USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot 127:sc= 0.0859 USER MOD Set 1.2: A 71 THR OG1 : rot -160:sc= -0.172 USER MOD Set 2.1: A 45 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 MET CE :methyl -172:sc= -1.66 (180deg=-2.3) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 16 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.661 (180deg=-1.06) USER MOD Single : A 18 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -5.11! USER MOD Single : A 38 THR OG1 : rot 180:sc= -5.65! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= -0.0261 (180deg=-0.283) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.911 (180deg=-2.92!) USER MOD Single : A 50 GLN : amide:sc= -2.36! C(o=-2.4!,f=-8.1!) USER MOD Single : A 51 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.3!) USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.998 USER MOD Single : A 58 GLN : amide:sc= -3.4! C(o=-3.4!,f=-4.6!) USER MOD Single : A 60 MET CE :methyl -169:sc= -0.0378 (180deg=-0.263) USER MOD Single : A 69 SER OG : rot -157:sc= -1.32 USER MOD Single : A 80 MET CE :methyl -149:sc= -0.156 (180deg=-0.746) USER MOD Single : A 84 CYS SG : rot -150:sc= 0 USER MOD Single : A 85 MET CE :methyl -162:sc= -0.0159 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 78.737 -4.164 8.850 1.00 1.29 N ATOM 64 CA TYR A 5 77.844 -3.620 7.786 1.00 1.15 C ATOM 65 C TYR A 5 78.428 -2.332 7.197 1.00 1.04 C ATOM 66 O TYR A 5 78.642 -2.225 6.007 1.00 1.02 O ATOM 67 CB TYR A 5 76.519 -3.335 8.493 1.00 1.16 C ATOM 68 CG TYR A 5 75.731 -4.616 8.620 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.000 -5.503 9.670 1.00 1.97 C ATOM 70 CD2 TYR A 5 74.733 -4.920 7.686 1.00 1.89 C ATOM 71 CE1 TYR A 5 75.271 -6.692 9.786 1.00 2.21 C ATOM 72 CE2 TYR A 5 74.003 -6.109 7.803 1.00 2.12 C ATOM 73 CZ TYR A 5 74.273 -6.996 8.852 1.00 1.97 C ATOM 74 OH TYR A 5 73.554 -8.168 8.966 1.00 2.28 O ATOM 0 HA TYR A 5 77.725 -4.316 6.955 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.705 -2.910 9.480 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.946 -2.597 7.931 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.770 -5.269 10.390 1.00 1.97 H new ATOM 0 HD2 TYR A 5 74.526 -4.237 6.875 1.00 1.89 H new ATOM 0 HE1 TYR A 5 75.478 -7.375 10.596 1.00 2.21 H new ATOM 0 HE2 TYR A 5 73.232 -6.342 7.084 1.00 2.12 H new ATOM 0 HH TYR A 5 72.901 -8.223 8.238 1.00 2.28 H new ATOM 84 N LYS A 6 78.684 -1.353 8.021 1.00 1.08 N ATOM 85 CA LYS A 6 79.250 -0.071 7.507 1.00 1.15 C ATOM 86 C LYS A 6 80.339 -0.347 6.465 1.00 1.34 C ATOM 87 O LYS A 6 80.451 0.345 5.474 1.00 1.48 O ATOM 88 CB LYS A 6 79.845 0.618 8.734 1.00 1.28 C ATOM 89 CG LYS A 6 79.090 1.920 9.006 1.00 1.93 C ATOM 90 CD LYS A 6 80.092 3.051 9.252 1.00 2.17 C ATOM 91 CE LYS A 6 79.456 4.389 8.872 1.00 3.13 C ATOM 92 NZ LYS A 6 80.565 5.185 8.276 1.00 3.45 N ATOM 0 H LYS A 6 78.526 -1.384 9.028 1.00 1.08 H new ATOM 0 HA LYS A 6 78.495 0.545 7.018 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.780 -0.040 9.601 1.00 1.28 H new ATOM 0 HB3 LYS A 6 80.902 0.826 8.570 1.00 1.28 H new ATOM 0 HG2 LYS A 6 78.450 2.165 8.159 1.00 1.93 H new ATOM 0 HG3 LYS A 6 78.440 1.801 9.873 1.00 1.93 H new ATOM 0 HD2 LYS A 6 80.392 3.064 10.300 1.00 2.17 H new ATOM 0 HD3 LYS A 6 80.995 2.885 8.664 1.00 2.17 H new