USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=5 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 Single : A 4 TYR OH : rot -45:sc= 0.224 USER MOD Single : A 8 TYR OH : rot 127:sc= 0.0147 USER MOD Single : A 10 TYR OH : rot 30:sc=-0.00128 USER MOD Single : A 14 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 28 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -1.2 (180deg=-2.14!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.6) USER MOD Single : A 43 ASN : amide:sc= -0.305 K(o=-0.31,f=-0.83) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.608 23.357 28.843 1.00 30.78 N ATOM 2 CA VAL A 2 65.316 22.738 29.251 1.00 30.87 C ATOM 3 C VAL A 2 65.246 21.270 28.834 1.00 30.54 C ATOM 4 O VAL A 2 65.537 20.927 27.688 1.00 30.95 O ATOM 5 CB VAL A 2 64.102 23.489 28.655 1.00 30.89 C ATOM 6 CG1 VAL A 2 63.895 24.820 29.362 1.00 31.43 C ATOM 7 CG2 VAL A 2 64.273 23.702 27.156 1.00 33.03 C ATOM 0 HA VAL A 2 65.273 22.808 30.338 1.00 30.87 H new ATOM 0 HB VAL A 2 63.216 22.873 28.811 1.00 30.89 H new ATOM 0 HG11 VAL A 2 63.037 25.333 28.928 1.00 31.43 H new ATOM 0 HG12 VAL A 2 63.715 24.644 30.423 1.00 31.43 H new ATOM 0 HG13 VAL A 2 64.785 25.438 29.242 1.00 31.43 H new ATOM 0 HG21 VAL A 2 63.406 24.232 26.763 1.00 33.03 H new ATOM 0 HG22 VAL A 2 65.172 24.290 26.972 1.00 33.03 H new ATOM 0 HG23 VAL A 2 64.364 22.736 26.659 1.00 33.03 H new ATOM 19 N ASP A 3 64.852 20.411 29.773 1.00 30.12 N ATOM 20 CA ASP A 3 64.747 18.980 29.510 1.00 29.72 C ATOM 21 C ASP A 3 63.439 18.657 28.790 1.00 29.67 C ATOM 22 O ASP A 3 62.430 19.340 28.973 1.00 29.66 O ATOM 23 CB ASP A 3 64.835 18.187 30.819 1.00 29.23 C ATOM 24 CG ASP A 3 65.261 16.746 30.603 1.00 29.67 C ATOM 25 OD1 ASP A 3 64.406 15.921 30.212 1.00 29.24 O ATOM 26 OD2 ASP A 3 66.451 16.439 30.824 1.00 29.71 O ATOM 0 H ASP A 3 64.600 20.683 30.723 1.00 30.12 H new ATOM 0 HA ASP A 3 65.578 18.692 28.866 1.00 29.72 H new ATOM 0 HB2 ASP A 3 65.544 18.675 31.488 1.00 29.23 H new ATOM 0 HB3 ASP A 3 63.865 18.204 31.316 1.00 29.23 H new ATOM 31 N TYR A 4 63.472 17.610 27.972 1.00 29.32 N ATOM 32 CA TYR A 4 62.300 17.178 27.216 1.00 29.16 C ATOM 33 C TYR A 4 62.045 15.689 27.413 1.00 29.47 C ATOM 34 O TYR A 4 62.973 14.917 27.656 1.00 30.11 O ATOM 35 CB TYR A 4 62.484 17.474 25.725 1.00 29.28 C ATOM 36 CG TYR A 4 62.103 18.881 25.317 1.00 28.49 C ATOM 37 CD1 TYR A 4 62.756 19.987 25.846 1.00 28.74 C ATOM 38 CD2 TYR A 4 61.088 19.101 24.395 1.00 26.60 C ATOM 39 CE1 TYR A 4 62.409 21.269 25.468 1.00 29.38 C ATOM 40 CE2 TYR A 4 60.736 20.380 24.010 1.00 26.79 C ATOM 41 CZ TYR A 4 61.399 21.460 24.550 1.00 28.64 C ATOM 42 OH TYR A 4 61.050 22.737 24.169 1.00 30.05 O ATOM 0 H TYR A 4 64.304 17.041 27.815 1.00 29.32 H new ATOM 0 HA TYR A 4 61.439 17.734 27.588 1.00 29.16 H new ATOM 0 HB2 TYR A 4 63.527 17.301 25.458 1.00 29.28 H new ATOM 0 HB3 TYR A 4 61.886 16.767 25.150 1.00 29.28 H new ATOM 0 HD1 TYR A 4 63.549 19.842 26.565 1.00 28.74 H new ATOM 0 HD2 TYR A 4 60.564 18.257 23.971 1.00 26.60 H new ATOM 0 HE1 TYR A 4 62.927 22.118 25.890 1.00 29.38 H new ATOM 0 HE2 TYR A 4 59.946 20.532 23.290 1.00 26.79 H new ATOM 0 HH TYR A 4 60.989 23.310 24.962 1.00 30.05 H new ATOM 52 N ILE A 5 60.781 15.295 27.306 1.00 29.15 N ATOM 53 CA ILE A 5 60.397 13.899 27.454 1.00 29.28 C ATOM 54 C ILE A 5 59.802 13.387 26.147 1.00 29.81 C ATOM 55 O ILE A 5 58.871 13.984 25.604 1.00 30.57 O ATOM 56 CB ILE A 5 59.392 13.688 28.613 1.00 28.41 C ATOM 57 CG1 ILE A 5 59.085 12.196 28.787 1.00 28.15 C ATOM 58 CG2 ILE A 5 58.109 14.478 28.378 1.00 28.40 C ATOM 59 CD1 ILE A 5 58.236 11.889 30.002 1.00 27.84 C ATOM 0 H ILE A 5 60.003 15.927 27.116 1.00 29.15 H new ATOM 0 HA ILE A 5 61.297 13.334 27.698 1.00 29.28 H new ATOM 0 HB ILE A 5 59.849 14.059 29.531 1.00 28.41 H new ATOM 0 HG12 ILE A 5 58.574 11.833 27.896 1.00 28.15 H new ATOM 0 HG13 ILE A 5 60.024 11.647 28.862 1.00 28.15 H new ATOM 0 HG21 ILE A 5 57.422 14.311 29.207 1.00 28.40 H new ATOM 0 HG22 ILE A 5 58.343 15.540 28.309 1.00 28.40 H new ATOM 0 HG23 ILE A 5 57.644 14.148 27.449 1.00 28.40 H new ATOM 0 HD11 ILE A 5 58.059 10.815 30.061 1.00 27.84 H new ATOM 0 HD12 ILE A 5 58.754 12.221 30.901 1.00 27.84 H new ATOM 0 HD13 ILE A 5 57.282 12.410 29.920 1.00 27.84 H new ATOM 71 N VAL A 6 60.343 12.285 25.646 1.00 29.56 N ATOM 72 CA VAL A 6 59.874 11.711 24.394 1.00 29.47 C ATOM 73 C VAL A 6 58.466 11.152 24.546 1.00 29.89 C ATOM 74 O VAL A 6 58.186 10.381 25.465 1.00 29.99 O ATOM 75 CB VAL A 6 60.811 10.595 23.887 1.00 30.29 C ATOM 76 CG1 VAL A 6 60.376 10.113 22.511 1.00 31.15 C ATOM 77 CG2 VAL A 6 62.257 11.074 23.854 1.00 29.36 C ATOM 0 H VAL A 6 61.106 11.772 26.087 1.00 29.56 H new ATOM 0 HA VAL A 6 59.868 12.518 23.661 1.00 29.47 H new ATOM 0 HB VAL A 6 60.746 9.757 24.581 1.00 30.29 H new ATOM 0 HG11 VAL A 6 61.050 9.326 22.171 1.00 31.15 H new ATOM 0 HG12 VAL A 6 59.360 9.722 22.567 1.00 31.15 H new ATOM 0 HG13 VAL A 6 60.406 10.945 21.808 1.00 31.15 H new ATOM 0 HG21 VAL A 6 62.898 10.270 23.493 1.00 29.36 H new ATOM 0 HG22 VAL A 6 62.341 11.932 23.187 1.00 29.36 H new ATOM 0 HG23 VAL A 6 62.568 11.363 24.858 1.00 29.36 H new ATOM 87 N GLU A 7 57.584 11.560 23.642 1.00 30.09 N ATOM 88 CA GLU A 7 56.201 11.103 23.652 1.00 29.69 C ATOM 89 C GLU A 7 55.927 10.176 22.465 1.00 29.64 C ATOM 90 O GLU A 7 54.994 9.371 22.500 1.00 29.82 O ATOM 91 CB GLU A 7 55.248 12.302 23.624 1.00 29.23 C ATOM 92 CG GLU A 7 53.789 11.935 23.844 1.00 30.93 C ATOM 93 CD GLU A 7 52.889 13.152 23.931 1.00 33.77 C ATOM 94 OE1 GLU A 7 52.771 13.727 25.035 1.00 33.85 O ATOM 95 OE2 GLU A 7 52.304 13.535 22.896 1.00 37.96 O ATOM 0 H GLU A 7 57.805 12.211 22.888 1.00 30.09 H new ATOM 0 HA GLU A 7 56.031 10.540 24.570 1.00 29.69 H new ATOM 0 HB2 GLU A 7 55.553 13.014 24.391 1.00 29.23 H new ATOM 0 HB3 GLU A 7 55.344 12.808 22.663 1.00 29.23 H new ATOM 0 HG2 GLU A 7 53.452 11.296 23.028 1.00 30.93 H new ATOM 0 HG3 GLU A 7 53.699 11.354 24.762 1.00 30.93 H new ATOM 102 N TYR A 8 56.743 10.299 21.414 1.00 29.48 N ATOM 103 CA TYR A 8 56.603 9.471 20.221 1.00 29.39 C ATOM 104 C TYR A 8 57.960 8.922 19.793 1.00 29.65 C ATOM 105 O TYR A 8 58.973 9.622 19.862 1.00 29.97 O ATOM 106 CB TYR A 8 55.981 10.282 19.081 1.00 28.72 C ATOM 107 CG TYR A 8 54.614 10.840 19.406 1.00 28.86 C ATOM 108 CD1 TYR A 8 53.496 10.016 19.448 1.00 27.36 C ATOM 109 CD2 TYR A 8 54.441 12.194 19.675 1.00 28.78 C ATOM 110 CE1 TYR A 8 52.246 10.523 19.747 1.00 26.64 C ATOM 111 CE2 TYR A 8 53.195 12.707 19.976 1.00 25.45 C ATOM 112 CZ TYR A 8 52.101 11.868 20.011 1.00 25.68 C ATOM 113 OH TYR A 8 50.856 12.375 20.310 1.00 28.95 O ATOM 0 H TYR A 8 57.511 10.969 21.369 