445 16.444 1.00 29.48 H new ATOM 0 HB2 PHE A 49 64.215 13.912 18.580 1.00 28.94 H new ATOM 0 HB3 PHE A 49 65.914 13.482 18.582 1.00 28.94 H new ATOM 0 HD1 PHE A 49 67.554 15.206 19.637 1.00 25.70 H new ATOM 0 HD2 PHE A 49 63.347 15.243 20.305 1.00 27.12 H new ATOM 0 HE1 PHE A 49 67.891 16.532 21.674 1.00 25.62 H new ATOM 0 HE2 PHE A 49 63.685 16.570 22.344 1.00 27.89 H new ATOM 0 HZ PHE A 49 65.956 17.215 23.032 1.00 26.82 H new ATOM 786 N PRO A 50 63.124 15.477 16.527 1.00 30.08 N ATOM 787 CA PRO A 50 61.902 16.236 16.240 1.00 29.95 C ATOM 788 C PRO A 50 61.344 16.954 17.469 1.00 29.91 C ATOM 789 O PRO A 50 61.368 16.423 18.580 1.00 30.19 O ATOM 790 CB PRO A 50 60.915 15.171 15.755 1.00 29.61 C ATOM 791 CG PRO A 50 61.765 14.040 15.293 1.00 29.35 C ATOM 792 CD PRO A 50 62.982 14.054 16.172 1.00 30.28 C ATOM 0 HA PRO A 50 62.090 17.027 15.514 1.00 29.95 H new ATOM 0 HB2 PRO A 50 60.245 14.860 16.556 1.00 29.61 H new ATOM 0 HB3 PRO A 50 60.290 15.551 14.947 1.00 29.61 H new ATOM 0 HG2 PRO A 50 61.233 13.092 15.377 1.00 29.35 H new ATOM 0 HG3 PRO A 50 62.039 14.160 14.245 1.00 29.35 H new ATOM 0 HD2 PRO A 50 62.848 13.430 17.056 1.00 30.28 H new ATOM 0 HD3 PRO A 50 63.862 13.680 15.648 1.00 30.28 H new ATOM 800 N ASP A 51 60.842 18.168 17.247 1.00 30.10 N ATOM 801 CA ASP A 51 60.272 18.982 18.319 1.00 30.42 C ATOM 802 C ASP A 51 58.886 18.478 18.728 1.00 30.47 C ATOM 803 O ASP A 51 58.550 18.468 19.912 1.00 31.18 O ATOM 804 CB ASP A 51 60.187 20.449 17.882 1.00 29.76 C ATOM 805 CG ASP A 51 59.625 21.352 18.965 1.00 30.04 C ATOM 806 OD1 ASP A 51 60.418 21.857 19.787 1.00 32.21 O ATOM 807 OD2 ASP A 51 58.393 21.553 18.991 1.00 29.54 O ATOM 0 H ASP A 51 60.819 18.611 16.329 1.00 30.10 H new ATOM 0 HA ASP A 51 60.930 18.901 19.184 1.00 30.42 H new ATOM 0 HB2 ASP A 51 61.181 20.799 17.603 1.00 29.76 H new ATOM 0 HB3 ASP A 51 59.562 20.523 16.992 1.00 29.76 H new ATOM 812 N ASN A 52 58.086 18.058 17.744 1.00 30.26 N ATOM 813 CA ASN A 52 56.732 17.565 18.004 1.00 30.67 C ATOM 814 C ASN A 52 56.719 16.142 18.581 1.00 30.83 C ATOM 815 O ASN A 52 55.655 15.622 18.922 1.00 31.21 O ATOM 816 CB ASN A 52 55.898 17.614 16.719 1.00 30.81 C ATOM 817 CG ASN A 52 55.756 19.025 16.176 1.00 32.54 C ATOM 818 OD1 ASN A 52 56.589 19.488 15.396 1.00 34.54 O ATOM 819 ND2 ASN A 52 