ATOM 0 HE2 LYS A 6 78.642 4.251 8.161 1.00 3.13 H new ATOM 0 HE3 LYS A 6 79.036 4.889 9.745 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 80.207 6.119 7.989 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 81.323 5.305 8.978 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 80.941 4.688 7.443 1.00 3.45 H new ATOM 106 N ALA A 7 81.141 -1.353 6.683 1.00 1.45 N ATOM 107 CA ALA A 7 82.222 -1.668 5.705 1.00 1.74 C ATOM 108 C ALA A 7 81.636 -2.347 4.464 1.00 1.74 C ATOM 109 O ALA A 7 82.137 -2.196 3.367 1.00 1.92 O ATOM 110 CB ALA A 7 83.160 -2.622 6.446 1.00 1.95 C ATOM 0 H ALA A 7 81.095 -1.970 7.494 1.00 1.45 H new ATOM 0 HA ALA A 7 82.739 -0.773 5.360 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.985 -2.902 5.792 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.553 -2.128 7.335 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.611 -3.516 6.741 1.00 1.95 H new ATOM 116 N ALA A 8 80.579 -3.096 4.627 1.00 1.60 N ATOM 117 CA ALA A 8 79.965 -3.785 3.456 1.00 1.68 C ATOM 118 C ALA A 8 79.540 -2.762 2.398 1.00 1.49 C ATOM 119 O ALA A 8 79.657 -2.998 1.211 1.00 1.62 O ATOM 120 CB ALA A 8 78.744 -4.512 4.021 1.00 1.71 C ATOM 0 H ALA A 8 80.114 -3.260 5.520 1.00 1.60 H new ATOM 0 HA ALA A 8 80.660 -4.470 2.970 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.235 -5.046 3.219 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.064 -5.222 4.783 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.062 -3.787 4.464 1.00 1.71 H new ATOM 126 N VAL A 9 79.045 -1.630 2.816 1.00 1.25 N ATOM 127 CA VAL A 9 78.612 -0.597 1.832 1.00 1.20 C ATOM 128 C VAL A 9 79.832 0.023 1.146 1.00 1.40 C ATOM 129 O VAL A 9 79.732 0.596 0.079 1.00 1.41 O ATOM 130 CB VAL A 9 77.873 0.454 2.662 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.541 1.660 1.782 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.577 -0.151 3.207 1.00 1.52 C ATOM 0 H VAL A 9 78.921 -1.375 3.796 1.00 1.25 H new ATOM 0 HA VAL A 9 77.982 -1.013 1.046 1.00 1.20 H new ATOM 0 HB VAL A 9 78.505 0.774 3.491 1.00 1.13 H new ATOM 0 HG11 VAL A 9 77.014 2.408 2.374 1.00 1.83 H new ATOM 0 HG12 VAL A 9 78.463 2.090 1.391 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.908 1.342 0.953 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.048 0.596 3.799 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.947 -0.469 2.377 1.00 1.52 H new ATOM 0 HG23 VAL A 9 76.812 -1.011 3.834 1.00 1.52 H new ATOM 142 N GLU A 10 80.982 -0.083 1.752 1.00 1.64 N ATOM 143 CA GLU A 10 82.208 0.503 1.137 1.00 1.94 C ATOM 144 C GLU A 10 82.806 -0.461 0.108 1.00 1.97 C ATOM 145 O GLU A 10 83.652 -0.092 -0.682 1.00 2.19 O ATOM 146 CB GLU A 10 83.175 0.707 2.304 1.00 2.23 C ATOM 147 CG GLU A 10 83.696 2.146 2.294 1.00 2.75 C ATOM 148 CD GLU A 10 85.200 2.142 2.018 1.00 3.11 C ATOM 149 OE1 GLU A 10 85.570 2.177 0.855 1.00 3.35 O ATOM 150 OE2 GLU A 10 85.958 2.106 2.973 1.00 3.61 O ATOM 0 H GLU A 10 81.127 -0.550 2.647 1.00 1.64 H new ATOM 0 HA GLU A 10 81.998 1.434 0.610 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.671 0.499 3.248 1.00 2.23 H new ATOM 0 HB3 GLU A 10 84.007 0.008 2.226 1.00 2.23 H new ATOM 0 HG2 GLU A 10 83.177 2.727 1.531 1.00 2.75 H new ATOM 0 HG3 GLU A 10 83.493 2.624 3.252 1.00 2.75 H new ATOM 157 N GLN A 11 82.380 -1.695 0.114 1.00 1.87 N