1.00 29.48 H new ATOM 0 HA TYR A 8 55.945 8.634 20.456 1.00 29.39 H new ATOM 0 HB2 TYR A 8 56.648 11.105 18.827 1.00 28.72 H new ATOM 0 HB3 TYR A 8 55.904 9.649 18.197 1.00 28.72 H new ATOM 0 HD1 TYR A 8 53.606 8.961 19.243 1.00 27.36 H new ATOM 0 HD2 TYR A 8 55.295 12.854 19.648 1.00 28.78 H new ATOM 0 HE1 TYR A 8 51.387 9.869 19.774 1.00 26.64 H new ATOM 0 HE2 TYR A 8 53.078 13.760 20.183 1.00 25.45 H new ATOM 0 HH TYR A 8 50.901 12.881 21.148 1.00 28.95 H new ATOM 123 N ASP A 9 57.976 7.666 19.351 1.00 29.76 N ATOM 124 CA ASP A 9 59.213 7.025 18.912 1.00 29.81 C ATOM 125 C ASP A 9 59.671 7.596 17.570 1.00 29.68 C ATOM 126 O ASP A 9 58.862 7.791 16.660 1.00 29.46 O ATOM 127 CB ASP A 9 59.027 5.505 18.807 1.00 30.13 C ATOM 128 CG ASP A 9 57.965 5.108 17.796 1.00 30.81 C ATOM 129 OD1 ASP A 9 56.768 5.116 18.157 1.00 32.05 O ATOM 130 OD2 ASP A 9 58.331 4.788 16.646 1.00 30.72 O ATOM 0 H ASP A 9 57.148 7.073 19.288 1.00 29.76 H new ATOM 0 HA ASP A 9 59.983 7.230 19.656 1.00 29.81 H new ATOM 0 HB2 ASP A 9 59.976 5.046 18.529 1.00 30.13 H new ATOM 0 HB3 ASP A 9 58.756 5.109 19.786 1.00 30.13 H new ATOM 135 N TYR A 10 60.972 7.862 17.455 1.00 29.78 N ATOM 136 CA TYR A 10 61.540 8.418 16.231 1.00 30.21 C ATOM 137 C TYR A 10 62.855 7.736 15.878 1.00 30.35 C ATOM 138 O TYR A 10 63.755 7.630 16.712 1.00 30.57 O ATOM 139 CB TYR A 10 61.761 9.925 16.383 1.00 31.02 C ATOM 140 CG TYR A 10 62.216 10.605 15.110 1.00 31.33 C ATOM 141 CD1 TYR A 10 61.365 10.721 14.018 1.00 32.60 C ATOM 142 CD2 TYR A 10 63.497 11.131 15.002 1.00 30.04 C ATOM 143 CE1 TYR A 10 61.777 11.341 12.855 1.00 31.19 C ATOM 144 CE2 TYR A 10 63.916 11.753 13.843 1.00 29.34 C ATOM 145 CZ TYR A 10 63.053 11.856 12.771 1.00 31.13 C ATOM 146 OH TYR A 10 63.466 12.475 11.613 1.00 33.98 O ATOM 0 H TYR A 10 61.652 7.700 18.198 1.00 29.78 H new ATOM 0 HA TYR A 10 60.831 8.240 15.422 1.00 30.21 H new ATOM 0 HB2 TYR A 10 60.833 10.387 16.719 1.00 31.02 H new ATOM 0 HB3 TYR A 10 62.504 10.098 17.162 1.00 31.02 H new ATOM 0 HD1 TYR A 10 60.364 10.319 14.080 1.00 32.60 H new ATOM 0 HD2 TYR A 10 64.176 11.052 15.838 1.00 30.04 H new ATOM 0 HE1 TYR A 10 61.103 11.422 12.015 1.00 31.19 H new ATOM 0 HE2 TYR A 10 64.915 12.157 13.775 1.00 29.34 H new ATOM 0 HH TYR A 10 62.695 12.888 11.170 1.00 33.98 H new ATOM 156 N ASP A 11 62.954 7.274 14.633 1.00 30.13 N ATOM 157 CA ASP A 11 64.159 6.605 14.152 1.00 30.20 C ATOM 158 C ASP A 11 65.226 7.630 13.781 1.00 30.27 C ATOM 159 O ASP A 11 64.913 8.788 13.495 1.00 30.27 O ATOM 160 CB ASP A 11 63.835 5.716 12.946 1.00 30.58 C ATOM 161 CG ASP A 11 63.359 6.507 11.741 1.00 33.58 C ATOM 162 OD1 ASP A 11 62.160 6.852 11.691 1.00 34.44 O ATOM 163 OD2 ASP A 11 64.188 6.785 10.849 1.00 36.69 O ATOM 0 H ASP A 11 62.211 7.352 13.938 1.00 30.13 H new ATOM 0 HA ASP A 11 64.545 5.975 14.954 1.00 30.20 H new ATOM 0 HB2 ASP A 11 64.723 5.146 12.672 1.00 30.58 H new ATOM 0 HB3 ASP A 11 63.067 4.995 13.228 1.00 30.58 H new ATOM 168 N ALA A 12 66.484 7.200 13.783 1.00 30.24 N ATOM 169 CA ALA A 12 67.591 8.087 13.450 1.00 30.06 C ATOM 170 C ALA A 12 68.146 7.778 12.064 1.00 30.11 C ATOM 171 O ALA A 12 68.978 6.882 11.902 1.00 30.10 O ATOM 172 CB ALA A 12 68.690 7.988 14.498 1.00 30.62 C ATOM 0 H ALA A 12 66.761 6.245 14.011 1.00 30.24 H new ATOM 0 HA ALA A 12 67.211 9.108 13.441 1.00 30.06 H new ATOM 0 HB1 ALA A 12 69.508 8.658 14.232 1.00 30.62 H new ATOM 0 HB2 ALA A 12 68.291 8.272 15.472 1.00 30.62 H new ATOM 0 HB3 ALA A 12 69.060 6.964 14.542 1.00 30.62 H new ATOM 178 N VAL A 13 67.672 8.520 11.065 1.00 29.95 N ATOM 179 CA VAL A 13 68.126 8.344 9.690 1.00 29.45 C ATOM 180 C VAL A 13 69.528 8.919 9.531 1.00 29.31 C ATOM 181 O VAL A 13 70.359 8.368 8.807 1.00 29.46 O ATOM 182 CB VAL A 13 67.176 9.034 8.684 1.00 29.06 C ATOM 183 CG1 VAL A 13 67.622 8.775 7.251 1.00 30.56 C ATOM 184 CG2 VAL A 13 65.740 8.571 8.891 1.00 29.65 C ATOM 0 H VAL A 13 66.971 9.251 11.185 1.00 29.95 H new ATOM 0 HA VAL A 13 68.132 7.275 9.478 1.00 29.45 H new ATOM 0 HB VAL A 13 67.218 10.108 8.864 1.00 29.06 H new ATOM 0 HG11 VAL A 13 66.938 9.270 6.562 1.00 30.56 H new ATOM 0 HG12 VAL A 13 68.629 9.166 7.107 1.00 30.56 H new ATOM 0 HG13 VAL A 13 67.618 7.702 7.057 1.00 30.56 H new ATOM 0 HG21 VAL A 13 65.090 9.070 8.172 1.00 29.65 H new ATOM 0 HG22 VAL A 13 65.681 7.492 8.746 1.00 29.65 H new ATOM 0 HG23 VAL A 13 65.420 8.819 9.903 1.00 29.65 H new ATOM 194 N HIS A 14 69.777 10.035 10.217 1.00 29.13 N ATOM 195 CA HIS A 14 71.076 10.691 10.173 1.00 28.39 C ATOM 196 C HIS A 14 71.961 10.214 11.321 1.00 29.24 C ATOM 197 O HIS A 14 71.480 9.596 12.274 1.00 29.61 O ATOM 198 CB HIS A 14 70.913 12.212 10.232 1.00 27.81 C ATOM 199 CG HIS A 14 70.284 12.795 9.004 1.00 25.07 C ATOM 200 ND1 HIS A 14 71.012 13.190 7.901 1.00 22.40 N ATOM 201 CD2 HIS A 14 68.987 13.050 8.706 1.00 23.14 C ATOM 202 CE1 HIS A 14 70.192 13.662 6.980 1.00 22.51 C ATOM 203 NE2 HIS A 14 68.958 13.587 7.444 1.00 22.51 N ATOM 0 H HIS A 14 69.091 10.502 10.810 1.00 29.13 H new ATOM 0 HA HIS A 14 71.556 10.427 9.231 1.00 28.39 H new ATOM 0 HB2 HIS A 14 70.305 12.471 11.099 1.00 27.81 H new ATOM 0 HB3 HIS A 14 71.892 12.669 10.381 1.00 27.81 H new ATOM 0 HD2 HIS A 14 68.135 12.865 9.343 1.00 23.14 H new ATOM 0 HE1 HIS A 14 70.481 14.044 6.012 1.00 22.51 H new ATOM 0 HE2 HIS A 14 68.119 13.881 6.945 1.00 22.51 H new ATOM 212 N ASP A 15 73.254 10.511 11.226 1.00 29.77 N ATOM 213 CA ASP A 15 74.213 10.114 12.252 1.00 30.43 C ATOM 214 C ASP A 15 74.069 10.985 13.498 1.00 30.50 C ATOM 215 O ASP A 15 74.264 10.514 14.620 1.00 31.20 O ATOM 216 CB ASP A 15 75.646 10.199 11.713 1.00 30.36 C ATOM 217 CG ASP A 15 76.024 11.605 11.273 1.00 32.92 C ATOM 218 OD1 ASP A 15 75.690 11.979 10.128 1.00 32.02 O ATOM 219 OD2 ASP A 15 76.652 12.330 12.073 1.00 35.80 O ATOM 0 H ASP A 15 73.662 11.027 10.447 1.00 29.77 H new ATOM 0 HA ASP A 15 74.002 9.080 12.527 1.00 30.43 H new ATOM 0 HB2 ASP A 15 76.340 9.865 12.484 1.00 30.36 H new ATOM 0 HB3 ASP A 15 75.754 9.517 10.869 1.00 30.36 H new ATOM 224 N ASP A 16 73.722 12.255 13.290 1.00 30.30 N ATOM 225 CA ASP A 16 73.537 13.193 14.391 1.00 30.17 C ATOM 226 C ASP A 16 72.061 13.283 14.790 1.00 30.41 C ATOM 227 O ASP A 16 71.653 14.223 15.471 1.00 30.40 O ATOM 228 CB ASP A 16 74.069 14.577 14.004 1.00 30.03 C ATOM 229 CG ASP A 16 73.387 15.144 12.771 1.00 31.37 C ATOM 230 OD1 ASP A 16 73.820 14.811 11.647 1.00 32.50 O ATOM 231 OD2 ASP A 16 72.419 15.917 12.930 1.00 32.58 O ATOM 0 H ASP A 16 73.564 12.656 12.366 1.00 30.30 H new ATOM 0 HA ASP A 16 74.100 12.827 15.250 1.00 30.17 H new ATOM 0 HB2 ASP A 16 73.928 15.263 14.840 1.00 30.03 H new ATOM 0 HB3 ASP A 16 75.142 