54.699 19.718 16.587 1.00 33.43 N ATOM 0 H ASN A 52 58.353 18.050 16.760 1.00 30.26 H new ATOM 0 HA ASN A 52 56.295 18.221 18.757 1.00 30.67 H new ATOM 0 HB2 ASN A 52 56.363 16.981 15.963 1.00 30.81 H new ATOM 0 HB3 ASN A 52 54.908 17.202 16.915 1.00 30.81 H new ATOM 0 HD21 ASN A 52 54.554 20.672 16.255 1.00 33.43 H new ATOM 0 HD22 ASN A 52 54.033 19.296 17.234 1.00 33.43 H new ATOM 826 N PHE A 53 57.893 15.517 18.693 1.00 30.61 N ATOM 827 CA PHE A 53 57.995 14.164 19.233 1.00 30.73 C ATOM 828 C PHE A 53 58.283 14.211 20.727 1.00 30.75 C ATOM 829 O PHE A 53 57.817 13.357 21.481 1.00 30.72 O ATOM 830 CB PHE A 53 59.084 13.375 18.502 1.00 30.73 C ATOM 831 CG PHE A 53 58.651 12.859 17.157 1.00 31.62 C ATOM 832 CD1 PHE A 53 58.172 13.724 16.185 1.00 30.86 C ATOM 833 CD2 PHE A 53 58.720 11.506 16.867 1.00 33.29 C ATOM 834 CE1 PHE A 53 57.771 13.250 14.950 1.00 31.53 C ATOM 835 CE2 PHE A 53 58.321 11.027 15.635 1.00 34.04 C ATOM 836 CZ PHE A 53 57.846 11.899 14.676 1.00 31.02 C ATOM 0 H PHE A 53 58.785 15.928 18.416 1.00 30.61 H new ATOM 0 HA PHE A 53 57.042 13.657 19.079 1.00 30.73 H new ATOM 0 HB2 PHE A 53 59.959 14.012 18.373 1.00 30.73 H new ATOM 0 HB3 PHE A 53 59.391 12.534 19.123 1.00 30.73 H new ATOM 0 HD1 PHE A 53 58.111 14.782 16.395 1.00 30.86 H new ATOM 0 HD2 PHE A 53 59.090 10.818 17.613 1.00 33.29 H new ATOM 0 HE1 PHE A 53 57.400 13.935 14.202 1.00 31.53 H new ATOM 0 HE2 PHE A 53 58.381 9.970 15.422 1.00 34.04 H new ATOM 0 HZ PHE A 53 57.533 11.525 13.712 1.00 31.02 H new ATOM 846 N VAL A 54 59.049 15.217 21.147 1.00 30.38 N ATOM 847 CA VAL A 54 59.383 15.393 22.552 1.00 29.81 C ATOM 848 C VAL A 54 58.537 16.506 23.159 1.00 29.88 C ATOM 849 O VAL A 54 58.243 17.505 22.498 1.00 30.21 O ATOM 850 CB VAL A 54 60.877 15.721 22.755 1.00 30.12 C ATOM 851 CG1 VAL A 54 61.741 14.533 22.359 1.00 31.54 C ATOM 852 CG2 VAL A 54 61.270 16.966 21.968 1.00 29.97 C ATOM 0 H VAL A 54 59.449 15.923 20.529 1.00 30.38 H new ATOM 0 HA VAL A 54 59.172 14.448 23.053 1.00 29.81 H new ATOM 0 HB VAL A 54 61.043 15.927 23.812 1.00 30.12 H new ATOM 0 HG11 VAL A 54 62.792 14.781 22.508 1.00 31.54 H new ATOM 0 HG12 VAL A 54 61.481 13.672 22.975 1.00 31.54 H new ATOM 0 HG13 VAL A 54 61.571 14.293 21.310 1.00 31.54 H new ATOM 0 HG21 VAL A 54 62.327 17.178 22.126 1.00 29.97 H