ATOM 158 CA GLN A 11 82.932 -2.677 -0.864 1.00 2.00 C ATOM 159 C GLN A 11 82.286 -2.486 -2.239 1.00 1.46 C ATOM 160 O GLN A 11 82.776 -2.975 -3.238 1.00 1.69 O ATOM 161 CB GLN A 11 82.579 -4.049 -0.290 1.00 2.54 C ATOM 162 CG GLN A 11 83.068 -4.142 1.157 1.00 3.27 C ATOM 163 CD GLN A 11 84.520 -4.624 1.176 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.799 -5.762 0.854 1.00 4.41 O ATOM 165 NE2 GLN A 11 85.464 -3.800 1.543 1.00 3.95 N ATOM 0 H GLN A 11 81.675 -2.065 0.752 1.00 1.87 H new ATOM 0 HA GLN A 11 84.006 -2.557 -1.004 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.501 -4.205 -0.331 1.00 2.54 H new ATOM 0 HB3 GLN A 11 83.038 -4.835 -0.891 1.00 2.54 H new ATOM 0 HG2 GLN A 11 82.991 -3.169 1.641 1.00 3.27 H new ATOM 0 HG3 GLN A 11 82.438 -4.830 1.721 1.00 3.27 H new ATOM 0 HE21 GLN A 11 85.230 -2.845 1.813 1.00 3.95 H new ATOM 0 HE22 GLN A 11 86.435 -4.112 1.559 1.00 3.95 H new ATOM 174 N LEU A 12 81.189 -1.781 -2.302 1.00 1.14 N ATOM 175 CA LEU A 12 80.516 -1.566 -3.617 1.00 1.23 C ATOM 176 C LEU A 12 81.348 -0.621 -4.490 1.00 1.75 C ATOM 177 O LEU A 12 81.781 0.425 -4.049 1.00 2.52 O ATOM 178 CB LEU A 12 79.169 -0.930 -3.273 1.00 1.10 C ATOM 179 CG LEU A 12 78.406 -1.844 -2.315 1.00 1.16 C ATOM 180 CD1 LEU A 12 77.157 -1.123 -1.807 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.993 -3.120 -3.051 1.00 1.62 C ATOM 0 H LEU A 12 80.730 -1.345 -1.502 1.00 1.14 H new ATOM 0 HA LEU A 12 80.398 -2.494 -4.177 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.322 0.048 -2.816 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.588 -0.770 -4.181 1.00 1.10 H new ATOM 0 HG LEU A 12 79.046 -2.100 -1.470 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.613 -1.775 -1.124 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.450 -0.213 -1.284 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.517 -0.866 -2.651 1.00 1.74 H new ATOM 0 HD21 LEU A 12 77.449 -3.773 -2.369 1.00 1.62 H new ATOM 0 HD22 LEU A 12 77.353 -2.862 -3.895 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.883 -3.635 -3.414 1.00 1.62 H new ATOM 193 N THR A 13 81.573 -0.979 -5.725 1.00 1.74 N ATOM 194 CA THR A 13 82.375 -0.098 -6.621 1.00 2.37 C ATOM 195 C THR A 13 81.548 1.119 -7.047 1.00 2.28 C ATOM 196 O THR A 13 80.334 1.101 -7.007 1.00 1.84 O ATOM 197 CB THR A 13 82.721 -0.965 -7.834 1.00 2.87 C ATOM 198 OG1 THR A 13 81.911 -2.133 -7.829 1.00 2.80 O ATOM 199 CG2 THR A 13 84.197 -1.365 -7.772 1.00 3.47 C ATOM 0 H THR A 13 81.237 -1.842 -6.152 1.00 1.74 H new ATOM 0 HA THR A 13 83.269 0.283 -6.128 1.00 2.37 H new ATOM 0 HB THR A 13 82.537 -0.400 -8.748 1.00 2.87 H new ATOM 0 HG1 THR A 13 82.131 -2.687 -8.607 1.00 2.80 H new ATOM 0 HG21 THR A 13 84.443 -1.982 -8.636 1.00 3.47 H new ATOM 0 HG22 THR A 13 84.817 -0.469 -7.778 1.00 3.47 H new ATOM 0 HG23 THR A 13 84.383 -1.929 -6.858 1.00 3.47 H new ATOM 207 N GLU A 14 82.198 2.176 -7.450 1.00 2.79 N ATOM 208 CA GLU A 14 81.456 3.398 -7.875 1.00 2.85 C ATOM 209 C GLU A 14 80.404 3.052 -8.933 1.00 2.54 C ATOM 210 O GLU A 14 79.467 3.792 -9.151 1.00 2.21 O ATOM 211 CB GLU A 14 82.523 4.320 -8.464 1.00 3.57 C ATOM 212 CG GLU A 14 83.162 3.649 -9.681 1.00 3.91 C ATOM 213 CD GLU A 14 84.683 3.800 -9.607 1.00 4.24 C ATOM 214 OE1 GLU A 14 85.182 4.811 -10.073 1.00 4.48 O ATOM 215 OE2 