14.512 13.823 1.00 30.03 H new ATOM 236 N GLU A 17 71.266 12.293 14.370 1.00 29.99 N ATOM 237 CA GLU A 17 69.847 12.256 14.684 1.00 30.29 C ATOM 238 C GLU A 17 69.602 11.347 15.885 1.00 30.27 C ATOM 239 O GLU A 17 70.053 10.201 15.905 1.00 30.41 O ATOM 240 CB GLU A 17 69.054 11.764 13.471 1.00 30.81 C ATOM 241 CG GLU A 17 67.562 12.032 13.560 1.00 31.61 C ATOM 242 CD GLU A 17 66.869 11.896 12.218 1.00 33.47 C ATOM 243 OE1 GLU A 17 66.976 12.833 11.399 1.00 33.82 O ATOM 244 OE2 GLU A 17 66.225 10.855 11.983 1.00 36.11 O ATOM 0 H GLU A 17 71.591 11.506 13.809 1.00 29.99 H new ATOM 0 HA GLU A 17 69.511 13.262 14.934 1.00 30.29 H new ATOM 0 HB2 GLU A 17 69.446 12.244 12.574 1.00 30.81 H new ATOM 0 HB3 GLU A 17 69.214 10.692 13.355 1.00 30.81 H new ATOM 0 HG2 GLU A 17 67.113 11.338 14.270 1.00 31.61 H new ATOM 0 HG3 GLU A 17 67.399 13.037 13.950 1.00 31.61 H new ATOM 251 N LEU A 18 68.889 11.861 16.882 1.00 30.14 N ATOM 252 CA LEU A 18 68.603 11.092 18.089 1.00 30.21 C ATOM 253 C LEU A 18 67.404 10.172 17.885 1.00 30.38 C ATOM 254 O LEU A 18 66.350 10.604 17.411 1.00 30.74 O ATOM 255 CB LEU A 18 68.350 12.019 19.283 1.00 30.00 C ATOM 256 CG LEU A 18 69.541 12.206 20.229 1.00 30.27 C ATOM 257 CD1 LEU A 18 69.148 13.073 21.415 1.00 28.58 C ATOM 258 CD2 LEU A 18 70.069 10.857 20.705 1.00 28.44 C ATOM 0 H LEU A 18 68.500 12.804 16.879 1.00 30.14 H new ATOM 0 HA LEU A 18 69.479 10.479 18.300 1.00 30.21 H new ATOM 0 HB2 LEU A 18 68.049 12.997 18.906 1.00 30.00 H new ATOM 0 HB3 LEU A 18 67.510 11.626 19.856 1.00 30.00 H new ATOM 0 HG LEU A 18 70.337 12.710 19.681 1.00 30.27 H new ATOM 0 HD11 LEU A 18 70.006 13.195 22.076 1.00 28.58 H new ATOM 0 HD12 LEU A 18 68.822 14.050 21.059 1.00 28.58 H new ATOM 0 HD13 LEU A 18 68.334 12.596 21.961 1.00 28.58 H new ATOM 0 HD21 LEU A 18 70.914 11.013 21.375 1.00 28.44 H new ATOM 0 HD22 LEU A 18 69.280 10.324 21.234 1.00 28.44 H new ATOM 0 HD23 LEU A 18 70.391 10.269 19.846 1.00 28.44 H new ATOM 270 N THR A 19 67.576 8.901 18.245 1.00 30.23 N ATOM 271 CA THR A 19 66.506 7.917 18.120 1.00 29.85 C ATOM 272 C THR A 19 65.633 7.942 19.376 1.00 30.16 C ATOM 273 O THR A 19 65.585 6.971 20.137 1.00 30.81 O ATOM 274 CB THR A 19 67.064 6.491 17.903 1.00 28.87 C ATOM 275 OG1 THR A 19 68.077 6.507 16.890 1.00 30.34 O ATOM 276 CG2 THR A 19 65.959 5.527 17.495 1.00 27.27 C ATOM 0 H THR A 19 68.447 8.530 18.625 1.00 30.23 H new ATOM 0 HA THR A 19 65.909 8.181 17.247 1.00 29.85 H new ATOM 0 HB THR A 19 67.493 6.152 18.846 1.00 28.87 H new ATOM 0 HG1 THR A 19 68.425 5.600 16.761 1.00 30.34 H new ATOM 0 HG21 THR A 19 66.380 4.532 17.349 1.00 27.27 H new ATOM 0 HG22 THR A 19 65.201 5.489 18.278 1.00 27.27 H new ATOM 0 HG23 THR A 19 65.503 5.868 16.565 1.00 27.27 H new ATOM 284 N ILE A 20 64.954 9.069 19.593 1.00 30.01 N ATOM 285 CA ILE A 20 64.099 9.255 20.764 1.00 29.56 C ATOM 286 C ILE A 20 62.956 8.243 20.824 1.00 29.93 C ATOM 287 O ILE A 20 62.204 8.076 19.863 1.00 30.39 O ATOM 288 CB ILE A 20 63.509 10.684 20.811 1.00 29.12 C ATOM 289 CG1 ILE A 20 62.784 11.022 19.502 1.00 29.01 C ATOM 290 CG2 ILE A 20 64.606 11.702 21.092 1.00 26.69 C ATOM 291 CD1 ILE A 20 62.079 12.361 19.528 1.00 23.44 C ATOM 0 H ILE A 20 64.981 9.873 18.966 1.00 30.01 H new ATOM 0 HA ILE A 20 64.743 9.096 21.629 1.00 29.56 H new ATOM 0 HB ILE A 20 62.780 10.725 21.621 1.00 29.12 H new ATOM 0 HG12 ILE A 20 63.505 11.017 18.685 1.00 29.01 H new ATOM 0 HG13 ILE A 20 62.054 10.241 19.288 1.00 29.01 H new ATOM 0 HG21 ILE A 20 64.175 12.703 21.122 1.00 26.69 H new ATOM 0 HG22 ILE A 20 65.072 11.479 22.052 1.00 26.69 H new ATOM 0 HG23 ILE A 20 65.357 11.654 20.304 1.00 26.69 H new ATOM 0 HD11 ILE A 20 61.589 12.533 18.570 1.00 23.44 H new ATOM 0 HD12 ILE A 20 61.333 12.364 20.323 1.00 23.44 H new ATOM 0 HD13 ILE A 20 62.807 13.152 19.710 1.00 23.44 H new ATOM 303 N ARG A 21 62.844 7.568 21.966 1.00 29.61 N ATOM 304 CA ARG A 21 61.791 6.583 22.191 1.00 29.35 C ATOM 305 C ARG A 21 60.868 7.064 23.306 1.00 29.47 C ATOM 306 O ARG A 21 61.339 7.595 24.312 1.00 29.56 O ATOM 307 CB ARG A 21 62.402 5.228 22.560 1.00 28.81 C ATOM 308 CG ARG A 21 61.371 4.146 22.847 1.00 27.09 C ATOM 309 CD ARG A 21 62.017 2.895 23.424 1.00 24.85 C ATOM 310 NE ARG A 21 62.630 3.141 24.731 1.00 22.16 N ATOM 311 CZ ARG A 21 63.288 2.215 25.438 1.00 21.44 C ATOM 312 NH1 ARG A 21 63.427 0.977 24.968 1.00 18.82 N ATOM 313 NH2 ARG A 21 63.808 2.531 26.620 1.00 20.39 N ATOM 0 H ARG A 21 63.477 7.688 22.757 1.00 29.61 H new ATOM 0 HA ARG A 21 61.213 6.465 21.274 1.00 29.35 H new ATOM 0 HB2 ARG A 21 63.046 4.896 21.745 1.00 28.81 H new ATOM 0 HB3 ARG A 21 63.037 5.353 23.437 1.00 28.81 H new ATOM 0 HG2 ARG A 21 60.627 4.528 23.547 1.00 27.09 H new ATOM 0 HG3 ARG A 21 60.843 3.893 21.928 1.00 27.09 H new ATOM 0 HD2 ARG A 21 61.266 2.111 23.519 1.00 24.85 H new ATOM 0 HD3 ARG A 21 62.775 2.528 22.732 1.00 24.85 H new ATOM 0 HE ARG A 21 62.550 4.077 25.127 1.00 22.16 H new ATOM 0 HH11 ARG A 21 63.030 0.728 24.062 1.00 18.82 H new ATOM 0 HH12 ARG A 21 63.930 0.278 25.514 1.00 18.82 H new ATOM 0 HH21 ARG A 21 63.705 3.477 26.986 1.00 20.39 H new ATOM 0 HH22 ARG A 21 64.310 1.827 27.161 1.00 20.39 H new ATOM 327 N VAL A 22 59.558 6.880 23.127 1.00 29.39 N ATOM 328 CA VAL A 22 58.571 7.311 24.121 1.00 29.82 C ATOM 329 C VAL A 22 58.999 6.944 25.542 1.00 30.17 C ATOM 330 O VAL A 22 59.285 5.781 25.833 1.00 30.31 O ATOM 331 CB VAL A 22 57.179 6.693 23.851 1.00 30.17 C ATOM 332 CG1 VAL A 22 56.133 7.296 24.778 1.00 31.46 C ATOM 333 CG2 VAL A 22 56.774 6.875 22.395 1.00 29.01 C ATOM 0 H VAL A 22 59.155 6.435 22.302 1.00 29.39 H new ATOM 0 HA VAL A 22 58.509 8.396 24.032 1.00 29.82 H new ATOM 0 HB VAL A 22 57.241 5.624 24.053 1.00 30.17 H new ATOM 0 HG11 VAL A 22 55.161 6.847 24.571 1.00 31.46 H new ATOM 0 HG12 VAL A 22 56.409 7.101 25.814 1.00 31.46 H new ATOM 0 HG13 VAL A 22 56.078 8.372 24.613 1.00 31.46 H new ATOM 0 HG21 VAL A 22 55.792 6.432 22.232 1.00 29.01 H new ATOM 0 HG22 VAL A 22 56.736 7.938 22.158 1.00 29.01 H new ATOM 0 HG23 VAL A 22 57.504 6.386 21.750 1.00 29.01 H new ATOM 343 N GLY A 23 59.041 7.948 26.418 1.00 30.09 N ATOM 344 CA GLY A 23 59.425 7.721 27.799 1.00 30.09 C ATOM 345 C GLY A 23 60.831 8.201 28.123 1.00 30.28 C ATOM 346 O GLY A 23 61.157 8.411 29.293 1.00 30.60 O ATOM 0 H GLY A 23 58.815 8.917 26.192 1.00 30.09 H new ATOM 0 HA2 GLY A 23 58.716 8.229 28.453 1.00 30.09 H new ATOM 0 HA3 GLY A 23 59.354 6.655 28.017 1.00 30.09 H new ATOM 350 N GLU A 24 61.668 8.378 27.098 1.00 30.33 N ATOM 351 CA GLU A 24 63.045 8.822 27.299 1.00 30.48 C ATOM 352 C GLU A 24 63.116 10.316 27.602 1.00 30.44 C ATOM 353 O GLU A 24 62.314 11.102 27.100 1.00 