USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 60 MET CE :methyl -117:sc= -1.13 (180deg=-6.1!) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.957 USER MOD Set 2.2: A 71 THR OG1 : rot -71:sc= 1.09 USER MOD Set 3.1: A 50 GLN : amide:sc= -0.445 K(o=-5.7,f=-7.4) USER MOD Set 3.2: A 81 MET CE :methyl -125:sc= -5.22! (180deg=-8.69!) USER MOD Set 4.1: A 37 SER OG : rot 95:sc= 0.285 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -171:sc= 0.84 (180deg=0) USER MOD Set 5.1: A 13 THR OG1 : rot -125:sc= -0.897 USER MOD Set 5.2: A 16 GLN : amide:sc= -0.966 K(o=-1.9,f=-5.3!) USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.951 K(o=-0.95,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -4.32! USER MOD Single : A 38 THR OG1 : rot -90:sc= 0.639 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -120:sc= -0.0133 (180deg=-0.38) USER MOD Single : A 51 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 58 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.11) USER MOD Single : A 80 MET CE :methyl -100:sc= -3.78! (180deg=-6.19!) USER MOD Single : A 85 MET CE :methyl -149:sc= -0.164 (180deg=-1.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.910 6.807 -5.890 1.00 3.22 N ATOM 2 CA MET A 1 81.885 5.832 -5.320 1.00 2.61 C ATOM 3 C MET A 1 81.899 5.928 -3.793 1.00 2.16 C ATOM 4 O MET A 1 82.087 6.989 -3.230 1.00 2.75 O ATOM 5 CB MET A 1 83.240 6.245 -5.895 1.00 3.09 C ATOM 6 CG MET A 1 84.214 5.069 -5.805 1.00 3.96 C ATOM 7 SD MET A 1 85.487 5.241 -7.081 1.00 4.65 S ATOM 8 CE MET A 1 86.064 3.525 -7.057 1.00 5.42 C ATOM 0 H1 MET A 1 80.910 6.732 -6.927 1.00 3.22 H new ATOM 0 H2 MET A 1 79.958 6.598 -5.528 1.00 3.22 H new ATOM 0 H3 MET A 1 81.182 7.772 -5.613 1.00 3.22 H new ATOM 0 HA MET A 1 81.632 4.802 -5.571 1.00 2.61 H new ATOM 0 HB2 MET A 1 83.126 6.558 -6.933 1.00 3.09 H new ATOM 0 HB3 MET A 1 83.634 7.100 -5.346 1.00 3.09 H new ATOM 0 HG2 MET A 1 84.675 5.040 -4.818 1.00 3.96 H new ATOM 0 HG3 MET A 1 83.678 4.129 -5.935 1.00 3.96 H new ATOM 0 HE1 MET A 1 86.867 3.401 -7.784 1.00 5.42 H new ATOM 0 HE2 MET A 1 86.434 3.280 -6.062 1.00 5.42 H new ATOM 0 HE3 MET A 1 85.239 2.860 -7.311 1.00 5.42 H new ATOM 20 N ASP A 2 81.700 4.830 -3.118 1.00 1.80 N ATOM 21 CA ASP A 2 81.701 4.861 -1.627 1.00 1.98 C ATOM 22 C ASP A 2 83.037 4.341 -1.089 1.00 1.58 C ATOM 23 O ASP A 2 83.948 4.049 -1.838 1.00 2.28 O ATOM 24 CB ASP A 2 80.558 3.935 -1.210 1.00 2.93 C ATOM 25 CG ASP A 2 79.238 4.709 -1.237 1.00 3.62 C ATOM 26 OD1 ASP A 2 78.681 4.853 -2.313 1.00 4.19 O ATOM 27 OD2 ASP A 2 78.808 5.144 -0.183 1.00 4.06 O ATOM 0 H ASP A 2 81.537 3.913 -3.533 1.00 1.80 H new ATOM 0 HA ASP A 2 81.571 5.870 -1.235 1.00 1.98 H new ATOM 0 HB2 ASP A 2 80.504 3.080 -1.884 1.00 2.93 H new ATOM 0 HB3 ASP A 2 80.741 3.542 -0.210 1.00 2.93 H new ATOM 32 N ASP A 3 83.161 4.222 0.204 1.00 1.09 N ATOM 33 CA ASP A 3 84.436 3.721 0.790 1.00 1.04 C ATOM 34 C ASP A 3 84.156 2.569 1.759 1.00 0.99 C ATOM 35 O ASP A 3 84.304 1.412 1.422 1.00 1.06 O ATOM 36 CB ASP A 3 85.027 4.918 1.535 1.00 1.37 C ATOM 37 CG ASP A 3 85.949 5.699 0.599 1.00 1.89 C ATOM 38 OD1 ASP A 3 86.018 5.342 -0.567 1.00 2.31 O ATOM 39 OD2 ASP A 3 86.571 6.641 1.061 1.00 2.45 O ATOM 0 H ASP A 3 82.433 4.450 0.881 1.00 1.09 H new ATOM 0 HA ASP A 3 85.117 3.338 0.030 1.00 1.04 H new ATOM 0 HB2 ASP A 3 84.228 5.564 1.898 1.00 1.37 H new ATOM 0 HB3 ASP A 3 85.583 4.577 2.409 1.00 1.37 H new ATOM 44 N ILE A 4 83.752 2.880 2.959 1.00 0.90 N ATOM 45 CA ILE A 4 83.461 1.805 3.950 1.00 0.89 C ATOM 46 C ILE A 4 82.157 1.091 3.585 1.00 0.82 C ATOM 47 O ILE A 4 81.935 -0.044 3.959 1.00 0.85 O ATOM 48 CB ILE A 4 83.327 2.529 5.289 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.994 3.280 5.337 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.476 3.526 5.445 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.022 2.540 6.256 1.00 1.74 C ATOM 0 H ILE A 4 83.611 3.832 3.297 1.00 0.90 H new ATOM 0 HA ILE A 4 84.240 1.043 3.978 1.00 0.89 H new ATOM 0 HB ILE A 4 83.362 1.800 6.099 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.150 4.296 5.699 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.573 3.360 4.335 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.382 4.043 6.400 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.427 2.994 5.413 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.440 4.253 4.633 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.073 3.076 6.289 1.00 1.74 H new ATOM 0 HD12 ILE A 4 80.856 1.532 5.875 1.00 1.74 H new ATOM 0 HD13 ILE A 4 81.442 2.484 7.260 1.00 1.74 H new ATOM 63 N TYR A 5 81.294 1.745 2.856 1.00 0.78 N ATOM 64 CA TYR A 5 80.008 1.100 2.468 1.00 0.78 C ATOM 65 C TYR A 5 80.259 0.022 1.410 1.00 0.92 C ATOM 66 O TYR A 5 79.523 -0.937 1.299 1.00 0.99 O ATOM 67 CB TYR A 5 79.152 2.228 1.890 1.00 0.78 C ATOM 68 CG TYR A 5 78.861 3.243 2.970 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.880 2.978 3.933 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.571 4.449 3.007 1.00 1.31 C ATOM 71 CE1 TYR A 5 77.609 3.918 4.934 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.300 5.389 4.008 1.00 1.36 C ATOM 73 CZ TYR A 5 78.319 5.125 4.972 1.00 1.35 C ATOM 74 OH TYR A 5 78.053 6.051 5.958 1.00 1.60 O ATOM 0 H TYR A 5 81.424 2.697 2.513 1.00 0.78 H new ATOM 0 HA TYR A 5 79.520 0.613 3.312 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.672 2.704 1.059 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.220 1.825 1.494 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.332 2.048 3.903 1.00 1.77 H new ATOM 0 HD2 TYR A 5 80.327 4.654 2.264 1.00 1.31 H new ATOM 0 HE1 TYR A 5 76.853 3.713 5.677 1.00 2.00 H new ATOM 0 HE2 TYR A 5 79.848 6.319 4.037 1.00 1.36 H new ATOM 0 HH TYR A 5 78.634 6.831 5.840 1.00 1.60 H new ATOM 84 N LYS A 6 81.297 0.172 0.633 1.00 1.02 N ATOM 85 CA LYS A 6 81.597 -0.844 -0.416 1.00 1.19 C ATOM 86 C LYS A 6 81.501 -2.253 0.176 1.00 1.15 C ATOM 87 O LYS A 6 80.980 -3.162 -0.441 1.00 1.19 O ATOM 88 CB LYS A 6 83.029 -0.545 -0.862 1.00 1.38 C ATOM 89 CG LYS A 6 83.158 -0.800 -2.365 1.00 1.86 C ATOM 90 CD LYS A 6 84.438 -0.143 -2.887 1.00 1.94 C ATOM 91 CE LYS A 6 84.456 -0.204 -4.416 1.00 2.16 C ATOM 92 NZ LYS A 6 85.757 0.407 -4.811 1.00 2.91 N ATOM 0 H LYS A 6 81.950 0.954 0.679 1.00 1.02 H new ATOM 0 HA LYS A 6 80.896 -0.799 -1.249 1.00 1.19 H new ATOM 0 HB2 LYS A 6 83.284 0.490 -0.635 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.731 -1.174 -0.314 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.180 -1.872 -2.562 1.00 1.86 H new ATOM 0 HG3 LYS A 6 82.291 -0.398 -2.889 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.490 0.893 -2.553 1.00 1.94 H new ATOM 0 HD3 LYS A 6 85.312 -0.652 -2.482 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.379 -1.232 -4.771 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.616 0.345 -4.843 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 85.843 0.401 -5.847 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 85.799 1.387 -4.466 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 86.538 -0.140 -4.396 1.00 2.91 H new ATOM 106 N ALA A 7 81.996 -2.440 1.368 1.00 1.13 N ATOM 107 CA ALA A 7 81.930 -3.789 2.000 1.00 1.14 C ATOM 108 C ALA A 7 80.470 -4.199 2.209 1.00 1.06 C ATOM 109 O ALA A 7 80.163 -5.355 2.420 1.00 1.10 O ATOM 110 CB ALA A 7 82.641 -3.633 3.344 1.00 1.20 C ATOM 0 H ALA A 7 82.443 -1.718 1.932 1.00 1.13 H new ATOM 0 HA ALA A 7 82.393 -4.559 1.383 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.635 -4.587 3.872 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.671 -3.318 3.176 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.125 -2.883 3.944 1.00 1.20 H new ATOM 116 N ALA A 8 79.567 -3.258 2.150 1.00 0.99 N ATOM 117 CA ALA A 8 78.126 -3.593 2.345 1.00 0.95 C ATOM 118 C ALA A 8 77.664 -4.583 1.272 1.00 0.95 C ATOM 119 O ALA A 8 77.026 -5.574 1.564 1.00 1.02 O ATOM 120 CB ALA A 8 77.388 -2.261 2.201 1.00 0.91 C ATOM 0 H ALA A 8 79.764 -2.273 1.975 1.00 0.99 H new ATOM 0 HA ALA A 8 77.937 -4.061 3.311 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.318 -2.422 2.332 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.745 -1.563 2.959 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.574 -1.847 1.210 1.00 0.91 H new ATOM 126 N VAL A 9 77.982 -4.322 0.034 1.00 0.97 N ATOM 127 CA VAL A 9 77.560 -5.250 -1.054 1.00 1.07 C ATOM 128 C VAL A 9 78.430 -6.509 -1.039 1.00 1.16 C ATOM 129 O VAL A 9 77.986 -7.586 -1.386 1.00 1.18 O ATOM 130 CB VAL A 9 77.771 -4.468 -2.350 1.00 1.21 C ATOM 131 CG1 VAL A 9 77.087 -5.200 -3.506 1.00 1.89 C ATOM 132 CG2 VAL A 9 77.167 -3.070 -2.204 1.00 1.49 C ATOM 0 H VAL A 9 78.515 -3.508 -0.271 1.00 0.97 H new ATOM 0 HA VAL A 9 76.526 -5.575 -0.941 1.00 1.07 H new ATOM 0 HB VAL A 9 78.838 -4.385 -2.554 1.00 1.21 H new ATOM 0 HG11 VAL A 9 77.238 -4.642 -4.430 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.516 -6.197 -3.610 1.00 1.89 H new ATOM 0 HG13 VAL A 9 76.019 -5.284 -3.303 1.00 1.89 H new ATOM 0 HG21 VAL A 9 77.317 -2.511 -3.128 1.00 1.49 H new ATOM 0 HG22 VAL A 9 76.100 -3.154 -2.000 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.654 -2.547 -1.381 1.00 1.49 H new ATOM 142 N GLU A 10 79.666 -6.382 -0.640 1.00 1.28 N ATOM 143 CA GLU A 10 80.563 -7.572 -0.603 1.00 1.44 C ATOM 144 C GLU A 10 79.925 -8.688 0.228 1.00 1.41 C ATOM 145 O GLU A 10 79.929 -9.841 -0.154 1.00 1.54 O ATOM 146 CB GLU A 10 81.849 -7.078 0.060 1.00 1.68 C ATOM 147 CG GLU A 10 82.704 -6.340 -0.971 1.00 2.16 C ATOM 148 CD GLU A 10 84.185 -6.552 -0.652 1.00 2.64 C ATOM 149 OE1 GLU A 10 84.535 -7.656 -0.271 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.942 -5.606 -0.794 1.00 3.13 O ATOM 0 H GLU A 10 80.093 -5.506 -0.338 1.00 1.28 H new ATOM 0 HA GLU A 10 80.748 -7.981 -1.596 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.610 -6.415 0.892 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.404 -7.920 0.473 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.481 -6.706 -1.973 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.468 -5.276 -0.960 1.00 2.16 H new ATOM 157 N GLN A 11 79.372 -8.354 1.363 1.00 1.37 N ATOM 158 CA GLN A 11 78.732 -9.396 2.215 1.00 1.43 C ATOM 159 C GLN A 11 77.473 -9.934 1.530 1.00 1.24 C ATOM 160 O GLN A 11 77.019 -11.025 1.810 1.00 1.31 O ATOM 161 CB GLN A 11 78.372 -8.678 3.516 1.00 1.58 C ATOM 162 CG GLN A 11 79.621 -8.007 4.092 1.00 1.88 C ATOM 163 CD GLN A 11 79.573 -8.062 5.619 1.00 2.09 C ATOM 164 OE1 GLN A 11 78.776 -8.782 6.189 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.398 -7.327 6.312 1.00 2.48 N ATOM 0 H GLN A 11 79.336 -7.405 1.736 1.00 1.37 H new ATOM 0 HA GLN A 11 79.388 -10.249 2.391 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.599 -7.933 3.330 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.964 -9.388 4.235 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.517 -8.509 3.728 1.00 1.88 H new ATOM 0 HG3 GLN A 11 79.678 -6.971 3.757 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.067 -6.723 5.835 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.374 -7.356 7.331 1.00 2.48 H new ATOM 174 N LEU A 12 76.907 -9.173 0.632 1.00 1.24 N ATOM 175 CA LEU A 12 75.678 -9.641 -0.073 1.00 1.13 C ATOM 176 C LEU A 12 76.059 -10.475 -1.300 1.00 1.02 C ATOM 177 O LEU A 12 77.065 -10.233 -1.939 1.00 1.28 O ATOM 178 CB LEU A 12 74.954 -8.363 -0.499 1.00 1.12 C ATOM 179 CG LEU A 12 74.551 -7.566 0.743 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.846 -6.277 0.316 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.600 -8.406 1.598 1.00 1.49 C ATOM 0 H LEU A 12 77.241 -8.250 0.356 1.00 1.24 H new ATOM 0 HA LEU A 12 75.054 -10.272 0.560 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.602 -7.761 -1.136 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.070 -8.612 -1.087 1.00 1.12 H new ATOM 0 HG LEU A 12 75.441 -7.319 1.321 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.559 -5.709 1.201 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.521 -5.679 -0.296 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.955 -6.524 -0.262 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.311 -7.840 2.484 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.710 -8.651 1.018 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.100 -9.326 1.902 1.00 1.49 H new ATOM 193 N THR A 13 75.264 -11.454 -1.635 1.00 0.93 N ATOM 194 CA THR A 13 75.582 -12.300 -2.821 1.00 0.93 C ATOM 195 C THR A 13 74.449 -12.220 -3.846 1.00 0.88 C ATOM 196 O THR A 13 73.352 -11.795 -3.541 1.00 0.86 O ATOM 197 CB THR A 13 75.710 -13.721 -2.269 1.00 1.03 C ATOM 198 OG1 THR A 13 74.500 -14.086 -1.621 1.00 1.13 O ATOM 199 CG2 THR A 13 76.865 -13.780 -1.268 1.00 1.20 C ATOM 0 H THR A 13 74.409 -11.705 -1.139 1.00 0.93 H new ATOM 0 HA THR A 13 76.491 -11.977 -3.329 1.00 0.93 H new ATOM 0 HB THR A 13 75.907 -14.413 -3.088 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.693 -14.365 -0.701 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.955 -14.793 -0.876 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.793 -13.500 -1.766 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.671 -13.089 -0.448 1.00 1.20 H new ATOM 207 N GLU A 14 74.705 -12.624 -5.061 1.00 0.88 N ATOM 208 CA GLU A 14 73.639 -12.568 -6.104 1.00 0.87 C ATOM 209 C GLU A 14 72.312 -13.065 -5.528 1.00 0.82 C ATOM 210 O GLU A 14 71.319 -12.364 -5.540 1.00 0.79 O ATOM 211 CB GLU A 14 74.122 -13.496 -7.218 1.00 0.99 C ATOM 212 CG GLU A 14 73.316 -13.228 -8.491 1.00 1.98 C ATOM 213 CD GLU A 14 73.372 -11.736 -8.826 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.312 -11.088 -8.397 1.00 3.17 O ATOM 215 OE2 GLU A 14 72.473 -11.267 -9.506 1.00 2.36 O ATOM 0 H GLU A 14 75.603 -12.990 -5.377 1.00 0.88 H new ATOM 0 HA GLU A 14 73.469 -11.554 -6.466 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.183 -13.334 -7.406 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.007 -14.537 -6.914 1.00 0.99 H new ATOM 0 HG2 GLU A 14 73.718 -13.813 -9.318 1.00 1.98 H new ATOM 0 HG3 GLU A 14 72.281 -13.542 -8.352 1.00 1.98 H new ATOM 222 N GLU A 15 72.283 -14.267 -5.022 1.00 0.85 N ATOM 223 CA GLU A 15 71.016 -14.801 -4.446 1.00 0.84 C ATOM 224 C GLU A 15 70.359 -13.741 -3.559 1.00 0.76 C ATOM 225 O GLU A 15 69.164 -13.529 -3.609 1.00 0.70 O ATOM 226 CB GLU A 15 71.437 -16.013 -3.614 1.00 0.92 C ATOM 227 CG GLU A 15 70.251 -16.492 -2.774 1.00 1.49 C ATOM 228 CD GLU A 15 69.167 -17.056 -3.694 1.00 1.88 C ATOM 229 OE1 GLU A 15 69.518 -17.584 -4.737 1.00 2.62 O ATOM 230 OE2 GLU A 15 68.004 -16.953 -3.340 1.00 2.07 O ATOM 0 H GLU A 15 73.080 -14.902 -4.982 1.00 0.85 H new ATOM 0 HA GLU A 15 70.291 -15.070 -5.214 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.781 -16.815 -4.268 1.00 0.92 H new ATOM 0 HB3 GLU A 15 72.273 -15.750 -2.966 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.577 -17.256 -2.068 1.00 1.49 H new ATOM 0 HG3 GLU A 15 69.850 -15.666 -2.187 1.00 1.49 H new ATOM 237 N GLN A 16 71.132 -13.070 -2.749 1.00 0.79 N ATOM 238 CA GLN A 16 70.553 -12.022 -1.862 1.00 0.74 C ATOM 239 C GLN A 16 70.265 -10.752 -2.669 1.00 0.68 C ATOM 240 O GLN A 16 69.278 -10.079 -2.454 1.00 0.67 O ATOM 241 CB GLN A 16 71.625 -11.758 -0.805 1.00 0.79 C ATOM 242 CG GLN A 16 71.362 -12.639 0.419 1.00 0.88 C ATOM 243 CD GLN A 16 72.524 -13.616 0.605 1.00 1.70 C ATOM 244 OE1 GLN A 16 72.630 -14.594 -0.107 1.00 2.53 O ATOM 245 NE2 GLN A 16 73.406 -13.391 1.540 1.00 2.20 N ATOM 0 H GLN A 16 72.140 -13.203 -2.663 1.00 0.79 H new ATOM 0 HA GLN A 16 69.610 -12.334 -1.412 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.613 -11.970 -1.213 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.617 -10.706 -0.518 1.00 0.79 H new ATOM 0 HG2 GLN A 16 71.248 -12.019 1.308 1.00 0.88 H new ATOM 0 HG3 GLN A 16 70.429 -13.188 0.291 1.00 0.88 H new ATOM 0 HE21 GLN A 16 73.317 -12.570 2.138 1.00 2.20 H new ATOM 0 HE22 GLN A 16 74.184 -14.037 1.673 1.00 2.20 H new ATOM 254 N LYS A 17 71.120 -10.424 -3.599 1.00 0.69 N ATOM 255 CA LYS A 17 70.894 -9.201 -4.422 1.00 0.68 C ATOM 256 C LYS A 17 69.682 -9.399 -5.334 1.00 0.62 C ATOM 257 O LYS A 17 69.032 -8.455 -5.737 1.00 0.57 O ATOM 258 CB LYS A 17 72.169 -9.038 -5.250 1.00 0.79 C ATOM 259 CG LYS A 17 72.904 -7.769 -4.814 1.00 1.01 C ATOM 260 CD LYS A 17 73.409 -7.021 -6.050 1.00 1.53 C ATOM 261 CE LYS A 17 74.912 -7.260 -6.215 1.00 1.70 C ATOM 262 NZ LYS A 17 75.069 -7.777 -7.603 1.00 2.33 N ATOM 0 H LYS A 17 71.965 -10.949 -3.825 1.00 0.69 H new ATOM 0 HA LYS A 17 70.692 -8.321 -3.811 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.814 -9.907 -5.119 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.922 -8.981 -6.310 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.236 -7.130 -4.237 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.741 -8.026 -4.164 1.00 1.01 H new ATOM 0 HD2 LYS A 17 72.876 -7.363 -6.937 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.209 -5.954 -5.949 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.476 -6.339 -6.071 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.280 -7.978 -5.482 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.074 -7.965 -7.792 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.526 -8.658 -7.709 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 74.716 -7.070 -8.279 1.00 2.33 H new ATOM 276 N ASN A 18 69.372 -10.624 -5.663 1.00 0.65 N ATOM 277 CA ASN A 18 68.203 -10.888 -6.546 1.00 0.64 C ATOM 278 C ASN A 18 66.905 -10.540 -5.810 1.00 0.58 C ATOM 279 O ASN A 18 65.952 -10.074 -6.401 1.00 0.56 O ATOM 280 CB ASN A 18 68.286 -12.385 -6.848 1.00 0.73 C ATOM 281 CG ASN A 18 66.917 -12.909 -7.281 1.00 0.91 C ATOM 282 OD1 ASN A 18 66.123 -12.181 -7.844 1.00 1.55 O ATOM 283 ND2 ASN A 18 66.607 -14.152 -7.040 1.00 1.35 N ATOM 0 H ASN A 18 69.880 -11.454 -5.357 1.00 0.65 H new ATOM 0 HA ASN A 18 68.211 -10.290 -7.458 1.00 0.64 H new ATOM 0 HB2 ASN A 18 69.019 -12.565 -7.635 1.00 0.73 H new ATOM 0 HB3 ASN A 18 68.628 -12.924 -5.964 1.00 0.73 H new ATOM 0 HD21 ASN A 18 65.697 -14.515 -7.324 1.00 1.35 H new ATOM 0 HD22 ASN A 18 67.274 -14.762 -6.567 1.00 1.35 H new ATOM 290 N GLU A 19 66.864 -10.759 -4.524 1.00 0.62 N ATOM 291 CA GLU A 19 65.630 -10.433 -3.755 1.00 0.64 C ATOM 292 C GLU A 19 65.400 -8.921 -3.757 1.00 0.58 C ATOM 293 O GLU A 19 64.284 -8.452 -3.859 1.00 0.61 O ATOM 294 CB GLU A 19 65.902 -10.934 -2.335 1.00 0.75 C ATOM 295 CG GLU A 19 64.865 -11.996 -1.961 1.00 1.47 C ATOM 296 CD GLU A 19 64.260 -11.663 -0.596 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.937 -11.874 0.397 1.00 2.50 O ATOM 298 OE2 GLU A 19 63.131 -11.202 -0.567 1.00 2.64 O ATOM 0 H GLU A 19 67.630 -11.149 -3.974 1.00 0.62 H new ATOM 0 HA GLU A 19 64.739 -10.894 -4.182 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.906 -11.353 -2.272 1.00 0.75 H new ATOM 0 HB3 GLU A 19 65.858 -10.104 -1.630 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.081 -12.036 -2.718 1.00 1.47 H new ATOM 0 HG3 GLU A 19 65.332 -12.981 -1.933 1.00 1.47 H new ATOM 305 N PHE A 20 66.451 -8.154 -3.651 1.00 0.58 N ATOM 306 CA PHE A 20 66.296 -6.672 -3.654 1.00 0.59 C ATOM 307 C PHE A 20 65.878 -6.195 -5.046 1.00 0.53 C ATOM 308 O PHE A 20 65.066 -5.302 -5.189 1.00 0.54 O ATOM 309 CB PHE A 20 67.675 -6.127 -3.282 1.00 0.67 C ATOM 310 CG PHE A 20 67.952 -6.424 -1.829 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.948 -6.230 -0.874 1.00 1.87 C ATOM 312 CD2 PHE A 20 69.210 -6.896 -1.435 1.00 1.85 C ATOM 313 CE1 PHE A 20 67.200 -6.508 0.474 1.00 2.57 C ATOM 314 CE2 PHE A 20 69.462 -7.174 -0.087 1.00 2.52 C ATOM 315 CZ PHE A 20 68.457 -6.979 0.868 1.00 2.67 C ATOM 0 H PHE A 20 67.410 -8.490 -3.562 1.00 0.58 H new ATOM 0 HA PHE A 20 65.529 -6.331 -2.959 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.440 -6.582 -3.911 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.714 -5.052 -3.459 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.978 -5.865 -1.178 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.986 -7.045 -2.171 1.00 1.85 H new ATOM 0 HE1 PHE A 20 66.424 -6.359 1.210 1.00 2.57 H new ATOM 0 HE2 PHE A 20 70.432 -7.539 0.217 1.00 2.52 H new ATOM 0 HZ PHE A 20 68.652 -7.192 1.909 1.00 2.67 H new ATOM 325 N LYS A 21 66.416 -6.790 -6.075 1.00 0.53 N ATOM 326 CA LYS A 21 66.036 -6.373 -7.453 1.00 0.53 C ATOM 327 C LYS A 21 64.529 -6.555 -7.643 1.00 0.50 C ATOM 328 O LYS A 21 63.842 -5.676 -8.123 1.00 0.63 O ATOM 329 CB LYS A 21 66.815 -7.306 -8.381 1.00 0.61 C ATOM 330 CG LYS A 21 66.656 -6.838 -9.829 1.00 0.68 C ATOM 331 CD LYS A 21 67.641 -5.702 -10.112 1.00 1.26 C ATOM 332 CE LYS A 21 67.657 -5.401 -11.613 1.00 1.85 C ATOM 333 NZ LYS A 21 67.959 -3.945 -11.711 1.00 1.94 N ATOM 0 H LYS A 21 67.100 -7.545 -6.021 1.00 0.53 H new ATOM 0 HA LYS A 21 66.265 -5.326 -7.655 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.869 -7.314 -8.104 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.450 -8.328 -8.276 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.837 -7.668 -10.512 1.00 0.68 H new ATOM 0 HG3 LYS A 21 65.635 -6.499 -10.002 1.00 0.68 H new ATOM 0 HD2 LYS A 21 67.354 -4.810 -9.555 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.640 -5.980 -9.776 1.00 1.26 H new ATOM 0 HE2 LYS A 21 68.412 -5.996 -12.127 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.697 -5.637 -12.073 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 67.987 -3.663 -12.712 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 67.220 -3.403 -11.219 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.881 -3.751 -11.271 1.00 1.94 H new ATOM 347 N ALA A 22 64.009 -7.691 -7.262 1.00 0.51 N ATOM 348 CA ALA A 22 62.546 -7.930 -7.409 1.00 0.60 C ATOM 349 C ALA A 22 61.782 -7.214 -6.291 1.00 0.51 C ATOM 350 O ALA A 22 60.568 -7.179 -6.281 1.00 0.50 O ATOM 351 CB ALA A 22 62.379 -9.446 -7.293 1.00 0.76 C ATOM 0 H ALA A 22 64.536 -8.464 -6.855 1.00 0.51 H new ATOM 0 HA ALA A 22 62.155 -7.551 -8.353 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.325 -9.704 -7.391 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.948 -9.936 -8.083 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.745 -9.779 -6.322 1.00 0.76 H new ATOM 357 N ALA A 23 62.486 -6.639 -5.352 1.00 0.51 N ATOM 358 CA ALA A 23 61.803 -5.919 -4.238 1.00 0.47 C ATOM 359 C ALA A 23 61.984 -4.409 -4.403 1.00 0.43 C ATOM 360 O ALA A 23 61.447 -3.621 -3.649 1.00 0.46 O ATOM 361 CB ALA A 23 62.494 -6.403 -2.962 1.00 0.58 C ATOM 0 H ALA A 23 63.505 -6.637 -5.309 1.00 0.51 H new ATOM 0 HA ALA A 23 60.731 -6.115 -4.217 1.00 0.47 H new ATOM 0 HB1 ALA A 23 62.044 -5.915 -2.097 1.00 0.58 H new ATOM 0 HB2 ALA A 23 62.376 -7.483 -2.872 1.00 0.58 H new ATOM 0 HB3 ALA A 23 63.555 -6.156 -3.007 1.00 0.58 H new ATOM 367 N PHE A 24 62.739 -3.999 -5.387 1.00 0.54 N ATOM 368 CA PHE A 24 62.959 -2.541 -5.604 1.00 0.56 C ATOM 369 C PHE A 24 62.353 -2.110 -6.944 1.00 0.56 C ATOM 370 O PHE A 24 61.650 -1.123 -7.029 1.00 0.60 O ATOM 371 CB PHE A 24 64.481 -2.372 -5.621 1.00 0.66 C ATOM 372 CG PHE A 24 64.838 -1.043 -6.240 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.807 -0.890 -7.632 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.198 0.035 -5.425 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.137 0.342 -8.207 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.529 1.268 -6.000 1.00 1.24 C ATOM 377 CZ PHE A 24 65.498 1.422 -7.392 1.00 0.94 C ATOM 0 H PHE A 24 63.213 -4.612 -6.050 1.00 0.54 H new ATOM 0 HA PHE A 24 62.489 -1.930 -4.833 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.874 -2.429 -4.606 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.940 -3.183 -6.187 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.529 -1.723 -8.261 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.221 -0.084 -4.352 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.113 0.460 -9.280 1.00 1.61 H new ATOM 0 HE2 PHE A 24 65.808 2.100 -5.371 1.00 1.24 H new ATOM 0 HZ PHE A 24 65.752 2.373 -7.836 1.00 0.94 H new ATOM 387 N ASP A 25 62.623 -2.842 -7.990 1.00 0.58 N ATOM 388 CA ASP A 25 62.064 -2.475 -9.325 1.00 0.64 C ATOM 389 C ASP A 25 60.534 -2.513 -9.291 1.00 0.66 C ATOM 390 O ASP A 25 59.872 -2.051 -10.199 1.00 0.76 O ATOM 391 CB ASP A 25 62.605 -3.534 -10.285 1.00 0.68 C ATOM 392 CG ASP A 25 63.258 -2.848 -11.486 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.893 -1.827 -11.285 1.00 1.58 O ATOM 394 OD2 ASP A 25 63.111 -3.356 -12.585 1.00 1.78 O ATOM 0 H ASP A 25 63.206 -3.679 -7.979 1.00 0.58 H new ATOM 0 HA ASP A 25 62.348 -1.467 -9.627 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.332 -4.166 -9.774 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.796 -4.184 -10.619 1.00 0.68 H new ATOM 399 N ILE A 26 59.968 -3.063 -8.253 1.00 0.61 N ATOM 400 CA ILE A 26 58.481 -3.134 -8.162 1.00 0.67 C ATOM 401 C ILE A 26 57.886 -1.727 -8.038 1.00 0.73 C ATOM 402 O ILE A 26 56.695 -1.532 -8.182 1.00 0.99 O ATOM 403 CB ILE A 26 58.204 -3.948 -6.903 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.672 -5.388 -7.126 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.702 -3.935 -6.606 1.00 0.83 C ATOM 406 CD1 ILE A 26 58.098 -6.290 -6.034 1.00 0.84 C ATOM 0 H ILE A 26 60.471 -3.467 -7.463 1.00 0.61 H new ATOM 0 HA ILE A 26 58.034 -3.586 -9.047 1.00 0.67 H new ATOM 0 HB ILE A 26 58.740 -3.515 -6.058 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.350 -5.738 -8.107 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.761 -5.433 -7.113 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.504 -4.517 -5.706 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.370 -2.908 -6.454 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.161 -4.371 -7.446 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.433 -7.315 -6.195 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.442 -5.945 -5.059 1.00 0.84 H new ATOM 0 HD13 ILE A 26 57.009 -6.255 -6.068 1.00 0.84 H new ATOM 418 N PHE A 27 58.705 -0.746 -7.773 1.00 0.57 N ATOM 419 CA PHE A 27 58.182 0.644 -7.642 1.00 0.63 C ATOM 420 C PHE A 27 59.262 1.656 -8.033 1.00 0.59 C ATOM 421 O PHE A 27 59.601 2.541 -7.274 1.00 0.67 O ATOM 422 CB PHE A 27 57.818 0.792 -6.164 1.00 0.70 C ATOM 423 CG PHE A 27 56.591 -0.035 -5.865 1.00 0.67 C ATOM 424 CD1 PHE A 27 55.414 0.169 -6.596 1.00 1.17 C ATOM 425 CD2 PHE A 27 56.630 -1.007 -4.858 1.00 1.44 C ATOM 426 CE1 PHE A 27 54.277 -0.600 -6.320 1.00 1.20 C ATOM 427 CE2 PHE A 27 55.493 -1.776 -4.583 1.00 1.65 C ATOM 428 CZ PHE A 27 54.317 -1.573 -5.314 1.00 1.09 C ATOM 0 H PHE A 27 59.712 -0.846 -7.642 1.00 0.57 H new ATOM 0 HA PHE A 27 57.327 0.826 -8.293 1.00 0.63 H new ATOM 0 HB2 PHE A 27 58.650 0.468 -5.539 1.00 0.70 H new ATOM 0 HB3 PHE A 27 57.631 1.839 -5.927 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.383 0.919 -7.372 1.00 1.17 H new ATOM 0 HD2 PHE A 27 57.537 -1.163 -4.293 1.00 1.44 H new ATOM 0 HE1 PHE A 27 53.369 -0.443 -6.883 1.00 1.20 H new ATOM 0 HE2 PHE A 27 55.523 -2.526 -3.807 1.00 1.65 H new ATOM 0 HZ PHE A 27 53.440 -2.167 -5.102 1.00 1.09 H new ATOM 438 N VAL A 28 59.804 1.533 -9.215 1.00 0.58 N ATOM 439 CA VAL A 28 60.860 2.491 -9.650 1.00 0.59 C ATOM 440 C VAL A 28 60.227 3.822 -10.055 1.00 0.64 C ATOM 441 O VAL A 28 60.905 4.814 -10.235 1.00 0.73 O ATOM 442 CB VAL A 28 61.542 1.816 -10.847 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.236 2.866 -11.718 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.582 0.815 -10.339 1.00 1.37 C ATOM 0 H VAL A 28 59.562 0.813 -9.896 1.00 0.58 H new ATOM 0 HA VAL A 28 61.574 2.714 -8.857 1.00 0.59 H new ATOM 0 HB VAL A 28 60.788 1.300 -11.442 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.717 2.376 -12.565 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.499 3.581 -12.083 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.987 3.390 -11.127 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.068 0.334 -11.187 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.329 1.338 -9.741 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.091 0.059 -9.726 1.00 1.37 H new ATOM 454 N LEU A 29 58.933 3.838 -10.184 1.00 0.75 N ATOM 455 CA LEU A 29 58.214 5.092 -10.570 1.00 0.91 C ATOM 456 C LEU A 29 59.055 5.918 -11.549 1.00 1.10 C ATOM 457 O LEU A 29 59.003 7.132 -11.555 1.00 1.54 O ATOM 458 CB LEU A 29 58.017 5.853 -9.260 1.00 1.17 C ATOM 459 CG LEU A 29 56.540 5.811 -8.863 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.324 4.724 -7.809 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.127 7.168 -8.289 1.00 1.73 C ATOM 0 H LEU A 29 58.330 3.028 -10.038 1.00 0.75 H new ATOM 0 HA LEU A 29 57.268 4.883 -11.070 1.00 0.91 H new ATOM 0 HB2 LEU A 29 58.629 5.410 -8.474 1.00 1.17 H new ATOM 0 HB3 LEU A 29 58.345 6.886 -9.374 1.00 1.17 H new ATOM 0 HG LEU A 29 55.935 5.589 -9.742 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.272 4.695 -7.527 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.617 3.757 -8.218 1.00 2.09 H new ATOM 0 HD13 LEU A 29 56.929 4.944 -6.930 1.00 2.09 H new ATOM 0 HD21 LEU A 29 55.075 7.138 -8.006 1.00 1.73 H new ATOM 0 HD22 LEU A 29 56.733 7.391 -7.411 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.279 7.943 -9.041 1.00 1.73 H new ATOM 473 N GLY A 30 59.836 5.270 -12.368 1.00 1.47 N ATOM 474 CA GLY A 30 60.685 6.018 -13.336 1.00 1.89 C ATOM 475 C GLY A 30 61.801 6.737 -12.575 1.00 1.94 C ATOM 476 O GLY A 30 62.874 6.203 -12.378 1.00 2.46 O ATOM 0 H GLY A 30 59.923 4.255 -12.409 1.00 1.47 H new ATOM 0 HA2 GLY A 30 61.111 5.333 -14.069 1.00 1.89 H new ATOM 0 HA3 GLY A 30 60.081 6.739 -13.887 1.00 1.89 H new ATOM 480 N ALA A 31 61.552 7.944 -12.143 1.00 1.89 N ATOM 481 CA ALA A 31 62.592 8.702 -11.388 1.00 2.14 C ATOM 482 C ALA A 31 63.974 8.489 -12.014 1.00 2.28 C ATOM 483 O ALA A 31 64.666 7.538 -11.708 1.00 2.46 O ATOM 484 CB ALA A 31 62.550 8.126 -9.972 1.00 1.97 C ATOM 0 H ALA A 31 60.671 8.439 -12.281 1.00 1.89 H new ATOM 0 HA ALA A 31 62.406 9.776 -11.400 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.289 8.633 -9.351 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.557 8.274 -9.548 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.774 7.060 -10.006 1.00 1.97 H new ATOM 490 N GLU A 32 64.383 9.371 -12.884 1.00 2.73 N ATOM 491 CA GLU A 32 65.718 9.227 -13.530 1.00 2.98 C ATOM 492 C GLU A 32 65.754 7.962 -14.389 1.00 2.33 C ATOM 493 O GLU A 32 65.689 8.020 -15.600 1.00 2.34 O ATOM 494 CB GLU A 32 66.709 9.118 -12.370 1.00 3.71 C ATOM 495 CG GLU A 32 67.614 10.352 -12.353 1.00 4.48 C ATOM 496 CD GLU A 32 68.549 10.317 -13.562 1.00 5.14 C ATOM 497 OE1 GLU A 32 68.100 9.911 -14.622 1.00 5.38 O ATOM 498 OE2 GLU A 32 69.698 10.698 -13.409 1.00 5.71 O ATOM 0 H GLU A 32 63.848 10.189 -13.176 1.00 2.73 H new ATOM 0 HA GLU A 32 65.952 10.064 -14.188 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.172 9.035 -11.425 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.310 8.215 -12.475 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.010 11.259 -12.373 1.00 4.48 H new ATOM 0 HG3 GLU A 32 68.195 10.377 -11.431 1.00 4.48 H new ATOM 505 N ASP A 33 65.853 6.820 -13.766 1.00 2.13 N ATOM 506 CA ASP A 33 65.893 5.540 -14.537 1.00 2.25 C ATOM 507 C ASP A 33 66.224 4.371 -13.603 1.00 1.67 C ATOM 508 O ASP A 33 67.309 3.826 -13.634 1.00 2.00 O ATOM 509 CB ASP A 33 67.002 5.729 -15.577 1.00 3.20 C ATOM 510 CG ASP A 33 67.424 4.369 -16.136 1.00 3.87 C ATOM 511 OD1 ASP A 33 66.553 3.538 -16.339 1.00 4.49 O ATOM 512 OD2 ASP A 33 68.610 4.180 -16.352 1.00 4.16 O ATOM 0 H ASP A 33 65.908 6.715 -12.753 1.00 2.13 H new ATOM 0 HA ASP A 33 64.935 5.313 -15.005 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.651 6.371 -16.384 1.00 3.20 H new ATOM 0 HB3 ASP A 33 67.858 6.228 -15.123 1.00 3.20 H new ATOM 517 N GLY A 34 65.296 3.979 -12.772 1.00 1.10 N ATOM 518 CA GLY A 34 65.565 2.843 -11.845 1.00 1.18 C ATOM 519 C GLY A 34 65.741 3.370 -10.421 1.00 0.92 C ATOM 520 O GLY A 34 66.616 2.943 -9.694 1.00 1.03 O ATOM 0 H GLY A 34 64.368 4.394 -12.695 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.741 2.130 -11.880 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.462 2.309 -12.159 1.00 1.18 H new ATOM 524 N CYS A 35 64.914 4.293 -10.014 1.00 0.78 N ATOM 525 CA CYS A 35 65.031 4.847 -8.635 1.00 0.68 C ATOM 526 C CYS A 35 63.646 4.936 -7.989 1.00 0.69 C ATOM 527 O CYS A 35 62.652 5.143 -8.657 1.00 0.89 O ATOM 528 CB CYS A 35 65.629 6.241 -8.818 1.00 0.78 C ATOM 529 SG CYS A 35 67.103 6.130 -9.862 1.00 1.27 S ATOM 0 H CYS A 35 64.161 4.688 -10.577 1.00 0.78 H new ATOM 0 HA CYS A 35 65.647 4.224 -7.987 1.00 0.68 H new ATOM 0 HB2 CYS A 35 64.896 6.906 -9.274 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.887 6.668 -7.849 1.00 0.78 H new ATOM 0 HG CYS A 35 67.613 7.315 -10.020 1.00 1.27 H new ATOM 535 N ILE A 36 63.571 4.779 -6.697 1.00 0.57 N ATOM 536 CA ILE A 36 62.246 4.853 -6.016 1.00 0.57 C ATOM 537 C ILE A 36 62.165 6.111 -5.149 1.00 0.50 C ATOM 538 O ILE A 36 63.155 6.768 -4.896 1.00 0.60 O ATOM 539 CB ILE A 36 62.175 3.601 -5.144 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.199 3.714 -4.012 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.489 2.368 -5.993 1.00 0.72 C ATOM 542 CD1 ILE A 36 62.928 2.628 -2.969 1.00 0.75 C ATOM 0 H ILE A 36 64.367 4.603 -6.084 1.00 0.57 H new ATOM 0 HA ILE A 36 61.422 4.902 -6.728 1.00 0.57 H new ATOM 0 HB ILE A 36 61.174 3.506 -4.724 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.209 3.608 -4.409 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.139 4.700 -3.550 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.438 1.475 -5.370 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.762 2.288 -6.802 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.491 2.461 -6.413 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.657 2.708 -2.163 1.00 0.75 H new ATOM 0 HD12 ILE A 36 61.924 2.755 -2.564 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.010 1.647 -3.436 1.00 0.75 H new ATOM 554 N SER A 37 60.991 6.449 -4.691 1.00 0.54 N ATOM 555 CA SER A 37 60.847 7.662 -3.837 1.00 0.50 C ATOM 556 C SER A 37 61.196 7.325 -2.385 1.00 0.48 C ATOM 557 O SER A 37 60.909 6.247 -1.902 1.00 0.60 O ATOM 558 CB SER A 37 59.376 8.058 -3.957 1.00 0.55 C ATOM 559 OG SER A 37 59.220 9.416 -3.568 1.00 1.02 O ATOM 0 H SER A 37 60.126 5.939 -4.871 1.00 0.54 H new ATOM 0 HA SER A 37 61.511 8.469 -4.146 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.033 7.920 -4.983 1.00 0.55 H new ATOM 0 HB3 SER A 37 58.762 7.415 -3.327 1.00 0.55 H new ATOM 0 HG SER A 37 59.249 9.989 -4.362 1.00 1.02 H new ATOM 565 N THR A 38 61.816 8.234 -1.685 1.00 0.48 N ATOM 566 CA THR A 38 62.183 7.960 -0.266 1.00 0.53 C ATOM 567 C THR A 38 60.942 7.551 0.530 1.00 0.53 C ATOM 568 O THR A 38 61.025 6.815 1.494 1.00 0.59 O ATOM 569 CB THR A 38 62.748 9.279 0.259 1.00 0.64 C ATOM 570 OG1 THR A 38 61.979 10.359 -0.253 1.00 0.62 O ATOM 571 CG2 THR A 38 64.202 9.429 -0.187 1.00 0.85 C ATOM 0 H THR A 38 62.085 9.154 -2.033 1.00 0.48 H new ATOM 0 HA THR A 38 62.901 7.145 -0.174 1.00 0.53 H new ATOM 0 HB THR A 38 62.704 9.285 1.348 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.366 10.664 -1.100 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.603 10.371 0.189 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.791 8.601 0.208 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.251 9.423 -1.276 1.00 0.85 H new ATOM 579 N LYS A 39 59.790 8.023 0.138 1.00 0.60 N ATOM 580 CA LYS A 39 58.545 7.662 0.874 1.00 0.73 C ATOM 581 C LYS A 39 58.107 6.241 0.508 1.00 0.66 C ATOM 582 O LYS A 39 57.261 5.656 1.154 1.00 0.87 O ATOM 583 CB LYS A 39 57.502 8.680 0.412 1.00 0.90 C ATOM 584 CG LYS A 39 57.215 8.478 -1.076 1.00 1.78 C ATOM 585 CD LYS A 39 56.125 9.455 -1.524 1.00 2.12 C ATOM 586 CE LYS A 39 55.820 9.234 -3.007 1.00 2.70 C ATOM 587 NZ LYS A 39 56.489 10.364 -3.709 1.00 2.96 N ATOM 0 H LYS A 39 59.657 8.643 -0.661 1.00 0.60 H new ATOM 0 HA LYS A 39 58.684 7.683 1.955 1.00 0.73 H new ATOM 0 HB2 LYS A 39 56.585 8.564 0.989 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.864 9.693 0.589 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.123 8.638 -1.657 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.896 7.452 -1.260 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.223 9.307 -0.930 1.00 2.12 H new ATOM 0 HD3 LYS A 39 56.451 10.482 -1.358 1.00 2.12 H new ATOM 0 HE2 LYS A 39 56.204 8.273 -3.350 1.00 2.70 H new ATOM 0 HE3 LYS A 39 54.746 9.233 -3.194 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 56.202 10.371 -4.708 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 56.213 11.262 -3.263 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 57.521 10.250 -3.646 1.00 2.96 H new ATOM 601 N GLU A 40 58.679 5.681 -0.523 1.00 0.52 N ATOM 602 CA GLU A 40 58.295 4.297 -0.928 1.00 0.56 C ATOM 603 C GLU A 40 59.170 3.273 -0.202 1.00 0.52 C ATOM 604 O GLU A 40 58.710 2.222 0.200 1.00 0.59 O ATOM 605 CB GLU A 40 58.542 4.242 -2.435 1.00 0.71 C ATOM 606 CG GLU A 40 57.406 4.961 -3.165 1.00 1.06 C ATOM 607 CD GLU A 40 56.269 3.974 -3.436 1.00 1.41 C ATOM 608 OE1 GLU A 40 56.381 2.838 -3.005 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.306 4.370 -4.072 1.00 2.23 O ATOM 0 H GLU A 40 59.395 6.120 -1.102 1.00 0.52 H new ATOM 0 HA GLU A 40 57.260 4.065 -0.677 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.497 4.710 -2.675 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.603 3.205 -2.767 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.043 5.794 -2.564 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.770 5.380 -4.103 1.00 1.06 H new ATOM 616 N LEU A 41 60.428 3.572 -0.027 1.00 0.51 N ATOM 617 CA LEU A 41 61.330 2.615 0.675 1.00 0.54 C ATOM 618 C LEU A 41 60.631 2.046 1.912 1.00 0.56 C ATOM 619 O LEU A 41 60.727 0.870 2.206 1.00 0.70 O ATOM 620 CB LEU A 41 62.549 3.445 1.079 1.00 0.62 C ATOM 621 CG LEU A 41 63.821 2.631 0.840 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.016 3.354 1.462 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.669 1.251 1.483 1.00 1.40 C ATOM 0 H LEU A 41 60.870 4.437 -0.339 1.00 0.51 H new ATOM 0 HA LEU A 41 61.606 1.767 0.048 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.581 4.369 0.501 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.478 3.728 2.129 1.00 0.62 H new ATOM 0 HG LEU A 41 63.984 2.518 -0.232 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.922 2.773 1.291 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.124 4.338 1.005 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.855 3.468 2.534 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.575 0.669 1.314 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.506 1.365 2.555 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.818 0.735 1.039 1.00 1.40 H new ATOM 635 N GLY A 42 59.924 2.870 2.638 1.00 0.57 N ATOM 636 CA GLY A 42 59.217 2.371 3.851 1.00 0.60 C ATOM 637 C GLY A 42 58.460 1.090 3.501 1.00 0.55 C ATOM 638 O GLY A 42 58.684 0.046 4.081 1.00 0.57 O ATOM 0 H GLY A 42 59.806 3.864 2.444 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.933 2.178 4.650 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.524 3.128 4.220 1.00 0.60 H new ATOM 642 N LYS A 43 57.567 1.158 2.551 1.00 0.57 N ATOM 643 CA LYS A 43 56.802 -0.060 2.159 1.00 0.58 C ATOM 644 C LYS A 43 57.770 -1.183 1.780 1.00 0.56 C ATOM 645 O LYS A 43 57.626 -2.312 2.205 1.00 0.60 O ATOM 646 CB LYS A 43 55.975 0.368 0.947 1.00 0.65 C ATOM 647 CG LYS A 43 54.525 -0.086 1.130 1.00 0.99 C ATOM 648 CD LYS A 43 53.631 1.136 1.351 1.00 1.28 C ATOM 649 CE LYS A 43 52.364 1.002 0.503 1.00 1.53 C ATOM 650 NZ LYS A 43 51.240 1.201 1.460 1.00 1.86 N ATOM 0 H LYS A 43 57.334 2.003 2.030 1.00 0.57 H new ATOM 0 HA LYS A 43 56.174 -0.437 2.966 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.016 1.451 0.830 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.391 -0.067 0.038 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.192 -0.639 0.252 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.450 -0.764 1.981 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.368 1.222 2.405 1.00 1.28 H new ATOM 0 HD3 LYS A 43 54.167 2.046 1.081 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.341 1.746 -0.294 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.309 0.023 0.027 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 50.335 1.124 0.953 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 51.284 0.475 2.203 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 51.315 2.144 1.893 1.00 1.86 H new ATOM 664 N VAL A 44 58.760 -0.878 0.986 1.00 0.54 N ATOM 665 CA VAL A 44 59.743 -1.923 0.581 1.00 0.56 C ATOM 666 C VAL A 44 60.483 -2.448 1.816 1.00 0.59 C ATOM 667 O VAL A 44 60.843 -3.607 1.890 1.00 0.57 O ATOM 668 CB VAL A 44 60.703 -1.205 -0.376 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.057 -1.920 -0.404 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.106 -1.203 -1.785 1.00 1.36 C ATOM 0 H VAL A 44 58.931 0.051 0.600 1.00 0.54 H new ATOM 0 HA VAL A 44 59.274 -2.786 0.108 1.00 0.56 H new ATOM 0 HB VAL A 44 60.848 -0.181 -0.030 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.729 -1.400 -1.087 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.488 -1.922 0.597 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.919 -2.947 -0.742 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.786 -0.693 -2.468 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.959 -2.230 -2.119 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.147 -0.684 -1.773 1.00 1.36 H new ATOM 680 N MET A 45 60.711 -1.606 2.787 1.00 0.74 N ATOM 681 CA MET A 45 61.426 -2.060 4.015 1.00 0.84 C ATOM 682 C MET A 45 60.615 -3.149 4.722 1.00 0.86 C ATOM 683 O MET A 45 61.127 -4.199 5.058 1.00 0.89 O ATOM 684 CB MET A 45 61.535 -0.815 4.895 1.00 0.96 C ATOM 685 CG MET A 45 62.806 -0.044 4.535 1.00 1.12 C ATOM 686 SD MET A 45 63.854 0.112 6.002 1.00 1.48 S ATOM 687 CE MET A 45 65.449 0.063 5.151 1.00 0.73 C ATOM 0 H MET A 45 60.434 -0.624 2.784 1.00 0.74 H new ATOM 0 HA MET A 45 62.404 -2.485 3.791 1.00 0.84 H new ATOM 0 HB2 MET A 45 60.660 -0.180 4.755 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.556 -1.101 5.947 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.346 -0.562 3.743 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.549 0.944 4.152 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.254 0.146 5.881 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.545 -0.879 4.611 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.511 0.893 4.447 1.00 0.73 H new ATOM 697 N ARG A 46 59.353 -2.907 4.950 1.00 0.94 N ATOM 698 CA ARG A 46 58.511 -3.929 5.636 1.00 1.04 C ATOM 699 C ARG A 46 58.195 -5.085 4.682 1.00 1.00 C ATOM 700 O ARG A 46 57.739 -6.133 5.092 1.00 1.04 O ATOM 701 CB ARG A 46 57.231 -3.191 6.030 1.00 1.21 C ATOM 702 CG ARG A 46 56.489 -2.744 4.769 1.00 1.04 C ATOM 703 CD ARG A 46 54.995 -3.030 4.926 1.00 1.77 C ATOM 704 NE ARG A 46 54.889 -4.515 4.953 1.00 2.29 N ATOM 705 CZ ARG A 46 53.827 -5.087 5.453 1.00 2.76 C ATOM 706 NH1 ARG A 46 52.782 -4.369 5.764 1.00 3.45 N ATOM 707 NH2 ARG A 46 53.810 -6.378 5.642 1.00 3.10 N ATOM 0 H ARG A 46 58.869 -2.047 4.692 1.00 0.94 H new ATOM 0 HA ARG A 46 59.013 -4.362 6.501 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.593 -3.842 6.628 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.473 -2.326 6.648 1.00 1.21 H new ATOM 0 HG2 ARG A 46 56.650 -1.680 4.598 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.881 -3.270 3.898 1.00 1.04 H new ATOM 0 HD2 ARG A 46 54.603 -2.589 5.843 1.00 1.77 H new ATOM 0 HD3 ARG A 46 54.423 -2.608 4.099 1.00 1.77 H new ATOM 0 HE ARG A 46 55.647 -5.086 4.580 1.00 2.29 H new ATOM 0 HH11 ARG A 46 52.794 -3.360 5.616 1.00 3.45 H new ATOM 0 HH12 ARG A 46 51.953 -4.817 6.154 1.00 3.45 H new ATOM 0 HH21 ARG A 46 54.626 -6.940 5.399 1.00 3.10 H new ATOM 0 HH22 ARG A 46 52.981 -6.825 6.033 1.00 3.10 H new ATOM 721 N MET A 47 58.435 -4.902 3.412 1.00 0.98 N ATOM 722 CA MET A 47 58.150 -5.994 2.436 1.00 1.04 C ATOM 723 C MET A 47 59.273 -7.033 2.466 1.00 0.99 C ATOM 724 O MET A 47 59.102 -8.161 2.045 1.00 1.07 O ATOM 725 CB MET A 47 58.093 -5.305 1.073 1.00 1.19 C ATOM 726 CG MET A 47 56.635 -5.047 0.689 1.00 1.37 C ATOM 727 SD MET A 47 56.573 -4.198 -0.909 1.00 1.89 S ATOM 728 CE MET A 47 56.903 -5.644 -1.947 1.00 1.30 C ATOM 0 H MET A 47 58.815 -4.046 3.008 1.00 0.98 H new ATOM 0 HA MET A 47 57.223 -6.520 2.664 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.643 -4.364 1.106 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.573 -5.928 0.319 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.090 -5.989 0.634 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.148 -4.442 1.454 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.813 -5.478 -2.523 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.028 -6.524 -1.316 1.00 1.30 H new ATOM 0 HE3 MET A 47 56.066 -5.802 -2.628 1.00 1.30 H new ATOM 738 N LEU A 48 60.421 -6.662 2.962 1.00 0.93 N ATOM 739 CA LEU A 48 61.558 -7.626 3.019 1.00 0.98 C ATOM 740 C LEU A 48 61.646 -8.256 4.411 1.00 1.32 C ATOM 741 O LEU A 48 62.442 -9.141 4.653 1.00 1.80 O ATOM 742 CB LEU A 48 62.802 -6.785 2.733 1.00 1.21 C ATOM 743 CG LEU A 48 63.024 -6.700 1.221 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.960 -5.532 0.908 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.652 -8.004 0.726 1.00 1.86 C ATOM 0 H LEU A 48 60.622 -5.732 3.331 1.00 0.93 H new ATOM 0 HA LEU A 48 61.444 -8.443 2.307 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.682 -5.785 3.150 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.673 -7.229 3.215 1.00 1.21 H new ATOM 0 HG LEU A 48 62.068 -6.543 0.721 1.00 1.28 H new ATOM 0 HD11 LEU A 48 64.118 -5.471 -0.169 1.00 2.11 H new ATOM 0 HD12 LEU A 48 63.513 -4.603 1.262 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.916 -5.688 1.407 1.00 2.11 H new ATOM 0 HD21 LEU A 48 63.811 -7.946 -0.351 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.608 -8.160 1.226 1.00 1.86 H new ATOM 0 HD23 LEU A 48 62.985 -8.837 0.950 1.00 1.86 H new ATOM 757 N GLY A 49 60.834 -7.807 5.329 1.00 1.36 N ATOM 758 CA GLY A 49 60.873 -8.380 6.704 1.00 1.95 C ATOM 759 C GLY A 49 61.283 -7.291 7.697 1.00 1.43 C ATOM 760 O GLY A 49 60.734 -7.181 8.774 1.00 1.92 O ATOM 0 H GLY A 49 60.145 -7.068 5.186 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.895 -8.781 6.971 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.579 -9.209 6.744 1.00 1.95 H new ATOM 764 N GLN A 50 62.245 -6.484 7.340 1.00 1.21 N ATOM 765 CA GLN A 50 62.690 -5.401 8.262 1.00 1.01 C ATOM 766 C GLN A 50 61.545 -4.414 8.508 1.00 1.02 C ATOM 767 O GLN A 50 60.791 -4.091 7.613 1.00 1.23 O ATOM 768 CB GLN A 50 63.846 -4.712 7.534 1.00 1.43 C ATOM 769 CG GLN A 50 65.147 -5.469 7.808 1.00 1.58 C ATOM 770 CD GLN A 50 65.295 -6.611 6.800 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.073 -6.428 5.620 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.665 -7.790 7.219 1.00 3.14 N ATOM 0 H GLN A 50 62.742 -6.528 6.450 1.00 1.21 H new ATOM 0 HA GLN A 50 62.993 -5.785 9.236 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.649 -4.683 6.462 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.937 -3.679 7.870 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.997 -4.791 7.733 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.143 -5.864 8.824 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.851 -7.944 8.210 1.00 3.14 H new ATOM 0 HE22 GLN A 50 65.768 -8.558 6.556 1.00 3.14 H new ATOM 781 N ASN A 51 61.411 -3.935 9.713 1.00 0.98 N ATOM 782 CA ASN A 51 60.313 -2.971 10.013 1.00 1.08 C ATOM 783 C ASN A 51 60.832 -1.828 10.890 1.00 0.93 C ATOM 784 O ASN A 51 60.354 -1.623 11.987 1.00 1.15 O ATOM 785 CB ASN A 51 59.263 -3.789 10.767 1.00 1.52 C ATOM 786 CG ASN A 51 58.219 -4.314 9.780 1.00 1.82 C ATOM 787 OD1 ASN A 51 57.111 -3.818 9.729 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.525 -5.307 8.990 1.00 2.47 N ATOM 0 H ASN A 51 62.013 -4.168 10.503 1.00 0.98 H new ATOM 0 HA ASN A 51 59.907 -2.517 9.109 1.00 1.08 H new ATOM 0 HB2 ASN A 51 59.739 -4.621 11.286 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.783 -3.172 11.527 1.00 1.52 H new ATOM 0 HD21 ASN A 51 57.834 -5.666 8.331 1.00 2.47 H new ATOM 0 HD22 ASN A 51 59.455 -5.724 9.032 1.00 2.47 H new ATOM 795 N PRO A 52 61.796 -1.120 10.370 1.00 0.72 N ATOM 796 CA PRO A 52 62.389 0.018 11.114 1.00 0.80 C ATOM 797 C PRO A 52 61.421 1.206 11.129 1.00 0.80 C ATOM 798 O PRO A 52 60.306 1.116 10.654 1.00 0.80 O ATOM 799 CB PRO A 52 63.646 0.351 10.315 1.00 0.85 C ATOM 800 CG PRO A 52 63.370 -0.145 8.931 1.00 0.79 C ATOM 801 CD PRO A 52 62.420 -1.310 9.056 1.00 0.71 C ATOM 0 HA PRO A 52 62.603 -0.214 12.157 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.843 1.423 10.318 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.524 -0.135 10.740 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.933 0.644 8.320 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.294 -0.453 8.441 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.678 -1.307 8.258 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.947 -2.263 8.998 1.00 0.71 H new ATOM 809 N THR A 53 61.839 2.317 11.670 1.00 0.87 N ATOM 810 CA THR A 53 60.944 3.509 11.716 1.00 0.92 C ATOM 811 C THR A 53 61.285 4.470 10.572 1.00 0.82 C ATOM 812 O THR A 53 62.407 4.506 10.106 1.00 0.76 O ATOM 813 CB THR A 53 61.227 4.164 13.069 1.00 1.08 C ATOM 814 OG1 THR A 53 60.382 5.294 13.234 1.00 1.26 O ATOM 815 CG2 THR A 53 62.689 4.606 13.129 1.00 1.54 C ATOM 0 H THR A 53 62.762 2.452 12.083 1.00 0.87 H new ATOM 0 HA THR A 53 59.893 3.242 11.604 1.00 0.92 H new ATOM 0 HB THR A 53 61.034 3.446 13.866 1.00 1.08 H new ATOM 0 HG1 THR A 53 60.562 5.713 14.101 1.00 1.26 H new ATOM 0 HG21 THR A 53 62.889 5.072 14.094 1.00 1.54 H new ATOM 0 HG22 THR A 53 63.337 3.738 13.004 1.00 1.54 H new ATOM 0 HG23 THR A 53 62.885 5.323 12.332 1.00 1.54 H new ATOM 823 N PRO A 54 60.300 5.218 10.158 1.00 0.82 N ATOM 824 CA PRO A 54 60.494 6.194 9.056 1.00 0.75 C ATOM 825 C PRO A 54 61.342 7.375 9.536 1.00 0.73 C ATOM 826 O PRO A 54 62.045 7.998 8.766 1.00 0.69 O ATOM 827 CB PRO A 54 59.074 6.640 8.718 1.00 0.83 C ATOM 828 CG PRO A 54 58.287 6.402 9.966 1.00 0.94 C ATOM 829 CD PRO A 54 58.924 5.230 10.670 1.00 0.93 C ATOM 0 HA PRO A 54 61.017 5.775 8.196 1.00 0.75 H new ATOM 0 HB2 PRO A 54 59.048 7.691 8.430 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.670 6.070 7.882 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.297 7.287 10.603 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.244 6.190 9.730 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.901 5.354 11.753 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.405 4.298 10.445 1.00 0.93 H new ATOM 837 N GLU A 55 61.284 7.685 10.802 1.00 0.85 N ATOM 838 CA GLU A 55 62.090 8.824 11.326 1.00 0.87 C ATOM 839 C GLU A 55 63.580 8.560 11.101 1.00 0.84 C ATOM 840 O GLU A 55 64.378 9.473 11.024 1.00 0.82 O ATOM 841 CB GLU A 55 61.772 8.881 12.821 1.00 1.02 C ATOM 842 CG GLU A 55 60.329 9.350 13.019 1.00 1.48 C ATOM 843 