GLU A 14 85.323 2.902 -9.084 1.00 4.66 O ATOM 0 H GLU A 14 83.214 2.247 -7.504 1.00 2.79 H new ATOM 0 HA GLU A 14 80.922 3.861 -7.045 1.00 2.85 H new ATOM 0 HB2 GLU A 14 82.077 5.272 -8.753 1.00 3.57 H new ATOM 0 HB3 GLU A 14 83.284 4.539 -7.715 1.00 3.57 H new ATOM 0 HG2 GLU A 14 82.892 2.593 -9.711 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.785 4.101 -10.598 1.00 3.91 H new ATOM 222 N GLU A 15 80.552 1.937 -9.596 1.00 2.73 N ATOM 223 CA GLU A 15 79.558 1.556 -10.641 1.00 2.59 C ATOM 224 C GLU A 15 78.248 1.098 -9.993 1.00 2.19 C ATOM 225 O GLU A 15 77.176 1.296 -10.533 1.00 2.08 O ATOM 226 CB GLU A 15 80.210 0.405 -11.408 1.00 3.01 C ATOM 227 CG GLU A 15 80.186 -0.861 -10.549 1.00 3.67 C ATOM 228 CD GLU A 15 81.124 -1.905 -11.154 1.00 4.32 C ATOM 229 OE1 GLU A 15 82.155 -1.514 -11.677 1.00 4.98 O ATOM 230 OE2 GLU A 15 80.794 -3.078 -11.088 1.00 4.51 O ATOM 0 H GLU A 15 81.316 1.275 -9.460 1.00 2.73 H new ATOM 0 HA GLU A 15 79.309 2.392 -11.294 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.680 0.232 -12.344 1.00 3.01 H new ATOM 0 HB3 GLU A 15 81.237 0.662 -11.666 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.493 -0.628 -9.530 1.00 3.67 H new ATOM 0 HG3 GLU A 15 79.172 -1.256 -10.493 1.00 3.67 H new ATOM 237 N GLN A 16 78.322 0.487 -8.842 1.00 2.04 N ATOM 238 CA GLN A 16 77.075 0.016 -8.167 1.00 1.73 C ATOM 239 C GLN A 16 76.372 1.191 -7.483 1.00 1.35 C ATOM 240 O GLN A 16 75.279 1.574 -7.852 1.00 1.17 O ATOM 241 CB GLN A 16 77.536 -1.004 -7.121 1.00 1.74 C ATOM 242 CG GLN A 16 78.668 -1.860 -7.690 1.00 2.16 C ATOM 243 CD GLN A 16 78.375 -3.339 -7.431 1.00 2.30 C ATOM 244 OE1 GLN A 16 78.036 -4.071 -8.339 1.00 3.06 O ATOM 245 NE2 GLN A 16 78.494 -3.812 -6.221 1.00 2.19 N ATOM 0 H GLN A 16 79.188 0.293 -8.340 1.00 2.04 H new ATOM 0 HA GLN A 16 76.369 -0.419 -8.874 1.00 1.73 H new ATOM 0 HB2 GLN A 16 77.875 -0.488 -6.223 1.00 1.74 H new ATOM 0 HB3 GLN A 16 76.700 -1.639 -6.828 1.00 1.74 H new ATOM 0 HG2 GLN A 16 78.769 -1.681 -8.760 1.00 2.16 H new ATOM 0 HG3 GLN A 16 79.615 -1.581 -7.229 1.00 2.16 H new ATOM 0 HE21 GLN A 16 78.779 -3.197 -5.459 1.00 2.19 H new ATOM 0 HE22 GLN A 16 78.302 -4.797 -6.037 1.00 2.19 H new ATOM 254 N LYS A 17 76.991 1.760 -6.487 1.00 1.41 N ATOM 255 CA LYS A 17 76.359 2.908 -5.774 1.00 1.21 C ATOM 256 C LYS A 17 75.882 3.964 -6.776 1.00 1.08 C ATOM 257 O LYS A 17 74.943 4.693 -6.522 1.00 0.97 O ATOM 258 CB LYS A 17 77.460 3.478 -4.877 1.00 1.52 C ATOM 259 CG LYS A 17 78.768 3.589 -5.665 1.00 2.28 C ATOM 260 CD LYS A 17 79.862 2.797 -4.945 1.00 2.64 C ATOM 261 CE LYS A 17 80.218 3.497 -3.633 1.00 2.74 C ATOM 262 NZ LYS A 17 79.846 2.527 -2.567 1.00 2.91 N ATOM 0 H LYS A 17 77.907 1.481 -6.135 1.00 1.41 H new ATOM 0 HA LYS A 17 75.485 2.601 -5.200 1.00 1.21 H new ATOM 0 HB2 LYS A 17 77.166 4.459 -4.504 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.602 2.836 -4.008 1.00 1.52 H new ATOM 0 HG2 LYS A 17 78.631 3.205 -6.676 1.00 2.28 H new ATOM 0 HG3 LYS A 17 79.062 4.634 -5.759 1.00 2.28 H new ATOM 0 HD2 LYS A 17 79.520 1.781 -4.747 1.00 2.64 H new ATOM 0 HD3 LYS A 17 80.745 2.718 -5.579 1.00 2.64 H new ATOM 0 HE2 LYS A 17 81.279 3.742 -3.591 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.670 4.433 -3.524 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 