31.01 O ATOM 354 CB GLU A 24 63.894 8.507 26.062 1.00 30.44 C ATOM 355 CG GLU A 24 64.002 7.020 25.751 1.00 31.30 C ATOM 356 CD GLU A 24 64.707 6.241 26.846 1.00 34.49 C ATOM 357 OE1 GLU A 24 65.956 6.243 26.867 1.00 35.80 O ATOM 358 OE2 GLU A 24 64.010 5.628 27.682 1.00 33.15 O ATOM 0 H GLU A 24 61.415 8.220 26.123 1.00 30.33 H new ATOM 0 HA GLU A 24 63.440 8.281 28.159 1.00 30.48 H new ATOM 0 HB2 GLU A 24 63.466 9.019 25.200 1.00 30.44 H new ATOM 0 HB3 GLU A 24 64.896 8.912 26.208 1.00 30.44 H new ATOM 0 HG2 GLU A 24 63.003 6.610 25.605 1.00 31.30 H new ATOM 0 HG3 GLU A 24 64.541 6.888 24.813 1.00 31.30 H new ATOM 365 N ILE A 25 64.087 10.695 28.432 1.00 29.91 N ATOM 366 CA ILE A 25 64.290 12.093 28.798 1.00 29.69 C ATOM 367 C ILE A 25 65.563 12.625 28.152 1.00 29.98 C ATOM 368 O ILE A 25 66.642 12.051 28.316 1.00 30.38 O ATOM 369 CB ILE A 25 64.363 12.291 30.331 1.00 29.62 C ATOM 370 CG1 ILE A 25 65.380 11.330 30.961 1.00 29.46 C ATOM 371 CG2 ILE A 25 62.985 12.098 30.953 1.00 29.30 C ATOM 372 CD1 ILE A 25 65.609 11.569 32.438 1.00 30.29 C ATOM 0 H ILE A 25 64.747 10.049 28.864 1.00 29.91 H new ATOM 0 HA ILE A 25 63.428 12.650 28.432 1.00 29.69 H new ATOM 0 HB ILE A 25 64.697 13.309 30.530 1.00 29.62 H new ATOM 0 HG12 ILE A 25 65.036 10.306 30.817 1.00 29.46 H new ATOM 0 HG13 ILE A 25 66.330 11.425 30.435 1.00 29.46 H new ATOM 0 HG21 ILE A 25 63.050 12.240 32.032 1.00 29.30 H new ATOM 0 HG22 ILE A 25 62.291 12.825 30.532 1.00 29.30 H new ATOM 0 HG23 ILE A 25 62.628 11.090 30.740 1.00 29.30 H new ATOM 0 HD11 ILE A 25 66.339 10.852 32.814 1.00 30.29 H new ATOM 0 HD12 ILE A 25 65.983 12.582 32.589 1.00 30.29 H new ATOM 0 HD13 ILE A 25 64.669 11.445 32.977 1.00 30.29 H new ATOM 384 N ILE A 26 65.433 13.722 27.412 1.00 29.87 N ATOM 385 CA ILE A 26 66.575 14.320 26.731 1.00 29.43 C ATOM 386 C ILE A 26 67.184 15.431 27.578 1.00 29.27 C ATOM 387 O ILE A 26 66.519 16.417 27.900 1.00 29.24 O ATOM 388 CB ILE A 26 66.196 14.883 25.348 1.00 29.75 C ATOM 389 CG1 ILE A 26 65.174 13.981 24.641 1.00 29.52 C ATOM 390 CG2 ILE A 26 67.447 15.043 24.497 1.00 30.89 C ATOM 391 CD1 ILE A 26 65.655 12.564 24.419 1.00 32.07 C ATOM 0 H ILE A 26 64.551 14.213 27.269 1.00 29.87 H new ATOM 0 HA ILE A 26 67.307 13.525 26.586 1.00 29.43 H new ATOM 0 HB ILE A 26 65.732 15.859 25.489 1.00 29.75 H new ATOM 0 HG12 ILE A 26 64.258 13.955 25.231 1.00 29.52 H new ATOM 0 HG13 ILE A 26 64.920 14.423 23.678 1.00 29.52 H new ATOM 0 HG21 ILE A 26 67.174 15.441 23.520 1.00 30.89 H new ATOM 0 HG22 ILE A 26 68.136 15.729 24.989 1.00 30.89 H new ATOM 0 HG23 ILE A 26 67.928 14.073 24.372 1.00 30.89 H new ATOM 0 HD11 ILE A 26 64.877 11.990 23.915 1.00 32.07 H new ATOM 0 HD12 ILE A 26 66.554 12.577 23.802 1.00 32.07 H new ATOM 0 HD13 ILE A 26 65.881 12.102 25.380 1.00 32.07 H new ATOM 403 N ARG A 27 68.456 15.262 27.930 1.00 28.99 N ATOM 404 CA ARG A 27 69.164 16.231 28.762 1.00 29.24 C ATOM 405 C ARG A 27 69.555 17.480 27.978 1.00 29.28 C ATOM 406 O ARG A 27 70.177 17.391 26.918 1.00 29.72 O ATOM 407 CB ARG A 27 70.414 15.590 29.368 1.00 28.90 C ATOM 408 CG ARG A 27 70.115 14.397 30.264 1.00 28.44 C ATOM 409 CD ARG A 27 71.390 13.692 30.700 1.00 27.70 C ATOM 410 NE ARG A 27 72.100 13.084 29.573 1.00 24.46 N ATOM 411 CZ ARG A 27 73.342 12.601 29.644 1.00 23.71 C ATOM 412 NH1 ARG A 27 74.022 12.647 30.787 1.00 22.46 N ATOM 413 NH2 ARG A 27 73.906 12.066 28.568 1.00 19.02 N ATOM 0 H ARG A 27 69.020 14.459 27.650 1.00 28.99 H new ATOM 0 HA ARG A 27 68.484 16.536 29.557 1.00 29.24 H new ATOM 0 HB2 ARG A 27 71.075 15.272 28.562 1.00 28.90 H new ATOM 0 HB3 ARG A 27 70.953 16.341 29.945 1.00 28.90 H new ATOM 0 HG2 ARG A 27 69.564 14.731 31.143 1.00 28.44 H new ATOM 0 HG3 ARG A 27 69.473 13.694 29.733 1.00 28.44 H new ATOM 0 HD2 ARG A 27 72.046 14.406 31.197 1.00 27.70 H new ATOM 0 HD3 ARG A 27 71.145 12.921 31.431 1.00 27.70 H new ATOM 0 HE ARG A 27 71.615 13.026 28.678 1.00 24.46 H new ATOM 0 HH11 ARG A 27 73.594 13.054 31.619 1.00 22.46 H new ATOM 0 HH12 ARG A 27 74.971 12.275 30.831 1.00 22.46 H new ATOM 0 HH21 ARG A 27 73.390 12.025 27.689 1.00 19.02 H new ATOM 0 HH22 ARG A 27 74.855 11.696 28.620 1.00 19.02 H new ATOM 427 N ASN A 28 69.184 18.643 28.516 1.00 28.86 N ATOM 428 CA ASN A 28 69.495 19.934 27.904 1.00 28.88 C ATOM 429 C ASN A 28 69.045 20.003 26.446 1.00 29.38 C ATOM 430 O ASN A 28 69.864 19.942 25.525 1.00 29.65 O ATOM 431 CB ASN A 28 70.995 20.231 28.018 1.00 27.93 C ATOM 432 CG ASN A 28 71.337 21.667 27.659 1.00 28.84 C ATOM 433 OD1 ASN A 28 71.289 22.557 28.509 1.00 29.64 O ATOM 434 ND2 ASN A 28 71.687 21.901 26.398 1.00 28.08 N ATOM 0 H ASN A 28 68.660 18.715 29.388 1.00 28.86 H new ATOM 0 HA ASN A 28 68.938 20.696 28.450 1.00 28.88 H new ATOM 0 HB2 ASN A 28 71.325 20.027 29.036 1.00 27.93 H new ATOM 0 HB3 ASN A 28 71.546 19.556 27.363 1.00 27.93 H new ATOM 0 HD21 ASN A 28 71.929 22.847 26.103 1.00 28.08 H new ATOM 0 HD22 ASN A 28 71.714 21.135 25.726 1.00 28.08 H new ATOM 441 N VAL A 29 67.735 20.113 26.243 1.00 29.23 N ATOM 442 CA VAL A 29 67.176 20.207 24.900 1.00 29.16 C ATOM 443 C VAL A 29 67.033 21.661 24.463 1.00 29.69 C ATOM 444 O VAL A 29 66.198 22.401 24.989 1.00 30.31 O ATOM 445 CB VAL A 29 65.803 19.516 24.809 1.00 28.68 C ATOM 446 CG1 VAL A 29 65.231 19.631 23.404 1.00 29.28 C ATOM 447 CG2 VAL A 29 65.916 18.061 25.228 1.00 28.81 C ATOM 0 H VAL A 29 67.042 20.139 26.991 1.00 29.23 H new ATOM 0 HA VAL A 29 67.873 19.698 24.234 1.00 29.16 H new ATOM 0 HB VAL A 29 65.118 20.019 25.492 1.00 28.68 H new ATOM 0 HG11 VAL A 29 64.261 19.135 23.364 1.00 29.28 H new ATOM 0 HG12 VAL A 29 65.112 20.683 23.145 1.00 29.28 H new ATOM 0 HG13 VAL A 29 65.910 19.157 22.695 1.00 29.28 H new ATOM 0 HG21 VAL A 29 64.938 17.585 25.159 1.00 28.81 H new ATOM 0 HG22 VAL A 29 66.617 17.547 24.571 1.00 28.81 H new ATOM 0 HG23 VAL A 29 66.274 18.005 26.256 1.00 28.81 H new ATOM 457 N LYS A 30 67.860 22.062 23.502 1.00 29.93 N ATOM 458 CA LYS A 30 67.831 23.422 22.979 1.00 30.02 C ATOM 459 C LYS A 30 67.236 23.443 21.577 1.00 29.92 C ATOM 460 O LYS A 30 67.146 22.408 20.913 1.00 29.72 O ATOM 461 CB LYS A 30 69.242 24.016 22.959 1.00 30.09 C ATOM 462 CG LYS A 30 69.829 24.244 24.345 1.00 31.17 C ATOM 463 CD LYS A 30 71.191 24.922 24.278 1.00 36.15 C ATOM 464 CE LYS A 30 71.071 26.441 24.236 1.00 38.13 C ATOM 465 NZ LYS A 30 70.401 26.927 22.996 1.00 38.77 N ATOM 0 H LYS A 30 68.561 21.461 23.069 1.00 29.93 H new ATOM 0 HA LYS A 30 67.204 24.027 23.633 1.00 30.02 H new ATOM 0 HB2 LYS A 30 69.899 23.350 22.401 1.00 30.09 H new ATOM 0 HB3 LYS A 30 69.220 24.965 22.423 1.00 30.09 H new ATOM 0 HG2 LYS A 30 69.146 24.858 24.932 1.00 31.17 H new ATOM 