new ATOM 0 HG22 VAL A 54 61.089 16.798 20.906 1.00 29.97 H new ATOM 0 HG23 VAL A 54 60.675 17.814 22.308 1.00 29.97 H new ATOM 862 N LYS A 55 58.145 16.330 24.414 1.00 29.74 N ATOM 863 CA LYS A 55 57.322 17.317 25.100 1.00 29.89 C ATOM 864 C LYS A 55 58.120 18.026 26.186 1.00 30.09 C ATOM 865 O LYS A 55 58.781 17.381 27.002 1.00 30.59 O ATOM 866 CB LYS A 55 56.084 16.650 25.708 1.00 29.70 C ATOM 867 CG LYS A 55 55.255 15.856 24.707 1.00 27.87 C ATOM 868 CD LYS A 55 54.761 16.733 23.565 1.00 28.45 C ATOM 869 CE LYS A 55 53.977 15.927 22.539 1.00 29.83 C ATOM 870 NZ LYS A 55 52.682 15.430 23.082 1.00 29.81 N ATOM 0 H LYS A 55 58.383 15.514 24.977 1.00 29.74 H new ATOM 0 HA LYS A 55 57.000 18.058 24.368 1.00 29.89 H new ATOM 0 HB2 LYS A 55 56.400 15.985 26.512 1.00 29.70 H new ATOM 0 HB3 LYS A 55 55.454 17.417 26.158 1.00 29.70 H new ATOM 0 HG2 LYS A 55 55.854 15.039 24.305 1.00 27.87 H new ATOM 0 HG3 LYS A 55 54.402 15.406 25.216 1.00 27.87 H new ATOM 0 HD2 LYS A 55 54.131 17.528 23.963 1.00 28.45 H new ATOM 0 HD3 LYS A 55 55.611 17.212 23.080 1.00 28.45 H new ATOM 0 HE2 LYS A 55 53.787 16.546 21.662 1.00 29.83 H new ATOM 0 HE3 LYS A 55 54.579 15.081 22.208 1.00 29.83 H new ATOM 0 HZ1 LYS A 55 52.247 14.777 22.399 1.00 29.81 H new ATOM 0 HZ2 LYS A 55 52.850 14.931 23.979 1.00 29.81 H new ATOM 0 HZ3 LYS A 55 52.043 16.234 23.247 1.00 29.81 H new ATOM 884 N GLU A 56 58.061 19.359 26.183 1.00 29.95 N ATOM 885 CA GLU A 56 58.770 20.162 27.174 1.00 29.73 C ATOM 886 C GLU A 56 58.441 19.685 28.586 1.00 29.58 C ATOM 887 O GLU A 56 57.271 19.487 28.926 1.00 30.02 O ATOM 888 CB GLU A 56 58.398 21.643 27.017 1.00 29.71 C ATOM 889 CG GLU A 56 59.055 22.563 28.039 1.00 28.77 C ATOM 890 CD GLU A 56 60.553 22.684 27.844 1.00 31.39 C ATOM 891 OE1 GLU A 56 61.293 21.859 28.415 1.00 31.09 O ATOM 892 OE2 GLU A 56 60.985 23.607 27.121 1.00 32.19 O ATOM 0 H GLU A 56 57.529 19.903 25.504 1.00 29.95 H new ATOM 0 HA GLU A 56 59.841 20.046 27.011 1.00 29.73 H new ATOM 0 HB2 GLU A 56 58.677 21.972 26.016 1.00 29.71 H new ATOM 0 HB3 GLU A 56 57.316 21.745 27.096 1.00 29.71 H new ATOM 0 HG2 GLU A 56 58.604 23.553 27.973 1.00 28.77 H new ATOM 0 HG3 GLU A 56 58.853 22.187 29.042 1.00 28.77 H new ATOM 899 N ILE A 57 59.473 19.502 29.407 1.00 29.23 N ATOM 900 CA ILE A 57 59.284 19.043 