79.751 3.027 -1.660 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 78.941 2.075 -2.809 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.585 1.800 -2.486 1.00 2.91 H new ATOM 276 N ASN A 18 76.518 4.053 -7.911 1.00 1.19 N ATOM 277 CA ASN A 18 76.100 5.064 -8.924 1.00 1.13 C ATOM 278 C ASN A 18 74.706 4.729 -9.467 1.00 0.92 C ATOM 279 O ASN A 18 73.858 5.589 -9.597 1.00 0.77 O ATOM 280 CB ASN A 18 77.144 4.968 -10.037 1.00 1.38 C ATOM 281 CG ASN A 18 78.244 6.002 -9.796 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.518 6.366 -8.669 1.00 1.98 O ATOM 283 ND2 ASN A 18 78.891 6.498 -10.815 1.00 2.51 N ATOM 0 H ASN A 18 77.310 3.469 -8.182 1.00 1.19 H new ATOM 0 HA ASN A 18 76.044 6.068 -8.503 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.572 3.966 -10.063 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.675 5.140 -11.006 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.625 7.190 -10.665 1.00 2.51 H new ATOM 0 HD22 ASN A 18 78.662 6.194 -11.761 1.00 2.51 H new ATOM 290 N GLU A 19 74.466 3.487 -9.788 1.00 1.02 N ATOM 291 CA GLU A 19 73.129 3.102 -10.326 1.00 0.98 C ATOM 292 C GLU A 19 72.043 3.338 -9.274 1.00 0.83 C ATOM 293 O GLU A 19 70.949 3.765 -9.583 1.00 0.82 O ATOM 294 CB GLU A 19 73.248 1.612 -10.650 1.00 1.25 C ATOM 295 CG GLU A 19 74.276 1.413 -11.765 1.00 1.54 C ATOM 296 CD GLU A 19 74.464 -0.083 -12.026 1.00 2.01 C ATOM 297 OE1 GLU A 19 74.221 -0.857 -11.116 1.00 2.60 O ATOM 298 OE2 GLU A 19 74.846 -0.428 -13.132 1.00 2.48 O ATOM 0 H GLU A 19 75.136 2.723 -9.701 1.00 1.02 H new ATOM 0 HA GLU A 19 72.852 3.690 -11.201 1.00 0.98 H new ATOM 0 HB2 GLU A 19 73.549 1.058 -9.761 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.280 1.218 -10.959 1.00 1.25 H new ATOM 0 HG2 GLU A 19 73.943 1.912 -12.675 1.00 1.54 H new ATOM 0 HG3 GLU A 19 75.226 1.866 -11.483 1.00 1.54 H new ATOM 305 N PHE A 20 72.335 3.064 -8.032 1.00 0.83 N ATOM 306 CA PHE A 20 71.315 3.275 -6.963 1.00 0.78 C ATOM 307 C PHE A 20 70.900 4.748 -6.916 1.00 0.69 C ATOM 308 O PHE A 20 69.772 5.075 -6.606 1.00 0.74 O ATOM 309 CB PHE A 20 72.011 2.870 -5.664 1.00 0.94 C ATOM 310 CG PHE A 20 72.071 1.364 -5.577 1.00 1.20 C ATOM 311 CD1 PHE A 20 70.887 0.617 -5.562 1.00 2.07 C ATOM 312 CD2 PHE A 20 73.309 0.714 -5.513 1.00 1.96 C ATOM 313 CE1 PHE A 20 70.940 -0.779 -5.482 1.00 2.93 C ATOM 314 CE2 PHE A 20 73.362 -0.684 -5.434 1.00 2.88 C ATOM 315 CZ PHE A 20 72.178 -1.430 -5.418 1.00 3.19 C ATOM 0 H PHE A 20 73.234 2.704 -7.711 1.00 0.83 H new ATOM 0 HA PHE A 20 70.409 2.695 -7.135 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.017 3.288 -5.632 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.471 3.274 -4.808 1.00 0.94 H new ATOM 0 HD1 PHE A 20 69.932 1.119 -5.612 1.00 2.07 H new ATOM 0 HD2 PHE A 20 74.223 1.290 -5.525 1.00 1.96 H new ATOM 0 HE1 PHE A 20 70.026 -1.354 -5.470 1.00 2.93 H new ATOM 0 HE2 PHE A 20 74.317 -1.186 -5.385 1.00 2.88 H new ATOM 0 HZ PHE A 20 72.219 -2.507 -5.356 1.00 3.19 H new ATOM 325 N LYS A 21 71.803 5.637 -7.226 1.00 0.73 N ATOM 326 CA LYS A 21 71.458 7.088 -7.202 1.00 0.83 C ATOM 327 C LYS A 21 70.380 7.390 -8.246 1.00 0.81 C ATOM 328 O LYS A 21 69.416 8.078 -7.975 1.00 0.97 O ATOM 329 CB LYS A 21 72.761 7.809 -7.552 1.00 1.00 C ATOM 330 CG LYS A 21 72.715 9.239 -7.012 1.00 1.37 C