0 HG3 LYS A 30 69.924 23.289 24.861 1.00 31.17 H new ATOM 0 HD2 LYS A 30 71.785 24.629 25.144 1.00 36.15 H new ATOM 0 HD3 LYS A 30 71.725 24.576 23.393 1.00 36.15 H new ATOM 0 HE2 LYS A 30 70.510 26.782 25.106 1.00 38.13 H new ATOM 0 HE3 LYS A 30 72.065 26.883 24.305 1.00 38.13 H new ATOM 0 HZ1 LYS A 30 70.622 27.933 22.853 1.00 38.77 H new ATOM 0 HZ2 LYS A 30 70.741 26.379 22.180 1.00 38.77 H new ATOM 0 HZ3 LYS A 30 69.372 26.808 23.088 1.00 38.77 H new ATOM 479 N LYS A 31 66.828 24.626 21.130 1.00 30.12 N ATOM 480 CA LYS A 31 66.242 24.776 19.803 1.00 30.63 C ATOM 481 C LYS A 31 67.318 25.076 18.765 1.00 30.21 C ATOM 482 O LYS A 31 68.129 25.988 18.942 1.00 29.89 O ATOM 483 CB LYS A 31 65.182 25.885 19.800 1.00 30.91 C ATOM 484 CG LYS A 31 63.754 25.365 19.719 1.00 32.81 C ATOM 485 CD LYS A 31 63.505 24.589 18.430 0.01 32.61 C ATOM 486 CE LYS A 31 63.672 25.468 17.198 0.01 32.87 C ATOM 487 NZ LYS A 31 63.420 24.713 15.940 0.01 32.94 N ATOM 0 H LYS A 31 66.892 25.492 21.665 1.00 30.12 H new ATOM 0 HA LYS A 31 65.761 23.833 19.541 1.00 30.63 H new ATOM 0 HB2 LYS A 31 65.291 26.482 20.705 1.00 30.91 H new ATOM 0 HB3 LYS A 31 65.366 26.549 18.956 1.00 30.91 H new ATOM 0 HG2 LYS A 31 63.553 24.721 20.575 1.00 32.81 H new ATOM 0 HG3 LYS A 31 63.059 26.202 19.779 1.00 32.81 H new ATOM 0 HD2 LYS A 31 64.196 23.748 18.373 0.01 32.61 H new ATOM 0 HD3 LYS A 31 62.498 24.173 18.445 0.01 32.61 H new ATOM 0 HE2 LYS A 31 62.985 26.312 17.259 0.01 32.87 H new ATOM 0 HE3 LYS A 31 64.681 25.879 17.179 0.01 32.87 H new ATOM 0 HZ1 LYS A 31 63.544 25.346 15.124 0.01 32.94 H new ATOM 0 HZ2 LYS A 31 64.092 23.922 15.869 0.01 32.94 H new ATOM 0 HZ3 LYS A 31 62.448 24.342 15.946 0.01 32.94 H new ATOM 501 N LEU A 32 67.317 24.302 17.682 1.00 30.17 N ATOM 502 CA LEU A 32 68.294 24.473 16.613 1.00 30.14 C ATOM 503 C LEU A 32 67.781 25.450 15.559 1.00 30.24 C ATOM 504 O LEU A 32 66.668 25.970 15.669 1.00 30.14 O ATOM 505 CB LEU A 32 68.611 23.120 15.965 1.00 30.00 C ATOM 506 CG LEU A 32 69.335 22.120 16.869 1.00 31.11 C ATOM 507 CD1 LEU A 32 69.397 20.750 16.211 1.00 33.13 C ATOM 508 CD2 LEU A 32 70.736 22.619 17.197 1.00 32.25 C ATOM 0 H LEU A 32 66.648 23.549 17.523 1.00 30.17 H new ATOM 0 HA LEU A 32 69.206 24.883 17.047 1.00 30.14 H new ATOM 0 HB2 LEU A 32 67.678 22.670 15.626 1.00 30.00 H new ATOM 0 HB3 LEU A 32 69.222 23.293 15.079 1.00 30.00 H new ATOM 0 HG LEU A 32 68.774 22.027 17.799 1.00 31.11 H new ATOM 0 HD11 LEU A 32 69.916 20.053 16.870 1.00 33.13 H new ATOM 0 HD12 LEU A 32 68.385 20.389 16.025 1.00 33.13 H new ATOM 0 HD13 LEU A 32 69.935 20.824 15.266 1.00 33.13 H new ATOM 0 HD21 LEU A 32 71.238 21.897 17.841 1.00 32.25 H new ATOM 0 HD22 LEU A 32 71.304 22.740 16.275 1.00 32.25 H new ATOM 0 HD23 LEU A 32 70.670 23.578 17.711 1.00 32.25 H new ATOM 520 N GLN A 33 68.598 25.695 14.535 1.00 30.41 N ATOM 521 CA GLN A 33 68.221 26.606 13.457 1.00 31.42 C ATOM 522 C GLN A 33 67.275 25.925 12.462 1.00 30.40 C ATOM 523 O GLN A 33 66.796 26.563 11.522 1.00 30.64 O ATOM 524 CB GLN A 33 69.468 27.125 12.730 1.00 32.26 C ATOM 525 CG GLN A 33 70.258 28.163 13.516 1.00 36.24 C ATOM 526 CD GLN A 33 70.883 27.600 14.781 1.00 40.54 C ATOM 527 OE1 GLN A 33 71.997 27.079 14.757 1.00 41.78 O ATOM 528 NE2 GLN A 33 70.169 27.710 15.899 1.00 42.18 N ATOM 0 H GLN A 33 69.522 25.276 14.430 1.00 30.41 H new ATOM 0 HA GLN A 33 67.696 27.451 13.903 1.00 31.42 H new ATOM 0 HB2 GLN A 33 70.121 26.282 12.504 1.00 32.26 H new ATOM 0 HB3 GLN A 33 69.166 27.559 11.777 1.00 32.26 H new ATOM 0 HG2 GLN A 33 71.043 28.572 12.880 1.00 36.24 H new ATOM 0 HG3 GLN A 33 69.599 28.990 13.780 1.00 36.24 H new ATOM 0 HE21 GLN A 33 69.249 28.149 15.875 1.00 42.18 H new ATOM 0 HE22 GLN A 33 70.542 27.355 16.779 1.00 42.18 H new ATOM 537 N GLU A 34 67.005 24.634 12.674 1.00 30.02 N ATOM 538 CA GLU A 34 66.111 23.882 11.807 1.00 30.43 C ATOM 539 C GLU A 34 64.742 23.755 12.463 1.00 30.10 C ATOM 540 O GLU A 34 64.618 23.185 13.549 1.00 30.59 O ATOM 541 CB GLU A 34 66.687 22.494 11.515 1.00 30.61 C ATOM 542 CG GLU A 34 68.090 22.521 10.929 1.00 33.14 C ATOM 543 CD GLU A 34 68.671 21.132 10.751 1.00 37.04 C ATOM 544 OE1 GLU A 34 69.292 20.621 11.708 1.00 37.93 O ATOM 545 OE2 GLU A 34 68.504 20.554 9.657 1.00 38.11 O ATOM 0 H GLU A 34 67.397 24.091 13.443 1.00 30.02 H new ATOM 0 HA GLU A 34 66.007 24.416 10.863 1.00 30.43 H new ATOM 0 HB2 GLU A 34 66.700 21.915 12.438 1.00 30.61 H new ATOM 0 HB3 GLU A 34 66.024 21.974 10.823 1.00 30.61 H new ATOM 0 HG2 GLU A 34 68.068 23.029 9.965 1.00 33.14 H new ATOM 0 HG3 GLU A 34 68.741 23.103 11.581 1.00 33.14 H new ATOM 552 N GLU A 35 63.718 24.292 11.801 1.00 30.07 N ATOM 553 CA GLU A 35 62.359 24.238 12.328 0.50 29.78 C ATOM 554 C GLU A 35 61.911 22.791 12.485 1.00 30.09 C ATOM 555 O GLU A 35 61.828 22.047 11.506 1.00 30.43 O ATOM 556 CB GLU A 35 61.391 25.000 11.417 0.50 29.62 C ATOM 557 CG GLU A 35 61.707 26.484 11.287 0.50 29.33 C ATOM 558 CD GLU A 35 61.681 27.209 12.621 0.50 28.70 C ATOM 559 OE1 GLU A 35 60.593 27.669 13.026 0.50 28.73 O ATOM 560 OE2 GLU A 35 62.750 27.316 13.260 0.50 27.25 O ATOM 0 H GLU A 35 63.805 24.767 10.903 1.00 30.07 H new ATOM 0 HA GLU A 35 62.352 24.716 13.308 0.50 29.78 H new ATOM 0 HB2 GLU A 35 61.407 24.547 10.426 0.50 29.62 H new ATOM 0 HB3 GLU A 35 60.378 24.886 11.803 0.50 29.62 H new ATOM 0 HG2 GLU A 35 62.691 26.603 10.833 0.50 29.33 H new ATOM 0 HG3 GLU A 35 60.986 26.947 10.613 0.50 29.33 H new ATOM 567 N GLY A 36 61.632 22.399 13.726 1.00 30.13 N ATOM 568 CA GLY A 36 61.214 21.038 14.004 1.00 29.64 C ATOM 569 C GLY A 36 62.368 20.157 14.441 1.00 29.87 C ATOM 570 O GLY A 36 62.262 18.930 14.404 1.00 30.05 O ATOM 0 H GLY A 36 61.689 23.003 14.546 1.00 30.13 H new ATOM 0 HA2 GLY A 36 60.452 21.047 14.783 1.00 29.64 H new ATOM 0 HA3 GLY A 36 60.753 20.613 13.112 1.00 29.64 H new ATOM 574 N TRP A 37 63.474 20.781 14.854 1.00 29.74 N ATOM 575 CA TRP A 37 64.644 20.045 15.304 1.00 29.59 C ATOM 576 C TRP A 37 65.185 20.622 16.605 1.00 29.70 C ATOM 577 O TRP A 37 65.356 21.836 16.742 1.00 30.29 O ATOM 578 CB TRP A 37 65.731 20.054 14.225 1.00 29.29 C ATOM 579 CG TRP A 37 65.340 19.296 12.993 1.00 29.26 C ATOM 580 CD1 TRP A 37 64.895 19.821 11.815 1.00 28.67 C ATOM 581 CD2 TRP A 37 65.342 17.874 12.825 1.00 29.10 C ATOM 582 NE1 TRP A 37 64.627 18.814 10.921 1.00 29.99 N ATOM 583 CE2 TRP A 37 64.894 17.609 11.518 1.00 29.48 C ATOM 584 CE3 TRP A 37 65.684 16.799 13.652 1.00 29.56 C ATOM 585 CZ2 TRP A 37 64.777 16.315 11.019 1.00 27.72 C ATOM 586 CZ3 TRP A 37 65.567 15.515 13.154 1.00 28.75 C ATOM 587 CH2 TRP A 37 65.117 15.283 11.849 1.00 26.29 C ATOM 0 H TRP A 37 63.578 21.795 