30.778 1.00 29.24 C ATOM 901 C ILE A 57 59.168 20.235 31.729 1.00 29.93 C ATOM 902 O ILE A 57 60.144 20.637 32.367 1.00 30.54 O ATOM 903 CB ILE A 57 60.435 18.116 31.237 1.00 28.57 C ATOM 904 CG1 ILE A 57 60.581 16.930 30.277 1.00 28.31 C ATOM 905 CG2 ILE A 57 60.190 17.626 32.660 1.00 25.77 C ATOM 906 CD1 ILE A 57 61.739 16.014 30.613 1.00 28.60 C ATOM 0 H ILE A 57 60.446 19.664 29.146 1.00 29.23 H new ATOM 0 HA ILE A 57 58.358 18.468 30.803 1.00 29.24 H new ATOM 0 HB ILE A 57 61.364 18.686 31.225 1.00 28.57 H new ATOM 0 HG12 ILE A 57 59.657 16.351 30.285 1.00 28.31 H new ATOM 0 HG13 ILE A 57 60.711 17.308 29.263 1.00 28.31 H new ATOM 0 HG21 ILE A 57 61.009 16.975 32.967 1.00 25.77 H new ATOM 0 HG22 ILE A 57 60.133 18.480 33.334 1.00 25.77 H new ATOM 0 HG23 ILE A 57 59.252 17.071 32.697 1.00 25.77 H new ATOM 0 HD11 ILE A 57 61.779 15.198 29.891 1.00 28.60 H new ATOM 0 HD12 ILE A 57 62.671 16.578 30.576 1.00 28.60 H new ATOM 0 HD13 ILE A 57 61.601 15.606 31.614 1.00 28.60 H new ATOM 918 N LYS A 58 57.967 20.808 31.798 1.00 30.45 N ATOM 919 CA LYS A 58 57.709 21.957 32.663 1.00 30.98 C ATOM 920 C LYS A 58 57.563 21.528 34.125 1.00 30.73 C ATOM 921 O LYS A 58 58.312 22.061 34.971 1.00 30.38 O ATOM 922 CB LYS A 58 56.461 22.722 32.196 1.00 31.05 C ATOM 923 CG LYS A 58 55.180 21.896 32.201 1.00 32.79 C ATOM 924 CD LYS A 58 54.011 22.669 31.603 1.00 35.98 C ATOM 925 CE LYS A 58 53.720 23.950 32.376 1.00 37.92 C ATOM 926 NZ LYS A 58 53.344 23.681 33.792 1.00 40.63 N ATOM 927 OXT LYS A 58 56.715 20.655 34.410 1.00 30.38 O ATOM 0 H LYS A 58 57.157 20.494 31.264 1.00 30.45 H new ATOM 0 HA LYS A 58 58.568 22.625 32.593 1.00 30.98 H new ATOM 0 HB2 LYS A 58 56.321 23.592 32.838 1.00 31.05 H new ATOM 0 HB3 LYS A 58 56.635 23.095 31.187 1.00 31.05 H new ATOM 0 HG2 LYS A 58 55.337 20.977 31.636 1.00 32.79 H new ATOM 0 HG3 LYS A 58 54.939 21.604 33.223 1.00 32.79 H new ATOM 0 HD2 LYS A 58 54.232 22.914 30.564 1.00 35.98 H new ATOM 0 HD3 LYS A 58 53.122 22.038 31.599 1.00 35.98 H new ATOM 0 HE2 LYS A 58 54.599 24.594 32.352 1.00 37.92 H new ATOM 0 HE3 LYS A 58 52.913 24.493 31.885 1.00 37.92 H new ATOM 0 HZ1 LYS A 58 53.009 24.560 34.235 1.00 40.63 H new ATOM 0 HZ2 LYS A 58 52.587 22.968 33.821 1.00 40.63 H new ATOM 0 HZ3 LYS A 58 54.173 23.326 34.310 1.00 40.63 H new