ATOM 331 CD LYS A 21 73.556 10.150 -7.909 1.00 1.81 C ATOM 332 CE LYS A 21 73.910 11.430 -7.148 1.00 2.52 C ATOM 333 NZ LYS A 21 75.214 11.139 -6.492 1.00 3.32 N ATOM 0 H LYS A 21 72.763 5.423 -7.495 1.00 0.73 H new ATOM 0 HA LYS A 21 71.063 7.405 -6.237 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.610 7.275 -7.125 1.00 1.00 H new ATOM 0 HB3 LYS A 21 72.903 7.822 -8.633 1.00 1.00 H new ATOM 0 HG2 LYS A 21 71.685 9.594 -6.979 1.00 1.37 H new ATOM 0 HG3 LYS A 21 73.094 9.266 -5.990 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.465 9.635 -8.218 1.00 1.81 H new ATOM 0 HD3 LYS A 21 73.004 10.395 -8.817 1.00 1.81 H new ATOM 0 HE2 LYS A 21 73.989 12.282 -7.823 1.00 2.52 H new ATOM 0 HE3 LYS A 21 73.144 11.677 -6.412 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 75.523 11.971 -5.950 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.106 10.328 -5.850 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 75.925 10.914 -7.217 1.00 3.32 H new ATOM 347 N ALA A 22 70.534 6.877 -9.436 1.00 0.78 N ATOM 348 CA ALA A 22 69.515 7.134 -10.494 1.00 0.87 C ATOM 349 C ALA A 22 68.167 6.541 -10.079 1.00 0.81 C ATOM 350 O ALA A 22 67.136 7.173 -10.199 1.00 0.83 O ATOM 351 CB ALA A 22 70.052 6.430 -11.739 1.00 0.97 C ATOM 0 H ALA A 22 71.319 6.292 -9.721 1.00 0.78 H new ATOM 0 HA ALA A 22 69.355 8.198 -10.667 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.356 6.572 -12.566 1.00 0.97 H new ATOM 0 HB2 ALA A 22 71.022 6.850 -12.004 1.00 0.97 H new ATOM 0 HB3 ALA A 22 70.161 5.365 -11.536 1.00 0.97 H new ATOM 357 N ALA A 23 68.165 5.333 -9.587 1.00 0.80 N ATOM 358 CA ALA A 23 66.883 4.704 -9.162 1.00 0.81 C ATOM 359 C ALA A 23 66.338 5.419 -7.924 1.00 0.74 C ATOM 360 O ALA A 23 65.146 5.597 -7.771 1.00 0.77 O ATOM 361 CB ALA A 23 67.240 3.255 -8.835 1.00 0.89 C ATOM 0 H ALA A 23 68.995 4.754 -9.461 1.00 0.80 H new ATOM 0 HA ALA A 23 66.113 4.765 -9.932 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.345 2.723 -8.513 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.649 2.772 -9.722 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.981 3.234 -8.036 1.00 0.89 H new ATOM 367 N PHE A 24 67.202 5.837 -7.040 1.00 0.71 N ATOM 368 CA PHE A 24 66.731 6.545 -5.816 1.00 0.72 C ATOM 369 C PHE A 24 65.777 7.677 -6.202 1.00 0.71 C ATOM 370 O PHE A 24 64.773 7.904 -5.555 1.00 0.73 O ATOM 371 CB PHE A 24 67.998 7.110 -5.172 1.00 0.82 C ATOM 372 CG PHE A 24 67.626 7.910 -3.946 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.147 9.218 -4.083 1.00 1.81 C ATOM 374 CD2 PHE A 24 67.762 7.344 -2.674 1.00 1.51 C ATOM 375 CE1 PHE A 24 66.803 9.960 -2.946 1.00 2.09 C ATOM 376 CE2 PHE A 24 67.418 8.084 -1.537 1.00 1.88 C ATOM 377 CZ PHE A 24 66.940 9.393 -1.672 1.00 1.85 C ATOM 0 H PHE A 24 68.213 5.719 -7.112 1.00 0.71 H new ATOM 0 HA PHE A 24 66.190 5.886 -5.138 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.673 6.299 -4.899 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.530 7.741 -5.884 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.043 9.655 -5.065 1.00 1.81 H new ATOM 0 HD2 PHE A 24 68.133 6.335 -2.569 1.00 1.51 H new ATOM 0 HE1 PHE A 24 66.432 10.969 -3.051 1.00 2.09 H new ATOM 0 HE2 PHE A 24 67.521 7.645 -0.556 1.00 1.88 H new ATOM 0 HZ PHE A 24 66.677 9.965 -0.795 1.00 1.85 H new ATOM 387 N