14.884 1.00 29.74 H new ATOM 0 HA TRP A 37 64.343 19.014 15.489 1.00 29.59 H new ATOM 0 HB2 TRP A 37 65.957 21.085 13.954 1.00 29.29 H new ATOM 0 HB3 TRP A 37 66.645 19.624 14.634 1.00 29.29 H new ATOM 0 HD1 TRP A 37 64.772 20.875 11.615 1.00 28.67 H new ATOM 0 HE1 TRP A 37 64.285 18.942 9.968 1.00 29.99 H new ATOM 0 HE3 TRP A 37 66.033 16.969 14.660 1.00 29.56 H new ATOM 0 HZ2 TRP A 37 64.430 16.133 10.013 1.00 27.72 H new ATOM 0 HZ3 TRP A 37 65.827 14.676 13.783 1.00 28.75 H new ATOM 0 HH2 TRP A 37 65.037 14.268 11.490 1.00 26.29 H new ATOM 598 N LEU A 38 65.450 19.732 17.554 1.00 29.48 N ATOM 599 CA LEU A 38 65.977 20.114 18.859 1.00 29.37 C ATOM 600 C LEU A 38 67.327 19.448 19.089 1.00 29.69 C ATOM 601 O LEU A 38 67.652 18.464 18.435 1.00 30.33 O ATOM 602 CB LEU A 38 64.998 19.717 19.967 1.00 28.93 C ATOM 603 CG LEU A 38 63.695 20.517 20.004 1.00 28.10 C ATOM 604 CD1 LEU A 38 62.694 19.869 20.948 1.00 26.91 C ATOM 605 CD2 LEU A 38 63.965 21.957 20.417 1.00 27.03 C ATOM 0 H LEU A 38 65.306 18.728 17.442 1.00 29.48 H new ATOM 0 HA LEU A 38 66.106 21.196 18.882 1.00 29.37 H new ATOM 0 HB2 LEU A 38 64.754 18.661 19.852 1.00 28.93 H new ATOM 0 HB3 LEU A 38 65.499 19.826 20.929 1.00 28.93 H new ATOM 0 HG LEU A 38 63.266 20.521 19.002 1.00 28.10 H new ATOM 0 HD11 LEU A 38 61.774 20.453 20.960 1.00 26.91 H new ATOM 0 HD12 LEU A 38 62.476 18.856 20.608 1.00 26.91 H new ATOM 0 HD13 LEU A 38 63.113 19.832 21.953 1.00 26.91 H new ATOM 0 HD21 LEU A 38 63.027 22.512 20.438 1.00 27.03 H new ATOM 0 HD22 LEU A 38 64.418 21.972 21.408 1.00 27.03 H new ATOM 0 HD23 LEU A 38 64.644 22.420 19.701 1.00 27.03 H new ATOM 617 N GLU A 39 68.105 19.982 20.024 1.00 29.85 N ATOM 618 CA GLU A 39 69.423 19.432 20.331 1.00 30.01 C ATOM 619 C GLU A 39 69.519 19.055 21.806 1.00 29.88 C ATOM 620 O GLU A 39 69.420 19.916 22.680 1.00 29.98 O ATOM 621 CB GLU A 39 70.517 20.445 19.973 1.00 30.17 C ATOM 622 CG GLU A 39 71.928 19.887 20.079 1.00 32.87 C ATOM 623 CD GLU A 39 72.168 18.720 19.138 1.00 37.88 C ATOM 624 OE1 GLU A 39 71.870 17.573 19.528 1.00 38.59 O ATOM 625 OE2 GLU A 39 72.650 18.956 18.010 1.00 38.28 O ATOM 0 H GLU A 39 67.847 20.795 20.583 1.00 29.85 H new ATOM 0 HA GLU A 39 69.567 18.531 19.734 1.00 30.01 H new ATOM 0 HB2 GLU A 39 70.352 20.800 18.956 1.00 30.17 H new ATOM 0 HB3 GLU A 39 70.428 21.310 20.631 1.00 30.17 H new ATOM 0 HG2 GLU A 39 72.645 20.678 19.860 1.00 32.87 H new ATOM 0 HG3 GLU A 39 72.111 19.566 21.104 1.00 32.87 H new ATOM 632 N GLY A 40 69.723 17.764 22.077 1.00 29.49 N ATOM 633 CA GLY A 40 69.813 17.305 23.451 1.00 29.65 C ATOM 634 C GLY A 40 70.585 16.011 23.604 1.00 29.85 C ATOM 635 O GLY A 40 70.826 15.299 22.627 1.00 29.46 O ATOM 0 H GLY A 40 69.827 17.034 21.372 1.00 29.49 H new ATOM 0 HA2 GLY A 40 70.290 18.078 24.054 1.00 29.65 H new ATOM 0 HA3 GLY A 40 68.807 17.168 23.847 1.00 29.65 H new ATOM 639 N GLU A 41 70.971 15.712 24.842 1.00 29.93 N ATOM 640 CA GLU A 41 71.722 14.501 25.148 1.00 29.92 C ATOM 641 C GLU A 41 70.787 13.355 25.525 1.00 29.86 C ATOM 642 O GLU A 41 70.069 13.423 26.523 1.00 30.03 O ATOM 643 CB GLU A 41 72.722 14.755 26.280 1.00 29.67 C ATOM 644 CG GLU A 41 73.821 15.749 25.926 1.00 34.14 C ATOM 645 CD GLU A 41 73.337 17.188 25.917 1.00 36.56 C ATOM 646 OE1 GLU A 41 73.173 17.765 27.013 1.00 34.81 O ATOM 647 OE2 GLU A 41 73.120 17.736 24.816 1.00 37.88 O ATOM 0 H GLU A 41 70.773 16.298 25.654 1.00 29.93 H new ATOM 0 HA GLU A 41 72.271 14.217 24.250 1.00 29.92 H new ATOM 0 HB2 GLU A 41 72.182 15.122 27.152 1.00 29.67 H new ATOM 0 HB3 GLU A 41 73.181 13.808 26.565 1.00 29.67 H new ATOM 0 HG2 GLU A 41 74.637 15.650 26.642 1.00 34.14 H new ATOM 0 HG3 GLU A 41 74.226 15.501 24.945 1.00 34.14 H new ATOM 654 N LEU A 42 70.811 12.303 24.712 1.00 29.45 N ATOM 655 CA LEU A 42 69.983 11.127 24.942 1.00 29.26 C ATOM 656 C LEU A 42 70.819 9.862 24.826 1.00 30.02 C ATOM 657 O LEU A 42 71.557 9.683 23.855 1.00 30.38 O ATOM 658 CB LEU A 42 68.818 11.076 23.948 1.00 29.05 C ATOM 659 CG LEU A 42 67.991 9.786 23.981 1.00 26.88 C ATOM 660 CD1 LEU A 42 67.312 9.613 25.332 1.00 23.36 C ATOM 661 CD2 LEU A 42 66.962 9.782 22.860 1.00 25.54 C ATOM 0 H LEU A 42 71.401 12.243 23.882 1.00 29.45 H new ATOM 0 HA LEU A 42 69.574 11.193 25.950 1.00 29.26 H new ATOM 0 HB2 LEU A 42 68.156 11.919 24.145 1.00 29.05 H new ATOM 0 HB3 LEU A 42 69.214 11.210 22.941 1.00 29.05 H new ATOM 0 HG LEU A 42 68.667 8.944 23.831 1.00 26.88 H new ATOM 0 HD11 LEU A 42 66.731 8.691 25.332 1.00 23.36 H new ATOM 0 HD12 LEU A 42 68.068 9.565 26.116 1.00 23.36 H new ATOM 0 HD13 LEU A 42 66.650 10.459 25.518 1.00 23.36 H new ATOM 0 HD21 LEU A 42 66.384 8.858 22.900 1.00 25.54 H new ATOM 0 HD22 LEU A 42 66.292 10.634 22.978 1.00 25.54 H new ATOM 0 HD23 LEU A 42 67.471 9.851 21.899 1.00 25.54 H new ATOM 673 N ASN A 43 70.697 8.990 25.824 1.00 30.44 N ATOM 674 CA ASN A 43 71.440 7.736 25.851 1.00 30.67 C ATOM 675 C ASN A 43 72.955 7.979 25.865 1.00 30.06 C ATOM 676 O ASN A 43 73.729 7.124 25.428 1.00 29.74 O ATOM 677 CB ASN A 43 71.051 6.858 24.653 1.00 31.77 C ATOM 678 CG ASN A 43 69.570 6.515 24.637 1.00 35.53 C ATOM 679 OD1 ASN A 43 68.938 6.385 25.687 1.00 36.31 O ATOM 680 ND2 ASN A 43 69.007 6.366 23.442 1.00 40.09 N ATOM 0 H ASN A 43 70.086 9.132 26.629 1.00 30.44 H new ATOM 0 HA ASN A 43 71.178 7.215 26.772 1.00 30.67 H new ATOM 0 HB2 ASN A 43 71.311 7.375 23.729 1.00 31.77 H new ATOM 0 HB3 ASN A 43 71.633 5.937 24.678 1.00 31.77 H new ATOM 0 HD21 ASN A 43 68.016 6.135 23.370 1.00 40.09 H new ATOM 0 HD22 ASN A 43 69.566 6.482 22.597 1.00 40.09 H new ATOM 687 N GLY A 44 73.373 9.143 26.379 1.00 30.57 N ATOM 688 CA GLY A 44 74.791 9.457 26.450 1.00 30.96 C ATOM 689 C GLY A 44 75.355 10.045 25.174 1.00 31.10 C ATOM 690 O GLY A 44 76.574 10.091 25.000 1.00 31.29 O ATOM 0 H GLY A 44 72.755 9.867 26.744 1.00 30.57 H new ATOM 0 HA2 GLY A 44 74.957 10.160 27.266 1.00 30.96 H new ATOM 0 HA3 GLY A 44 75.342 8.549 26.694 1.00 30.96 H new ATOM 694 N ARG A 45 74.480 10.492 24.282 1.00 31.28 N ATOM 695 CA ARG A 45 74.912 11.082 23.027 1.00 31.67 C ATOM 696 C ARG A 45 74.062 12.299 22.692 1.00 31.03 C ATOM 697 O ARG A 45 72.865 12.329 22.977 1.00 30.83 O ATOM 698 CB ARG A 45 74.841 10.047 21.900 1.00 32.25 C ATOM 699 CG ARG A 45 75.698 10.398 20.691 1.00 34.74 C ATOM 700 CD ARG A 45 74.879 11.055 19.591 1.00 39.98 C ATOM 701 NE ARG A 45 73.978 10.108 18.935 1.00 41.27 N ATOM 702 CZ ARG A 45 73.081 10.448 18.008 1.00 43.21 C ATOM 703 NH1 ARG A 45 72.947 11.716 17.631 1.00 42.18 N ATOM 704 NH2 ARG A 45 72.315 9.515 17.456 1.00 44.74 N ATOM 0 H ARG A 45 73.468 10.456 24.407 1.00 31.28 H new ATOM 0 HA ARG A 45 75.947 11.406 23.132 