CD GLU A 55 60.104 9.705 14.490 1.00 2.02 C ATOM 844 OE1 GLU A 55 61.076 9.735 15.227 1.00 2.53 O ATOM 845 OE2 GLU A 55 58.964 9.939 14.854 1.00 2.57 O ATOM 0 H GLU A 55 60.714 7.200 11.495 1.00 0.85 H new ATOM 0 HA GLU A 55 61.855 9.763 10.826 1.00 0.87 H new ATOM 0 HB2 GLU A 55 61.911 7.898 13.271 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.459 9.562 13.324 1.00 1.02 H new ATOM 0 HG2 GLU A 55 60.128 10.217 12.390 1.00 1.48 H new ATOM 0 HG3 GLU A 55 59.636 8.567 12.713 1.00 1.48 H new ATOM 852 N GLU A 56 63.961 7.316 10.991 1.00 0.88 N ATOM 853 CA GLU A 56 65.399 6.995 10.766 1.00 0.91 C ATOM 854 C GLU A 56 65.749 7.159 9.285 1.00 0.80 C ATOM 855 O GLU A 56 66.821 7.614 8.937 1.00 0.81 O ATOM 856 CB GLU A 56 65.552 5.534 11.193 1.00 1.00 C ATOM 857 CG GLU A 56 66.330 5.464 12.508 1.00 1.44 C ATOM 858 CD GLU A 56 66.462 4.004 12.947 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.447 3.143 12.083 1.00 1.79 O ATOM 860 OE2 GLU A 56 66.573 3.772 14.139 1.00 2.00 O ATOM 0 H GLU A 56 63.339 6.509 11.047 1.00 0.88 H new ATOM 0 HA GLU A 56 66.062 7.654 11.326 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.571 5.075 11.314 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.074 4.971 10.419 1.00 1.00 H new ATOM 0 HG2 GLU A 56 67.318 5.908 12.382 1.00 1.44 H new ATOM 0 HG3 GLU A 56 65.817 6.041 13.277 1.00 1.44 H new ATOM 867 N LEU A 57 64.852 6.794 8.411 1.00 0.75 N ATOM 868 CA LEU A 57 65.130 6.931 6.953 1.00 0.70 C ATOM 869 C LEU A 57 65.459 8.387 6.613 1.00 0.67 C ATOM 870 O LEU A 57 66.494 8.686 6.050 1.00 0.71 O ATOM 871 CB LEU A 57 63.837 6.500 6.260 1.00 0.69 C ATOM 872 CG LEU A 57 64.039 5.136 5.600 1.00 1.00 C ATOM 873 CD1 LEU A 57 64.146 4.057 6.680 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.846 4.829 4.693 1.00 1.41 C ATOM 0 H LEU A 57 63.938 6.406 8.643 1.00 0.75 H new ATOM 0 HA LEU A 57 65.982 6.329 6.637 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.024 6.448 6.984 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.550 7.239 5.511 1.00 0.69 H new ATOM 0 HG LEU A 57 64.954 5.151 5.008 1.00 1.00 H new ATOM 0 HD11 LEU A 57 64.290 3.084 6.210 1.00 1.51 H new ATOM 0 HD12 LEU A 57 64.994 4.275 7.329 1.00 1.51 H new ATOM 0 HD13 LEU A 57 63.230 4.042 7.271 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.988 3.857 4.221 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.932 4.814 5.287 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.767 5.597 3.924 1.00 1.41 H new ATOM 886 N GLN A 58 64.585 9.295 6.951 1.00 0.68 N ATOM 887 CA GLN A 58 64.844 10.732 6.649 1.00 0.72 C ATOM 888 C GLN A 58 66.225 11.141 7.168 1.00 0.71 C ATOM 889 O GLN A 58 67.008 11.751 6.465 1.00 0.79 O ATOM 890 CB GLN A 58 63.746 11.495 7.389 1.00 0.79 C ATOM 891 CG GLN A 58 62.767 12.093 6.375 1.00 1.09 C ATOM 892 CD GLN A 58 62.297 11.000 5.413 1.00 1.67 C ATOM 893 OE1 GLN A 58 61.506 10.153 5.778 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.751 10.985 4.190 1.00 2.20 N ATOM 0 H GLN A 58 63.702 9.104 7.424 1.00 0.68 H new ATOM 0 HA GLN A 58 64.834 10.938 5.579 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.218 10.826 8.069 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.185 12.286 7.997 1.00 0.79 H new ATOM 0 HG2 GLN A 58 61.912 12.529 6.892 1.00 1.09 H new ATOM 0 HG3 GLN A 58 63.248 12.898 5.820 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.415 11.696 3.884 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.442 10.262 3.540 1.00 2.20 H new ATOM 903 N GLU A 59 66.531 10.811 8.393 1.00 0.70 N ATOM 904 CA GLU A 59 67.862 11.182 8.954 1.00 0.72 C ATOM 905 C GLU A 59 68.980 10.567 8.108 1.00 0.73 C ATOM 906 O GLU A 59 69.991 11.191 7.851 1.00 0.75 O ATOM 907 CB GLU A 59 67.874 10.598 10.367 1.00 0.75 C ATOM 908 CG GLU A 59 68.069 11.725 11.383 1.00 1.37 C ATOM 909 CD GLU A 59 69.485 12.290 11.257 1.00 1.66 C ATOM 910 OE1 GLU A 59 69.781 12.867 10.222 1.00 2.02 O ATOM 911 OE2 GLU A 59 70.249 12.138 12.195 1.00 2.42 O ATOM 0 H GLU A 59 65.918 10.301 9.029 1.00 0.70 H new ATOM 0 HA GLU A 59 68.023 12.260 8.959 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.938 10.075 10.564 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.675 9.865 10.462 1.00 0.75 H new ATOM 0 HG2 GLU A 59 67.336 12.513 11.212 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.905 11.350 12.393 1.00 1.37 H new ATOM 918 N MET A 60 68.807 9.350 7.673 1.00 0.79 N ATOM 919 CA MET A 60 69.860 8.697 6.842 1.00 0.84 C ATOM 920 C MET A 60 69.866 9.296 5.434 1.00 0.82 C ATOM 921 O MET A 60 70.860 9.824 4.977 1.00 0.96 O ATOM 922 CB MET A 60 69.471 7.219 6.796 1.00 0.93 C ATOM 923 CG MET A 60 69.463 6.648 8.215 1.00 1.27 C ATOM 924 SD MET A 60 70.837 5.485 8.406 1.00 1.65 S ATOM 925 CE MET A 60 70.183 4.182 7.333 1.00 0.97 C ATOM 0 H MET A 60 67.982 8.778 7.856 1.00 0.79 H new ATOM 0 HA MET A 60 70.859 8.841 7.253 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.487 7.105 6.341 1.00 0.93 H new ATOM 0 HB3 MET A 60 70.175 6.666 6.174 1.00 0.93 H new ATOM 0 HG2 MET A 60 69.551 7.454 8.943 1.00 1.27 H new ATOM 0 HG3 MET A 60 68.516 6.144 8.410 1.00 1.27 H new ATOM 0 HE1 MET A 60 70.008 3.281 7.920 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.244 4.513 6.889 1.00 0.97 H new ATOM 0 HE3 MET A 60 70.902 3.966 6.543 1.00 0.97 H new ATOM 935 N ILE A 61 68.762 9.219 4.741 1.00 0.76 N ATOM 936 CA ILE A 61 68.705 9.784 3.362 1.00 0.78 C ATOM 937 C ILE A 61 69.391 11.152 3.324 1.00 0.77 C ATOM 938 O ILE A 61 69.983 11.532 2.334 1.00 0.82 O ATOM 939 CB ILE A 61 67.215 9.924 3.053 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.574 8.536 2.995 1.00 0.90 C ATOM 941 CG2 ILE A 61 67.035 10.624 1.705 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.078 8.653 3.295 1.00 0.98 C ATOM 0 H ILE A 61 67.897 8.789 5.070 1.00 0.76 H new ATOM 0 HA ILE A 61 69.214 9.152 2.635 1.00 0.78 H new ATOM 0 HB ILE A 61 66.737 10.514 3.835 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.725 8.095 2.010 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.050 7.873 3.718 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.972 10.723 1.486 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.491 11.613 1.745 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.513 10.035 0.922 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.620 7.665 3.254 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.938 9.076 4.290 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.608 9.301 2.555 1.00 0.98 H new ATOM 954 N ASP A 62 69.314 11.895 4.393 1.00 0.82 N ATOM 955 CA ASP A 62 69.962 13.238 4.415 1.00 0.90 C ATOM 956 C ASP A 62 71.447 13.116 4.057 1.00 0.85 C ATOM 957 O ASP A 62 71.881 13.555 3.011 1.00 0.91 O ATOM 958 CB ASP A 62 69.795 13.734 5.851 1.00 1.03 C ATOM 959 CG ASP A 62 68.784 14.883 5.881 1.00 1.58 C ATOM 960 OD1 ASP A 62 67.981 14.963 4.965 1.00 2.06 O ATOM 961 OD2 ASP A 62 68.831 15.664 6.817 1.00 2.24 O ATOM 0 H ASP A 62 68.831 11.631 5.252 1.00 0.82 H new ATOM 0 HA ASP A 62 69.518 13.923 3.693 1.00 0.90 H new ATOM 0 HB2 ASP A 62 69.455 12.920 6.491 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.754 14.069 6.245 1.00 1.03 H new ATOM 966 N GLU A 63 72.227 12.526 4.920 1.00 0.84 N ATOM 967 CA GLU A 63 73.683 12.378 4.631 1.00 0.91 C ATOM 968 C GLU A 63 73.898 11.448 3.435 1.00 1.01 C ATOM 969 O GLU A 63 74.941 11.455 2.812 1.00 1.32 O ATOM 970 CB GLU A 63 74.275 11.764 5.901 1.00 0.99 C ATOM 971 CG GLU A 63 73.872 10.291 5.994 1.00 1.35 C ATOM 972 CD GLU A 63 73.673 9.907 7.460 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.154 10.725 8.202 1.00 2.14 O ATOM 974 OE2 GLU A 63 74.043 8.801 7.819 1.00 2.00 O ATOM 0 H GLU A 63 71.920 12.140 5.813 1.00 0.84 H new ATOM 0 HA GLU A 63 74.152 13.329 4.378 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.361 11.854 5.889 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.920 12.305 6.778 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.953 10.119 5.434 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.642 9.664 5.544 1.00 1.35 H new ATOM 981 N VAL A 64 72.921 10.648 3.109 1.00 0.92 N ATOM 982 CA VAL A 64 73.074 9.717 1.954 1.00 1.07 C ATOM 983 C VAL A 64 72.741 10.439 0.646 1.00 1.13 C ATOM 984 O VAL A 64 73.488 10.390 -0.311 1.00 1.54 O ATOM 985 CB VAL A 64 72.072 8.593 2.218 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.976 7.693 0.986 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.542 7.766 3.418 1.00 1.42 C ATOM 0 H VAL A 64 72.024 10.598 3.591 1.00 0.92 H new ATOM 0 HA VAL A 64 74.092 9.340 1.857 1.00 1.07 H new ATOM 0 HB VAL A 64 71.092 9.022 2.430 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.261 6.892 1.175 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.644 8.281 0.131 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.955 7.263 0.772 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.829 6.964 3.609 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.521 7.338 3.204 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.610 8.407 4.297 1.00 1.42 H new ATOM 997 N ASP A 65 71.624 11.111 0.597 1.00 1.00 N ATOM 998 CA ASP A 65 71.244 11.838 -0.647 1.00 1.14 C ATOM 999 C ASP A 65 71.472 13.342 -0.468 1.00 1.45 C ATOM 1000 O ASP A 65 70.583 14.144 -0.675 1.00 1.74 O ATOM 1001 CB ASP A 65 69.758 11.538 -0.844 1.00 1.21 C ATOM 1002 CG ASP A 65 69.598 10.192 -1.551 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.461 9.346 -1.377 1.00 2.63 O ATOM 1004 OD2 ASP A 65 68.616 10.028 -2.256 1.00 2.83 O ATOM 0 H ASP A 65 70.957 11.188 1.365 1.00 1.00 H new ATOM 0 HA ASP A 65 71.838 11.527 -1.507 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.250 11.517 0.120 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.292 12.328 -1.433 1.00 1.21 H new ATOM 1009 N GLU A 66 72.658 13.727 -0.084 1.00 1.86 N ATOM 1010 CA GLU A 66 72.947 15.177 0.109 1.00 2.47 C ATOM 1011 C GLU A 66 72.999 15.890 -1.244 1.00 2.75 C ATOM 1012 O GLU A 66 73.985 16.509 -1.593 1.00 3.27 O ATOM 1013 CB GLU A 66 74.314 15.219 0.793 1.00 3.01 C ATOM 1014 CG GLU A 66 74.567 16.625 1.343 1.00 3.52 C ATOM 1015 CD GLU A 66 75.871 17.175 0.762 1.00 4.01 C ATOM 1016 OE1 GLU A 66 76.919 16.836 1.286 1.00 4.34 O ATOM 1017 OE2 GLU A 66 75.798 17.925 -0.198 1.00 4.48 O ATOM 0 H GLU A 66 73.440 13.100 0.105 1.00 1.86 H new ATOM 0 HA GLU A 66 72.180 15.677 0.700 1.00 2.47 H new ATOM 0 HB2 GLU A 66 74.351 14.489 1.601 1.00 3.01 H new ATOM 0 HB3 GLU A 66 75.096 14.948 0.083 1.00 3.01 H new ATOM 0 HG2 GLU A 66 73.736 17.282 1.086 1.00 3.52 H new ATOM 0 HG3 GLU A 66 74.625 16.596 2.431 1.00 3.52 H new ATOM 1024 N ASP A 67 71.946 15.808 -2.009 1.00 2.74 N ATOM 1025 CA ASP A 67 71.934 16.481 -3.339 1.00 3.19 C ATOM 1026 C ASP A 67 70.534 17.021 -3.647 1.00 2.83 C ATOM 1027 O ASP A 67 70.192 17.271 -4.786 1.00 3.27 O ATOM 1028 CB ASP A 67 72.321 15.390 -4.338 1.00 4.15 C ATOM 1029 CG ASP A 67 73.740 14.902 -4.035 1.00 4.87 C ATOM 1030 OD1 ASP A 67 74.659 15.690 -4.180 1.00 5.28 O ATOM 1031 OD2 ASP A 67 73.882 13.750 -3.661 1.00 5.31 O ATOM 0 H ASP A 67 71.092 15.304 -1.771 1.00 2.74 H new ATOM 0 HA ASP A 67 72.616 17.330 -3.379 1.00 3.19 H new ATOM 0 HB2 ASP A 67 71.618 14.559 -4.276 1.00 4.15 H new ATOM 0 HB3 ASP A 67 72.268 15.778 -5.355 1.00 4.15 H new ATOM 1036 N GLY A 68 69.724 17.202 -2.641 1.00 2.35 N ATOM 1037 CA GLY A 68 68.349 17.726 -2.875 1.00 2.67 C ATOM 1038 C GLY A 68 67.631 16.846 -3.900 1.00 2.07 C ATOM 1039 O GLY A 68 67.548 17.176 -5.066 1.00 2.77 O ATOM 0 H GLY A 68 69.955 17.010 -1.666 1.00 2.35 H new ATOM 0 HA2 GLY A 68 67.791 17.741 -1.939 1.00 2.67 H new ATOM 0 HA3 GLY A 68 68.397 18.754 -3.234 1.00 2.67 H new ATOM 1043 N SER A 69 67.112 15.727 -3.475 1.00 1.42 N ATOM 1044 CA SER A 69 66.399 14.825 -4.425 1.00 1.79 C ATOM 1045 C SER A 69 65.289 14.063 -3.695 1.00 1.42 C ATOM 1046 O SER A 69 64.119 14.347 -3.856 1.00 1.97 O ATOM 1047 CB SER A 69 67.470 13.861 -4.934 1.00 2.79 C ATOM 1048 OG SER A 69 66.847 12.811 -5.663 1.00 3.72 O ATOM 0 H SER A 69 67.151 15.398 -2.510 1.00 1.42 H new ATOM 0 HA SER A 69 65.925 15.372 -5.240 1.00 1.79 H new ATOM 0 HB2 SER A 69 68.179 14.390 -5.570 1.00 2.79 H new ATOM 0 HB3 SER A 69 68.036 13.452 -4.097 1.00 2.79 H new ATOM 0 HG SER A 69 67.531 12.191 -5.992 1.00 3.72 H new ATOM 1054 N GLY A 70 65.648 13.100 -2.892 1.00 1.01 N ATOM 1055 CA GLY A 70 64.612 12.324 -2.151 1.00 1.07 C ATOM 1056 C GLY A 70 64.344 11.004 -2.874 1.00 0.84 C ATOM 1057 O GLY A 70 63.289 10.416 -2.741 1.00 0.87 O ATOM 0 H GLY A 70 66.612 12.817 -2.716 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.948 12.130 -1.132 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.692 12.904 -2.078 1.00 1.07 H new ATOM 1061 N THR A 71 65.291 10.531 -3.639 1.00 0.70 N ATOM 1062 CA THR A 71 65.086 9.247 -4.368 1.00 0.55 C ATOM 1063 C THR A 71 66.357 8.395 -4.311 1.00 0.54 C ATOM 1064 O THR A 71 67.455 8.887 -4.480 1.00 0.72 O ATOM 1065 CB THR A 71 64.779 9.654 -5.811 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.851 10.437 -6.319 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.485 10.469 -5.851 1.00 0.81 C ATOM 0 H THR A 71 66.196 10.977 -3.790 1.00 0.70 H new ATOM 0 HA THR A 71 64.284 8.650 -3.933 1.00 0.55 H new ATOM 0 HB THR A 71 64.660 8.760 -6.423 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.846 11.317 -5.888 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.268 10.758 -6.880 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.664 9.867 -5.463 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.600 11.364 -5.239 1.00 0.81 H new ATOM 1075 N VAL A 72 66.216 7.119 -4.076 1.00 0.52 N ATOM 1076 CA VAL A 72 67.418 6.236 -4.012 1.00 0.65 C ATOM 1077 C VAL A 72 67.487 5.330 -5.239 1.00 0.56 C ATOM 1078 O VAL A 72 66.481 4.956 -5.810 1.00 0.57 O ATOM 1079 CB VAL A 72 67.259 5.383 -2.748 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.750 6.171 -1.539 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.789 4.998 -2.546 1.00 1.23 C ATOM 0 H VAL A 72 65.323 6.649 -3.926 1.00 0.52 H new ATOM 0 HA VAL A 72 68.333 6.828 -3.989 1.00 0.65 H new ATOM 0 HB VAL A 72 67.849 4.473 -2.859 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.637 5.565 -0.640 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.801 6.428 -1.674 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.164 7.084 -1.437 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.692 4.393 -1.645 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.187 5.901 -2.443 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.441 4.426 -3.406 1.00 1.23 H new ATOM 1091 N ASP A 73 68.671 4.960 -5.635 1.00 0.64 N ATOM 1092 CA ASP A 73 68.821 4.062 -6.810 1.00 0.70 C ATOM 1093 C ASP A 73 69.269 2.682 -6.330 1.00 0.70 C ATOM 1094 O ASP A 73 69.561 2.487 -5.167 1.00 0.71 O ATOM 1095 CB ASP A 73 69.903 4.711 -7.673 1.00 0.85 C ATOM 1096 CG ASP A 73 69.471 6.128 -8.052 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.588 6.653 -7.393 1.00 1.91 O ATOM 1098 OD2 ASP A 73 70.028 6.665 -8.995 1.00 1.72 O ATOM 0 H ASP A 73 69.545 5.243 -5.193 1.00 0.64 H new ATOM 0 HA ASP A 73 67.893 3.932 -7.367 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.847 4.740 -7.130 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.071 4.118 -8.572 1.00 0.85 H new ATOM 1103 N PHE A 74 69.324 1.720 -7.205 1.00 0.81 N ATOM 1104 CA PHE A 74 69.753 0.360 -6.775 1.00 0.87 C ATOM 1105 C PHE A 74 71.098 0.438 -6.046 1.00 0.76 C ATOM 1106 O PHE A 74 71.472 -0.460 -5.317 1.00 0.74 O ATOM 1107 CB PHE A 74 69.884 -0.443 -8.068 1.00 1.04 C ATOM 1108 CG PHE A 74 69.872 -1.918 -7.747 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.850 -2.452 -6.953 1.00 2.16 C ATOM 1110 CD2 PHE A 74 70.883 -2.750 -8.240 1.00 2.11 C ATOM 1111 CE1 PHE A 74 68.838 -3.819 -6.654 1.00 3.14 C ATOM 1112 CE2 PHE A 74 70.871 -4.118 -7.942 1.00 3.02 C ATOM 1113 CZ PHE A 74 69.849 -4.652 -7.148 1.00 3.42 C ATOM 0 H PHE A 74 69.092 1.814 -8.194 1.00 0.81 H new ATOM 0 HA PHE A 74 69.045 -0.099 -6.085 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.064 -0.200 -8.744 1.00 1.04 H new ATOM 0 HB3 PHE A 74 70.809 -0.179 -8.581 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.071 -1.809 -6.571 1.00 2.16 H new ATOM 0 HD2 PHE A 74 71.673 -2.337 -8.850 1.00 2.11 H new ATOM 0 HE1 PHE A 74 68.049 -4.231 -6.042 1.00 3.14 H new ATOM 0 HE2 PHE A 74 71.650 -4.761 -8.324 1.00 3.02 H new ATOM 0 HZ PHE A 74 69.841 -5.707 -6.917 1.00 3.42 H new ATOM 1123 N ASP A 75 71.826 1.505 -6.234 1.00 0.79 N ATOM 1124 CA ASP A 75 73.143 1.638 -5.550 1.00 0.78 C ATOM 1125 C ASP A 75 72.946 2.113 -4.108 1.00 0.71 C ATOM 1126 O ASP A 75 73.666 1.719 -3.212 1.00 0.67 O ATOM 1127 CB ASP A 75 73.908 2.686 -6.360 1.00 0.96 C ATOM 1128 CG ASP A 75 75.395 2.330 -6.381 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.824 1.608 -5.495 1.00 1.99 O ATOM 1130 OD2 ASP A 75 76.081 2.785 -7.282 1.00 2.18 O ATOM 0 H ASP A 75 71.566 2.290 -6.831 1.00 0.79 H new ATOM 0 HA ASP A 75 73.679 0.690 -5.501 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.519 2.729 -7.377 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.766 3.674 -5.922 1.00 0.96 H new ATOM 1135 N GLU A 76 71.975 2.956 -3.874 1.00 0.74 N ATOM 1136 CA GLU A 76 71.738 3.450 -2.487 1.00 0.72 C ATOM 1137 C GLU A 76 70.806 2.493 -1.739 1.00 0.61 C ATOM 1138 O GLU A 76 71.134 1.991 -0.683 1.00 0.60 O ATOM 1139 CB GLU A 76 71.078 4.817 -2.660 1.00 0.82 C ATOM 1140 CG GLU A 76 71.981 5.717 -3.506 1.00 0.96 C ATOM 1141 CD GLU A 76 73.176 6.173 -2.666 1.00 1.36 C ATOM 1142 OE1 GLU A 76 73.040 7.161 -1.966 1.00 2.14 O ATOM 1143 OE2 GLU A 76 74.208 5.525 -2.739 1.00 2.01 O ATOM 0 H GLU A 76 71.338 3.323 -4.581 1.00 0.74 H new ATOM 0 HA GLU A 76 72.659 3.514 -1.908 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.106 4.705 -3.140 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.902 5.273 -1.686 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.327 5.178 -4.388 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.421 6.582 -3.861 1.00 0.96 H new ATOM 1150 N PHE A 77 69.646 2.236 -2.279 1.00 0.60 N ATOM 1151 CA PHE A 77 68.698 1.311 -1.597 1.00 0.54 C ATOM 1152 C PHE A 77 69.424 0.035 -1.162 1.00 0.48 C ATOM 1153 O PHE A 77 68.995 -0.658 -0.260 1.00 0.55 O ATOM 1154 CB PHE A 77 67.634 0.989 -2.645 1.00 0.61 C ATOM 1155 CG PHE A 77 66.715 -0.083 -2.113 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.020 0.124 -0.915 1.00 1.52 C ATOM 1157 CD2 PHE A 77 66.559 -1.284 -2.815 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.169 -0.872 -0.419 1.00 1.78 C ATOM 1159 CE2 PHE A 77 65.708 -2.279 -2.318 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.013 -2.072 -1.121 1.00 1.25 C ATOM 0 H PHE A 77 69.314 2.626 -3.161 1.00 0.60 H new ATOM 0 HA PHE A 77 68.266 1.753 -0.699 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.063 1.885 -2.887 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.107 0.653 -3.568 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.140 1.051 -0.374 1.00 1.52 H new ATOM 0 HD2 PHE A 77 67.095 -1.443 -3.739 1.00 1.30 H new ATOM 0 HE1 PHE A 77 64.633 -0.714 0.505 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.588 -3.206 -2.859 1.00 1.38 H new ATOM 0 HZ PHE A 77 64.356 -2.839 -0.739 1.00 1.25 H new ATOM 1170 N LEU A 78 70.522 -0.281 -1.792 1.00 0.46 N ATOM 1171 CA LEU A 78 71.274 -1.507 -1.414 1.00 0.49 C ATOM 1172 C LEU A 78 72.190 -1.203 -0.221 1.00 0.48 C ATOM 1173 O LEU A 78 72.319 -1.995 0.693 1.00 0.54 O ATOM 1174 CB LEU A 78 72.077 -1.866 -2.672 1.00 0.56 C ATOM 1175 CG LEU A 78 73.386 -2.557 -2.288 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.080 -3.863 -1.551 1.00 1.70 C ATOM 1177 CD2 LEU A 78 74.193 -2.860 -3.553 1.00 0.70 C ATOM 0 H LEU A 78 70.931 0.260 -2.554 1.00 0.46 H new ATOM 0 HA LEU A 78 70.632 -2.331 -1.104 1.00 0.49 H new ATOM 0 HB2 LEU A 78 71.487 -2.521 -3.314 1.00 0.56 H new ATOM 0 HB3 LEU A 78 72.289 -0.964 -3.246 1.00 0.56 H new ATOM 0 HG LEU A 78 73.964 -1.902 -1.636 1.00 0.78 H new ATOM 0 HD11 LEU A 78 74.014 -4.354 -1.278 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.507 -3.646 -0.649 1.00 1.70 H new ATOM 0 HD13 LEU A 78 72.501 -4.520 -2.200 1.00 1.70 H new ATOM 0 HD21 LEU A 78 75.126 -3.353 -3.280 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.615 -3.514 -4.205 1.00 0.70 H new ATOM 0 HD23 LEU A 78 74.413 -1.929 -4.076 1.00 0.70 H new ATOM 1189 N VAL A 79 72.824 -0.063 -0.224 1.00 0.46 N ATOM 1190 CA VAL A 79 73.727 0.291 