ASP A 25 66.083 8.391 -7.251 1.00 0.81 N ATOM 388 CA ASP A 25 65.192 9.509 -7.675 1.00 0.97 C ATOM 389 C ASP A 25 63.886 8.955 -8.251 1.00 1.04 C ATOM 390 O ASP A 25 62.922 9.674 -8.431 1.00 1.23 O ATOM 391 CB ASP A 25 65.978 10.257 -8.753 1.00 1.18 C ATOM 392 CG ASP A 25 66.583 11.527 -8.154 1.00 1.57 C ATOM 393 OD1 ASP A 25 65.824 12.423 -7.824 1.00 2.18 O ATOM 394 OD2 ASP A 25 67.796 11.583 -8.034 1.00 1.98 O ATOM 0 H ASP A 25 66.909 8.249 -7.832 1.00 0.81 H new ATOM 0 HA ASP A 25 64.922 10.159 -6.843 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.767 9.619 -9.152 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.322 10.512 -9.586 1.00 1.18 H new ATOM 399 N ILE A 26 63.844 7.683 -8.543 1.00 0.99 N ATOM 400 CA ILE A 26 62.600 7.091 -9.107 1.00 1.18 C ATOM 401 C ILE A 26 61.604 6.778 -7.985 1.00 1.09 C ATOM 402 O ILE A 26 60.407 6.887 -8.159 1.00 1.23 O ATOM 403 CB ILE A 26 63.053 5.810 -9.801 1.00 1.38 C ATOM 404 CG1 ILE A 26 63.985 6.178 -10.964 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.826 5.063 -10.327 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.054 5.025 -11.966 1.00 1.61 C ATOM 0 H ILE A 26 64.617 7.030 -8.415 1.00 0.99 H new ATOM 0 HA ILE A 26 62.094 7.768 -9.795 1.00 1.18 H new ATOM 0 HB ILE A 26 63.587 5.169 -9.099 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.623 7.079 -11.459 1.00 1.55 H new ATOM 0 HG13 ILE A 26 64.982 6.401 -10.585 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.144 4.146 -10.824 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.167 4.815 -9.495 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.292 5.695 -11.037 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.718 5.296 -12.787 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.437 4.134 -11.469 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.057 4.823 -12.357 1.00 1.61 H new ATOM 418 N PHE A 27 62.089 6.392 -6.835 1.00 0.94 N ATOM 419 CA PHE A 27 61.166 6.080 -5.708 1.00 0.95 C ATOM 420 C PHE A 27 60.733 7.373 -5.012 1.00 0.79 C ATOM 421 O PHE A 27 59.623 7.494 -4.535 1.00 0.87 O ATOM 422 CB PHE A 27 61.986 5.213 -4.749 1.00 1.05 C ATOM 423 CG PHE A 27 62.786 4.196 -5.531 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.138 3.310 -6.400 1.00 1.97 C ATOM 425 CD2 PHE A 27 64.177 4.138 -5.383 1.00 1.67 C ATOM 426 CE1 PHE A 27 62.881 2.367 -7.120 1.00 2.24 C ATOM 427 CE2 PHE A 27 64.920 3.196 -6.103 1.00 1.91 C ATOM 428 CZ PHE A 27 64.272 2.310 -6.972 1.00 1.91 C ATOM 0 H PHE A 27 63.082 6.280 -6.629 1.00 0.94 H new ATOM 0 HA PHE A 27 60.261 5.574 -6.045 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.655 5.840 -4.160 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.324 4.706 -4.047 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.065 3.354 -6.515 1.00 1.97 H new ATOM 0 HD2 PHE A 27 64.677 4.821 -4.712 1.00 1.67 H new ATOM 0 HE1 PHE A 27 62.381 1.683 -7.790 1.00 2.24 H new ATOM 0 HE2 PHE A 27 65.993 3.152 -5.988 1.00 1.91 H new ATOM 0 HZ PHE A 27 64.845 1.583 -7.528 1.00 1.91 H new ATOM 438 N VAL A 28 61.609 8.341 -4.950 1.00 0.76 N ATOM 439 CA VAL A 28 61.262 9.624 -4.283 1.00 0.78 C ATOM 440 C VAL A 28 60.581 10.577 -5.268 1.00 0.97 C ATOM 441 O VAL A 28 60.646 11.781 -5.122 1.00 1.39 O ATOM 442 CB VAL A 28 62.605 10.195 -3.831 