1.00 31.67 H new ATOM 0 HB2 ARG A 45 75.156 9.078 22.288 1.00 32.25 H new ATOM 0 HB3 ARG A 45 73.804 9.941 21.581 1.00 32.25 H new ATOM 0 HG2 ARG A 45 76.501 11.069 20.997 1.00 34.74 H new ATOM 0 HG3 ARG A 45 76.168 9.494 20.304 1.00 34.74 H new ATOM 0 HD2 ARG A 45 74.298 11.875 20.013 1.00 39.98 H new ATOM 0 HD3 ARG A 45 75.550 11.489 18.850 1.00 39.98 H new ATOM 0 HE ARG A 45 74.039 9.126 19.203 1.00 41.27 H new ATOM 0 HH11 ARG A 45 73.533 12.438 18.051 1.00 42.18 H new ATOM 0 HH12 ARG A 45 72.259 11.967 16.921 1.00 42.18 H new ATOM 0 HH21 ARG A 45 72.413 8.540 17.741 1.00 44.74 H new ATOM 0 HH22 ARG A 45 71.628 9.773 16.747 1.00 44.74 H new ATOM 718 N ARG A 46 74.683 13.296 22.073 1.00 30.68 N ATOM 719 CA ARG A 46 73.980 14.518 21.708 1.00 30.55 C ATOM 720 C ARG A 46 73.509 14.423 20.262 1.00 30.11 C ATOM 721 O ARG A 46 74.322 14.272 19.346 1.00 30.10 O ATOM 722 CB ARG A 46 74.886 15.739 21.897 1.00 30.46 C ATOM 723 CG ARG A 46 74.170 17.065 21.693 1.00 32.25 C ATOM 724 CD ARG A 46 75.116 18.242 21.865 0.01 32.39 C ATOM 725 NE ARG A 46 76.118 18.304 20.800 0.01 32.82 N ATOM 726 CZ ARG A 46 77.227 19.045 20.855 0.01 33.01 C ATOM 727 NH1 ARG A 46 77.489 19.793 21.925 0.01 33.12 N ATOM 728 NH2 ARG A 46 78.079 19.038 19.836 0.01 33.06 N ATOM 0 H ARG A 46 75.670 13.282 21.814 1.00 30.68 H new ATOM 0 HA ARG A 46 73.114 14.636 22.359 1.00 30.55 H new ATOM 0 HB2 ARG A 46 75.310 15.715 22.901 1.00 30.46 H new ATOM 0 HB3 ARG A 46 75.720 15.674 21.198 1.00 30.46 H new ATOM 0 HG2 ARG A 46 73.731 17.093 20.696 1.00 32.25 H new ATOM 0 HG3 ARG A 46 73.349 17.150 22.405 1.00 32.25 H new ATOM 0 HD2 ARG A 46 74.542 19.169 21.877 0.01 32.39 H new ATOM 0 HD3 ARG A 46 75.617 18.165 22.830 0.01 32.39 H new ATOM 0 HE ARG A 46 75.959 17.745 19.962 0.01 32.82 H new ATOM 0 HH11 ARG A 46 76.840 19.803 22.712 0.01 33.12 H new ATOM 0 HH12 ARG A 46 78.339 20.356 21.958 0.01 33.12 H new ATOM 0 HH21 ARG A 46 77.885 18.467 19.013 0.01 33.06 H new ATOM 0 HH22 ARG A 46 78.927 19.604 19.876 0.01 33.06 H new ATOM 742 N GLY A 47 72.198 14.513 20.060 1.00 29.77 N ATOM 743 CA GLY A 47 71.656 14.409 18.720 1.00 29.07 C ATOM 744 C GLY A 47 70.389 15.208 18.514 1.00 29.23 C ATOM 745 O GLY A 47 69.666 15.502 19.467 1.00 29.34 O ATOM 0 H GLY A 47 71.506 14.655 20.796 1.00 29.77 H new ATOM 0 HA2 GLY A 47 72.408 14.746 18.006 1.00 29.07 H new ATOM 0 HA3 GLY A 47 71.454 13.361 18.499 1.00 29.07 H new ATOM 749 N MET A 48 70.132 15.569 17.261 1.00 29.43 N ATOM 750 CA MET A 48 68.945 16.336 16.913 1.00 29.55 C ATOM 751 C MET A 48 67.724 15.428 16.800 1.00 29.74 C ATOM 752 O MET A 48 67.809 14.314 16.283 1.00 29.84 O ATOM 753 CB MET A 48 69.157 17.106 15.604 1.00 29.04 C ATOM 754 CG MET A 48 69.234 16.221 14.367 1.00 30.75 C ATOM 755 SD MET A 48 69.318 17.172 12.838 1.00 35.17 S ATOM 756 CE MET A 48 69.287 15.860 11.619 1.00 30.25 C ATOM 0 H MET A 48 70.733 15.341 16.469 1.00 29.43 H new ATOM 0 HA MET A 48 68.767 17.055 17.712 1.00 29.55 H new ATOM 0 HB2 MET A 48 68.341 17.818 15.478 1.00 29.04 H new ATOM 0 HB3 MET A 48 70.077 17.685 15.681 1.00 29.04 H new ATOM 0 HG2 MET A 48 70.111 15.578 14.439 1.00 30.75 H new ATOM 0 HG3 MET A 48 68.362 15.568 14.337 1.00 30.75 H new ATOM 0 HE1 MET A 48 69.333 16.291 10.619 1.00 30.25 H new ATOM 0 HE2 MET A 48 70.143 15.202 11.770 1.00 30.25 H new ATOM 0 HE3 MET A 48 68.366 15.287 11.725 1.00 30.25 H new ATOM 766 N PHE A 49 66.589 15.918 17.285 1.00 29.54 N ATOM 767 CA PHE A 49 65.344 15.155 17.247 1.00 29.48 C ATOM 768 C PHE A 49 64.153 16.061 16.939 1.00 29.94 C ATOM 769 O PHE A 49 64.243 17.282 17.074 1.00 30.17 O ATOM 770 CB PHE A 49 65.125 14.430 18.582 1.00 28.94 C ATOM 771 CG PHE A 49 65.495 15.260 19.777 1.00 27.57 C ATOM 772 CD1 PHE A 49 66.795 15.262 20.248 1.00 25.70 C ATOM 773 CD2 PHE A 49 64.551 16.045 20.419 1.00 27.12 C ATOM 774 CE1 PHE A 49 67.149 16.029 21.338 1.00 25.62 C ATOM 775 CE2 PHE A 49 64.902 16.815 21.511 1.00 27.89 C ATOM 776 CZ PHE A 49 66.202 16.807 21.969 1.00 26.82 C ATOM 0 H PHE A 49 66.504 16.841 17.710 1.00 29.54 H new ATOM 0 HA PHE A 49 65.424 14.416 16.450 1.00 29.48 H new ATOM 0 HB2 PHE A 49 64.078 14.138 18.661 1.00 28.94 H new ATOM 0 HB3 PHE A 49 65.713 13.512 18.590 1.00 28.94 H new ATOM 0 HD1 PHE A 49 67.542 14.656 19.757 1.00 25.70 H new ATOM 0 HD2 PHE A 49 63.532 16.055 20.063 1.00 27.12 H new ATOM 0 HE1 PHE A 49 68.168 16.020 21.697 1.00 25.62 H new ATOM 0 HE2 PHE A 49 64.158 17.423 22.005 1.00 27.89 H new ATOM 0 HZ PHE A 49 66.478 17.410 22.821 1.00 26.82 H new ATOM 786 N PRO A 50 63.017 15.471 16.523 1.00 30.08 N ATOM 787 CA PRO A 50 61.805 16.228 16.188 1.00 29.95 C ATOM 788 C PRO A 50 61.230 16.994 17.382 1.00 29.91 C ATOM 789 O PRO A 50 61.274 16.519 18.519 1.00 30.19 O ATOM 790 CB PRO A 50 60.816 15.154 15.722 1.00 29.61 C ATOM 791 CG PRO A 50 61.650 13.961 15.407 1.00 29.35 C ATOM 792 CD PRO A 50 62.827 14.025 16.335 1.00 30.28 C ATOM 0 HA PRO A 50 62.013 16.991 15.438 1.00 29.95 H new ATOM 0 HB2 PRO A 50 60.085 14.929 16.499 1.00 29.61 H new ATOM 0 HB3 PRO A 50 60.258 15.486 14.846 1.00 29.61 H new ATOM 0 HG2 PRO A 50 61.086 13.040 15.555 1.00 29.35 H new ATOM 0 HG3 PRO A 50 61.972 13.974 14.366 1.00 29.35 H new ATOM 0 HD2 PRO A 50 62.626 13.518 17.279 1.00 30.28 H new ATOM 0 HD3 PRO A 50 63.709 13.554 15.902 1.00 30.28 H new ATOM 800 N ASP A 51 60.691 18.180 17.103 1.00 30.10 N ATOM 801 CA ASP A 51 60.098 19.031 18.137 1.00 30.42 C ATOM 802 C ASP A 51 58.758 18.476 18.633 1.00 30.47 C ATOM 803 O ASP A 51 58.466 18.530 19.829 1.00 31.18 O ATOM 804 CB ASP A 51 59.901 20.456 17.609 1.00 29.76 C ATOM 805 CG ASP A 51 61.026 21.390 18.013 1.00 30.04 C ATOM 806 OD1 ASP A 51 62.019 21.485 17.262 1.00 32.21 O ATOM 807 OD2 ASP A 51 60.912 22.029 19.080 1.00 29.54 O ATOM 0 H ASP A 51 60.652 18.576 16.164 1.00 30.10 H new ATOM 0 HA ASP A 51 60.790 19.046 18.979 1.00 30.42 H new ATOM 0 HB2 ASP A 51 59.829 20.430 16.522 1.00 29.76 H new ATOM 0 HB3 ASP A 51 58.955 20.850 17.982 1.00 29.76 H new ATOM 812 N ASN A 52 57.949 17.944 17.712 1.00 30.26 N ATOM 813 CA ASN A 52 56.632 17.398 18.059 1.00 30.67 C ATOM 814 C ASN A 52 56.705 15.985 18.657 1.00 30.83 C ATOM 815 O ASN A 52 55.671 15.403 18.991 1.00 31.21 O ATOM 816 CB ASN A 52 55.723 17.389 16.826 1.00 30.81 C ATOM 817 CG ASN A 52 55.456 18.782 16.281 1.00 32.54 C ATOM 818 OD1 ASN A 52 55.421 19.760 17.030 1.00 34.54 O ATOM 819 ND2 ASN A 52 55.268 18.880 14.969 1.00 33.43 N ATOM 0 H ASN A 52 58.182 17.879 16.721 1.00 30.26 H new ATOM 0 HA ASN A 52 56.218 18.050 18.827 1.00 30.67 H new ATOM 0 HB2 ASN A 52 56.182 16.781 16.047 1.00 30.81 H new ATOM 0 HB3 ASN A 52 54.775 16.916 17.083 1.00 30.81 H new ATOM 0 HD21 