0.907 1.00 0.51 C ATOM 1191 C VAL A 79 72.904 0.708 2.129 1.00 0.53 C ATOM 1192 O VAL A 79 73.128 0.242 3.229 1.00 0.64 O ATOM 1193 CB VAL A 79 74.559 1.466 0.396 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.456 1.986 1.521 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.428 1.000 -0.775 1.00 0.62 C ATOM 0 H VAL A 79 72.756 0.639 -0.961 1.00 0.46 H new ATOM 0 HA VAL A 79 74.352 -0.547 1.215 1.00 0.51 H new ATOM 0 HB VAL A 79 73.896 2.265 0.064 1.00 0.54 H new ATOM 0 HG11 VAL A 79 76.049 2.824 1.155 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.838 2.316 2.356 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.121 1.189 1.854 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.023 1.836 -1.142 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.091 0.202 -0.441 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.790 0.629 -1.577 1.00 0.62 H new ATOM 1205 N MET A 80 71.951 1.581 1.944 1.00 0.52 N ATOM 1206 CA MET A 80 71.114 2.024 3.096 1.00 0.60 C ATOM 1207 C MET A 80 70.512 0.810 3.808 1.00 0.62 C ATOM 1208 O MET A 80 70.153 0.872 4.967 1.00 0.71 O ATOM 1209 CB MET A 80 70.011 2.885 2.478 1.00 0.66 C ATOM 1210 CG MET A 80 70.588 4.242 2.070 1.00 1.11 C ATOM 1211 SD MET A 80 69.637 5.563 2.859 1.00 1.23 S ATOM 1212 CE MET A 80 68.511 5.886 1.481 1.00 0.86 C ATOM 0 H MET A 80 71.716 2.006 1.047 1.00 0.52 H new ATOM 0 HA MET A 80 71.691 2.574 3.839 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.587 2.382 1.609 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.200 3.023 3.193 1.00 0.66 H new ATOM 0 HG2 MET A 80 71.635 4.307 2.365 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.554 4.353 0.986 1.00 1.11 H new ATOM 0 HE1 MET A 80 68.851 6.764 0.931 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.495 5.024 0.814 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.507 6.065 1.866 1.00 0.86 H new ATOM 1222 N MET A 81 70.400 -0.295 3.122 1.00 0.61 N ATOM 1223 CA MET A 81 69.823 -1.512 3.760 1.00 0.72 C ATOM 1224 C MET A 81 70.829 -2.122 4.742 1.00 0.79 C ATOM 1225 O MET A 81 70.464 -2.622 5.787 1.00 0.91 O ATOM 1226 CB MET A 81 69.552 -2.474 2.603 1.00 0.75 C ATOM 1227 CG MET A 81 68.056 -2.790 2.542 1.00 1.01 C ATOM 1228 SD MET A 81 67.575 -3.720 4.019 1.00 1.71 S ATOM 1229 CE MET A 81 66.760 -5.093 3.168 1.00 1.66 C ATOM 0 H MET A 81 70.683 -0.407 2.148 1.00 0.61 H new ATOM 0 HA MET A 81 68.919 -1.292 4.328 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.879 -2.030 1.663 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.123 -3.392 2.738 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.481 -1.866 2.477 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.832 -3.369 1.646 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.742 -5.200 3.542 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.734 -4.893 2.097 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.312 -6.014 3.352 1.00 1.66 H new ATOM 1239 N VAL A 82 72.092 -2.082 4.414 1.00 0.78 N ATOM 1240 CA VAL A 82 73.118 -2.659 5.330 1.00 0.90 C ATOM 1241 C VAL A 82 73.385 -1.701 6.494 1.00 0.94 C ATOM 1242 O VAL A 82 74.150 -1.996 7.391 1.00 1.13 O ATOM 1243 CB VAL A 82 74.373 -2.820 4.471 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.033 -3.617 3.210 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.899 -1.439 4.073 1.00 1.38 C ATOM 0 H VAL A 82 72.458 -1.676 3.553 1.00 0.78 H new ATOM 0 HA VAL A 82 72.797 -3.606 5.764 1.00 0.90 H new ATOM 0 HB VAL A 82 75.136 -3.351 5.041 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.928 -3.731 2.599 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.658 -4.601 3.492 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.270 -3.088 2.640 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.794 -1.553 3.461 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.135 -0.909 3.504 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.143 -0.870 4.970 1.00 1.38 H new ATOM 1255 N ARG A 83 72.762 -0.555 6.485 1.00 0.84 N ATOM 1256 CA ARG A 83 72.983 0.421 7.590 1.00 0.93 C ATOM 1257 C ARG A 83 72.066 0.100 8.773 1.00 0.93 C ATOM 1258 O ARG A 83 72.518 -0.114 9.880 1.00 1.23 O ATOM 1259 CB ARG A 83 72.629 1.783 6.989 1.00 0.95 C ATOM 1260 CG ARG A 83 73.506 2.865 7.623 1.00 1.53 C ATOM 1261 CD ARG A 83 74.686 3.174 6.699 1.00 1.50 C ATOM 1262 NE ARG A 83 75.770 2.249 7.136 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.352 2.426 8.290 1.00 2.02 C ATOM 1264 NH1 ARG A 83 77.226 3.383 8.441 1.00 2.44 N ATOM 1265 NH2 ARG A 83 76.063 1.644 9.293 1.00 2.58 N ATOM 0 H ARG A 83 72.110 -0.252 5.761 1.00 0.84 H new ATOM 0 HA ARG A 83 74.005 0.394 7.967 1.00 0.93 H new ATOM 0 HB2 ARG A 83 72.778 1.766 5.909 1.00 0.95 H new ATOM 0 HB3 ARG A 83 71.576 2.006 7.162 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.920 3.768 7.796 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.869 2.530 8.595 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.423 3.008 5.654 1.00 1.50 H new ATOM 0 HD3 ARG A 83 74.996 4.215 6.789 1.00 1.50 H new ATOM 0 HE ARG A 83 76.057 1.478 6.533 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.455 3.993 7.656 1.00 2.44 H new ATOM 0 HH12 ARG A 83 77.681 3.521 9.344 1.00 2.44 H new ATOM 0 HH21 ARG A 83 75.382 0.894 9.175 1.00 2.58 H new ATOM 0 HH22 ARG A 83 76.518 1.782 10.195 1.00 2.58 H new ATOM 1279 N CYS A 84 70.782 0.064 8.548 1.00 0.81 N ATOM 1280 CA CYS A 84 69.838 -0.243 9.661 1.00 0.94 C ATOM 1281 C CYS A 84 70.228 -1.560 10.338 1.00 1.01 C ATOM 1282 O CYS A 84 69.838 -1.835 11.455 1.00 1.67 O ATOM 1283 CB CYS A 84 68.466 -0.368 8.997 1.00 1.20 C ATOM 1284 SG CYS A 84 67.707 1.270 8.869 1.00 1.56 S ATOM 0 H CYS A 84 70.345 0.234 7.642 1.00 0.81 H new ATOM 0 HA CYS A 84 69.848 0.526 10.433 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.568 -0.812 8.007 1.00 1.20 H new ATOM 0 HB3 CYS A 84 67.827 -1.032 9.579 1.00 1.20 H new ATOM 0 HG CYS A 84 66.542 1.165 8.303 1.00 1.56 H new ATOM 1290 N MET A 85 70.997 -2.377 9.670 1.00 1.25 N ATOM 1291 CA MET A 85 71.411 -3.675 10.277 1.00 1.43 C ATOM 1292 C MET A 85 72.937 -3.804 10.256 1.00 1.78 C ATOM 1293 O MET A 85 73.479 -4.801 9.822 1.00 2.66 O ATOM 1294 CB MET A 85 70.768 -4.745 9.394 1.00 1.49 C ATOM 1295 CG MET A 85 71.459 -4.763 8.029 1.00 1.71 C ATOM 1296 SD MET A 85 72.137 -6.413 7.716 1.00 1.93 S ATOM 1297 CE MET A 85 72.082 -6.342 5.908 1.00 1.59 C ATOM 0 H MET A 85 71.356 -2.202 8.731 1.00 1.25 H new ATOM 0 HA MET A 85 71.100 -3.765 11.318 1.00 1.43 H new ATOM 0 HB2 MET A 85 70.852 -5.722 9.869 1.00 1.49 H new ATOM 0 HB3 MET A 85 69.704 -4.540 9.272 1.00 1.49 H new ATOM 0 HG2 MET A 85 70.749 -4.496 7.247 1.00 1.71 H new ATOM 0 HG3 MET A 85 72.256 -4.020 8.003 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.918 -7.343 5.509 1.00 1.59 H new ATOM 0 HE2 MET A 85 71.268 -5.688 5.594 1.00 1.59 H new ATOM 0 HE3 MET A 85 73.027 -5.952 5.530 1.00 1.59 H new ATOM 1307 N LYS A 86 73.632 -2.804 10.724 1.00 1.64 N ATOM 1308 CA LYS A 86 75.122 -2.868 10.733 1.00 2.09 C ATOM 1309 C LYS A 86 75.640 -2.902 12.175 1.00 1.80 C ATOM 1310 O LYS A 86 76.523 -2.154 12.545 1.00 2.13 O ATOM 1311 CB LYS A 86 75.577 -1.590 10.029 1.00 2.91 C ATOM 1312 CG LYS A 86 76.633 -1.935 8.976 1.00 3.84 C ATOM 1313 CD LYS A 86 77.808 -0.962 9.091 1.00 4.67 C ATOM 1314 CE LYS A 86 79.094 -1.659 8.643 1.00 5.16 C ATOM 1315 NZ LYS A 86 80.085 -1.359 9.714 1.00 6.26 N ATOM 0 H LYS A 86 73.233 -1.944 11.101 1.00 1.64 H new ATOM 0 HA LYS A 86 75.501 -3.762 10.238 1.00 2.09 H new ATOM 0 HB2 LYS A 86 74.726 -1.099 9.558 1.00 2.91 H new ATOM 0 HB3 LYS A 86 75.988 -0.889 10.755 1.00 2.91 H new ATOM 0 HG2 LYS A 86 76.980 -2.959 9.116 1.00 3.84 H new ATOM 0 HG3 LYS A 86 76.198 -1.880 7.978 1.00 3.84 H new ATOM 0 HD2 LYS A 86 77.626 -0.081 8.475 1.00 4.67 H new ATOM 0 HD3 LYS A 86 77.909 -0.617 10.120 1.00 4.67 H new ATOM 0 HE2 LYS A 86 78.944 -2.733 8.533 1.00 5.16 H new ATOM 0 HE3 LYS A 86 79.431 -1.284 7.677 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 80.995 -1.804 9.479 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 80.212 -0.330 9.791 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 79.740 -1.734 10.621 1.00 6.26 H new ATOM 1329 N ASP A 87 75.096 -3.763 12.991 1.00 2.28 N ATOM 1330 CA ASP A 87 75.556 -3.842 14.406 1.00 2.97 C ATOM 1331 C ASP A 87 76.555 -4.992 14.576 1.00 3.59 C ATOM 1332 O ASP A 87 76.756 -5.788 13.680 1.00 4.32 O ATOM 1333 CB ASP A 87 74.289 -4.108 15.219 1.00 3.76 C ATOM 1334 CG ASP A 87 73.309 -2.949 15.029 1.00 4.49 C ATOM 1335 OD1 ASP A 87 73.663 -2.005 14.342 1.00 4.78 O ATOM 1336 OD2 ASP A 87 72.219 -3.025 15.573 1.00 5.14 O ATOM 0 H ASP A 87 74.353 -4.415 12.739 1.00 2.28 H new ATOM 0 HA ASP A 87 76.063 -2.932 14.727 1.00 2.97 H new ATOM 0 HB2 ASP A 87 73.829 -5.043 14.900 1.00 3.76 H new ATOM 0 HB3 ASP A 87 74.538 -4.219 16.274 1.00 3.76 H new ATOM 1341 N ASP A 88 77.182 -5.083 15.717 1.00 3.80 N ATOM 1342 CA ASP A 88 78.166 -6.182 15.941 1.00 4.81 C ATOM 1343 C ASP A 88 77.510 -7.541 15.684 1.00 5.29 C ATOM 1344 O ASP A 88 77.644 -8.115 14.621 1.00 5.56 O ATOM 1345 CB ASP A 88 78.575 -6.055 17.409 1.00 5.52 C ATOM 1346 CG ASP A 88 79.596 -4.925 17.560 1.00 6.22 C ATOM 1347 OD1 ASP A 88 79.982 -4.362 16.548 1.00 6.55 O ATOM 1348 OD2 ASP A 88 79.976 -4.642 18.684 1.00 6.70 O ATOM 0 H ASP A 88 77.056 -4.445 16.503 1.00 3.80 H new ATOM 0 HA ASP A 88 79.023 -6.111 15.271 1.00 4.81 H new ATOM 0 HB2 ASP A 88 77.699 -5.852 18.025 1.00 5.52 H new ATOM 0 HB3 ASP A 88 79.002 -6.994 17.761 1.00 5.52 H new ATOM 1353 N SER A 89 76.799 -8.059 16.648 1.00 5.81 N ATOM 1354 CA SER A 89 76.136 -9.382 16.459 1.00 6.66 C ATOM 1355 C SER A 89 77.160 -10.428 16.013 1.00 7.11 C ATOM 1356 O SER A 89 78.323 -10.076 15.896 1.00 7.53 O ATOM 1357 CB SER A 89 75.095 -9.150 15.364 1.00 7.31 C ATOM 1358 OG SER A 89 74.101 -8.255 15.844 1.00 7.59 O ATOM 1359 OXT SER A 89 76.764 -11.560 15.793 1.00 7.31 O ATOM 0 H SER A 89 76.648 -7.624 17.558 1.00 5.81 H new ATOM 0 HA SER A 89 75.684 -9.753 17.379 1.00 6.66 H new ATOM 0 HB2 SER A 89 75.572 -8.739 14.474 1.00 7.31 H new ATOM 0 HB3 SER A 89 74.639 -10.096 15.073 1.00 7.31 H new ATOM 0 HG SER A 89 73.433 -8.102 15.144 1.00 7.59 H new TER 1365 SER A 89