ASN A 52 55.086 19.790 14.546 1.00 33.43 H new ATOM 0 HD22 ASN A 52 55.305 18.045 14.385 1.00 33.43 H new ATOM 826 N PHE A 53 57.912 15.436 18.796 1.00 30.61 N ATOM 827 CA PHE A 53 58.083 14.096 19.357 1.00 30.73 C ATOM 828 C PHE A 53 58.450 14.174 20.833 1.00 30.75 C ATOM 829 O PHE A 53 58.099 13.287 21.612 1.00 30.72 O ATOM 830 CB PHE A 53 59.150 13.319 18.580 1.00 30.73 C ATOM 831 CG PHE A 53 58.650 12.756 17.276 1.00 31.62 C ATOM 832 CD1 PHE A 53 58.159 13.590 16.284 1.00 33.29 C ATOM 833 CD2 PHE A 53 58.673 11.390 17.045 1.00 30.86 C ATOM 834 CE1 PHE A 53 57.701 13.073 15.088 1.00 34.04 C ATOM 835 CE2 PHE A 53 58.216 10.867 15.850 1.00 31.53 C ATOM 836 CZ PHE A 53 57.730 11.709 14.871 1.00 31.02 C ATOM 0 H PHE A 53 58.782 15.896 18.529 1.00 30.61 H new ATOM 0 HA PHE A 53 57.135 13.565 19.267 1.00 30.73 H new ATOM 0 HB2 PHE A 53 59.996 13.977 18.382 1.00 30.73 H new ATOM 0 HB3 PHE A 53 59.519 12.503 19.201 1.00 30.73 H new ATOM 0 HD1 PHE A 53 58.134 14.657 16.448 1.00 33.29 H new ATOM 0 HD2 PHE A 53 59.052 10.726 17.808 1.00 30.86 H new ATOM 0 HE1 PHE A 53 57.321 13.734 14.323 1.00 34.04 H new ATOM 0 HE2 PHE A 53 58.239 9.800 15.683 1.00 31.53 H new ATOM 0 HZ PHE A 53 57.373 11.302 13.936 1.00 31.02 H new ATOM 846 N VAL A 54 59.158 15.237 21.212 1.00 30.38 N ATOM 847 CA VAL A 54 59.554 15.443 22.598 1.00 29.81 C ATOM 848 C VAL A 54 58.786 16.615 23.206 1.00 29.88 C ATOM 849 O VAL A 54 58.642 17.667 22.580 1.00 30.21 O ATOM 850 CB VAL A 54 61.072 15.700 22.735 1.00 30.12 C ATOM 851 CG1 VAL A 54 61.862 14.458 22.348 1.00 31.54 C ATOM 852 CG2 VAL A 54 61.501 16.894 21.894 1.00 29.97 C ATOM 0 H VAL A 54 59.468 15.969 20.574 1.00 30.38 H new ATOM 0 HA VAL A 54 59.314 14.526 23.136 1.00 29.81 H new ATOM 0 HB VAL A 54 61.283 15.931 23.779 1.00 30.12 H new ATOM 0 HG11 VAL A 54 62.928 14.658 22.451 1.00 31.54 H new ATOM 0 HG12 VAL A 54 61.583 13.631 23.002 1.00 31.54 H new ATOM 0 HG13 VAL A 54 61.641 14.194 21.314 1.00 31.54 H new ATOM 0 HG21 VAL A 54 62.573 17.053 22.008 1.00 29.97 H new ATOM 0 HG22 VAL A 54 61.272 16.702 20.846 1.00 29.97 H new ATOM 0 HG23 VAL A 54 60.965 17.784 22.225 1.00 29.97 H new ATOM 862 N LYS A 55 58.291 16.421 24.424 1.00 29.74 N ATOM 863 CA LYS A 55 57.534 17.457 25.119 1.00 29.89 C ATOM 864 C LYS A 55 58.364 18.058 26.248 1.00 30.09 C ATOM 865 O LYS A 55 58.895 17.333 27.089 1.00 30.59 O ATOM 866 CB LYS A 55 56.229 16.877 25.672 1.00 29.70 C ATOM 867 CG LYS A 55 55.372 17.889 26.418 1.00 27.87 C ATOM 868 CD LYS A 55 54.072 17.270 26.908 1.00 28.45 C ATOM 869 CE LYS A 55 54.322 16.184 27.945 1.00 29.83 C ATOM 870 NZ LYS A 55 53.054 15.549 28.406 1.00 29.81 N ATOM 0 H LYS A 55 58.401 15.555 24.951 1.00 29.74 H new ATOM 0 HA LYS A 55 57.294 18.247 24.408 1.00 29.89 H new ATOM 0 HB2 LYS A 55 55.649 16.462 24.848 1.00 29.70 H new ATOM 0 HB3 LYS A 55 56.465 16.051 26.343 1.00 29.70 H new ATOM 0 HG2 LYS A 55 55.930 18.284 27.267 1.00 27.87 H new ATOM 0 HG3 LYS A 55 55.150 18.732 25.763 1.00 27.87 H new ATOM 0 HD2 LYS A 55 53.439 18.046 27.339 1.00 28.45 H new ATOM 0 HD3 LYS A 55 53.528 16.848 26.063 1.00 28.45 H new ATOM 0 HE2 LYS A 55 54.976 15.422 27.521 1.00 29.83 H new ATOM 0 HE3 LYS A 55 54.845 16.613 28.800 1.00 29.83 H new ATOM 0 HZ1 LYS A 55 53.269 14.816 29.111 1.00 29.81 H new ATOM 0 HZ2 LYS A 55 52.440 16.271 28.834 1.00 29.81 H new ATOM 0 HZ3 LYS A 55 52.567 15.117 27.595 1.00 29.81 H new ATOM 884 N GLU A 56 58.475 19.386 26.261 1.00 29.95 N ATOM 885 CA GLU A 56 59.245 20.077 27.290 1.00 29.73 C ATOM 886 C GLU A 56 58.715 19.736 28.679 1.00 29.58 C ATOM 887 O GLU A 56 57.503 19.714 28.902 1.00 30.02 O ATOM 888 CB GLU A 56 59.201 21.592 27.070 1.00 29.71 C ATOM 889 CG GLU A 56 60.157 22.365 27.967 1.00 28.77 C ATOM 890 CD GLU A 56 60.138 23.857 27.692 1.00 31.39 C ATOM 891 OE1 GLU A 56 59.325 24.565 28.322 1.00 31.09 O ATOM 892 OE2 GLU A 56 60.935 24.314 26.847 1.00 32.19 O ATOM 0 H GLU A 56 58.042 20.002 25.572 1.00 29.95 H new ATOM 0 HA GLU A 56 60.280 19.743 27.219 1.00 29.73 H new ATOM 0 HB2 GLU A 56 59.439 21.807 26.028 1.00 29.71 H new ATOM 0 HB3 GLU A 56 58.185 21.947 27.244 1.00 29.71 H new ATOM 0 HG2 GLU A 56 59.894 22.188 29.010 1.00 28.77 H new ATOM 0 HG3 GLU A 56 61.169 21.986 27.825 1.00 28.77 H new ATOM 899 N ILE A 57 59.629 19.475 29.609 1.00 29.23 N ATOM 900 CA ILE A 57 59.253 19.131 30.975 1.00 29.24 C ATOM 901 C ILE A 57 59.238 20.378 31.859 1.00 29.93 C ATOM 902 O ILE A 57 60.226 20.696 32.525 1.00 30.54 O ATOM 903 CB ILE A 57 60.207 18.074 31.581 1.00 28.57 C ATOM 904 CG1 ILE A 57 60.312 16.854 30.657 1.00 28.31 C ATOM 905 CG2 ILE A 57 59.727 17.654 32.966 1.00 25.77 C ATOM 906 CD1 ILE A 57 61.306 15.816 31.131 1.00 28.60 C ATOM 0 H ILE A 57 60.635 19.495 29.441 1.00 29.23 H new ATOM 0 HA ILE A 57 58.251 18.704 30.937 1.00 29.24 H new ATOM 0 HB ILE A 57 61.197 18.519 31.679 1.00 28.57 H new ATOM 0 HG12 ILE A 57 59.330 16.390 30.569 1.00 28.31 H new ATOM 0 HG13 ILE A 57 60.597 17.188 29.659 1.00 28.31 H new ATOM 0 HG21 ILE A 57 60.409 16.910 33.378 1.00 25.77 H new ATOM 0 HG22 ILE A 57 59.701 18.525 33.621 1.00 25.77 H new ATOM 0 HG23 ILE A 57 58.727 17.227 32.890 1.00 25.77 H new ATOM 0 HD11 ILE A 57 61.326 14.983 30.428 1.00 28.60 H new ATOM 0 HD12 ILE A 57 62.298 16.263 31.192 1.00 28.60 H new ATOM 0 HD13 ILE A 57 61.011 15.453 32.115 1.00 28.60 H new ATOM 918 N LYS A 58 58.114 21.093 31.840 1.00 30.45 N ATOM 919 CA LYS A 58 57.960 22.309 32.635 1.00 30.98 C ATOM 920 C LYS A 58 57.598 21.972 34.083 1.00 30.73 C ATOM 921 O LYS A 58 58.476 22.119 34.959 1.00 30.38 O ATOM 922 CB LYS A 58 56.895 23.222 32.015 1.00 31.05 C ATOM 923 CG LYS A 58 56.731 24.551 32.736 1.00 32.79 C ATOM 924 CD LYS A 58 55.666 25.417 32.081 1.00 35.98 C ATOM 925 CE LYS A 58 54.282 24.793 32.198 1.00 37.92 C ATOM 926 NZ LYS A 58 53.230 25.645 31.578 1.00 40.63 N ATOM 927 OXT LYS A 58 56.444 21.557 34.329 1.00 30.38 O ATOM 0 H LYS A 58 57.296 20.850 31.282 1.00 30.45 H new ATOM 0 HA LYS A 58 58.914 22.837 32.637 1.00 30.98 H new ATOM 0 HB2 LYS A 58 57.155 23.414 30.974 1.00 31.05 H new ATOM 0 HB3 LYS A 58 55.938 22.700 32.013 1.00 31.05 H new ATOM 0 HG2 LYS A 58 56.464 24.370 33.777 1.00 32.79 H new ATOM 0 HG3 LYS A 58 57.682 25.083 32.739 1.00 32.79 H new ATOM 0 HD2 LYS A 58 55.661 26.403 32.547 1.00 35.98 H new ATOM 0 HD3 LYS A 58 55.912 25.563 31.029 1.00 35.98 H new ATOM 0 HE2 LYS A 58 54.284 23.814 31.719 1.00 37.92 H new ATOM 0 HE3 LYS A 58 54.045 24.632 33.250 1.00 37.92 H new ATOM 0 HZ1 LYS A 58 52.304 25.183 31.680 1.00 40.63 H new ATOM 0 HZ2 LYS A 58 53.209 26.571 32.052 1.00 40.63 H new ATOM 0 HZ3 LYS A 58 53.441 25.778 30.568 1.00 40.63 H new TER 941 LYS A 58