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.362 9.141 -3.024 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.432 10.587 -5.057 1.00 1.34 C ATOM 0 H VAL A 28 62.552 8.295 -5.335 1.00 0.76 H new ATOM 0 HA VAL A 28 60.568 9.485 -3.454 1.00 0.78 H new ATOM 0 HB VAL A 28 62.434 11.075 -3.211 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.320 9.549 -2.702 1.00 1.33 H new ATOM 0 HG12 VAL A 28 62.774 8.861 -2.150 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.532 8.261 -3.644 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.390 10.994 -4.734 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.602 9.707 -5.678 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.894 11.339 -5.634 1.00 1.34 H new ATOM 454 N LEU A 29 59.926 10.051 -6.268 1.00 1.11 N ATOM 455 CA LEU A 29 59.242 10.935 -7.257 1.00 1.39 C ATOM 456 C LEU A 29 58.510 12.069 -6.532 1.00 1.56 C ATOM 457 O LEU A 29 57.380 11.923 -6.114 1.00 1.98 O ATOM 458 CB LEU A 29 58.244 10.028 -7.975 1.00 1.45 C ATOM 459 CG LEU A 29 58.642 9.886 -9.445 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.616 11.259 -10.119 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.054 9.302 -9.537 1.00 2.41 C ATOM 0 H LEU A 29 59.835 9.050 -6.443 1.00 1.11 H new ATOM 0 HA LEU A 29 59.943 11.399 -7.951 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.220 9.048 -7.498 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.239 10.444 -7.899 1.00 1.45 H new ATOM 0 HG LEU A 29 57.938 9.222 -9.947 1.00 1.71 H new ATOM 0 HD11 LEU A 29 58.900 11.156 -11.166 1.00 2.28 H new ATOM 0 HD12 LEU A 29 57.611 11.677 -10.055 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.318 11.924 -9.617 1.00 2.28 H new ATOM 0 HD21 LEU A 29 60.338 9.201 -10.584 1.00 2.41 H new ATOM 0 HD22 LEU A 29 60.756 9.966 -9.033 1.00 2.41 H new ATOM 0 HD23 LEU A 29 60.075 8.323 -9.059 1.00 2.41 H new ATOM 473 N GLY A 30 59.147 13.199 -6.381 1.00 1.92 N ATOM 474 CA GLY A 30 58.487 14.339 -5.684 1.00 2.16 C ATOM 475 C GLY A 30 58.091 13.918 -4.267 1.00 1.95 C ATOM 476 O GLY A 30 56.966 14.101 -3.848 1.00 2.01 O ATOM 0 H GLY A 30 60.095 13.381 -6.710 1.00 1.92 H new ATOM 0 HA2 GLY A 30 59.162 15.194 -5.644 1.00 2.16 H new ATOM 0 HA3 GLY A 30 57.604 14.656 -6.240 1.00 2.16 H new ATOM 480 N ALA A 31 59.006 13.356 -3.526 1.00 1.94 N ATOM 481 CA ALA A 31 58.677 12.926 -2.136 1.00 1.87 C ATOM 482 C ALA A 31 58.641 14.141 -1.204 1.00 2.03 C ATOM 483 O ALA A 31 58.612 15.272 -1.644 1.00 2.28 O ATOM 484 CB ALA A 31 59.808 11.978 -1.737 1.00 1.50 C ATOM 0 H ALA A 31 59.966 13.176 -3.821 1.00 1.94 H new ATOM 0 HA ALA A 31 57.701 12.445 -2.071 1.00 1.87 H new ATOM 0 HB1 ALA A 31 59.639 11.616 -0.723 1.00 1.50 H new ATOM 0 HB2 ALA A 31 59.833 11.132 -2.424 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.759 12.508 -1.779 1.00 1.50 H new ATOM 490 N GLU A 32 58.643 13.915 0.082 1.00 2.22 N ATOM 491 CA GLU A 32 58.612 15.059 1.039 1.00 2.52 C ATOM 492 C GLU A 32 59.999 15.699 1.143 1.00 2.19 C ATOM 493 O GLU A 32 60.135 16.905 1.192 1.00 2.44 O ATOM 494 CB GLU A 32 58.203 14.445 2.380 1.00 3.02 C ATOM 495 CG GLU A 32 56.827 13.791 2.248 1.00 3.65 C ATOM 496 CD GLU A 32 56.492 13.042 3.538 1.00 4.03 C ATOM 497 OE1 GLU A 32 56.853 13.533 4.595 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.882 11.990 3.449 1.00 4.40 O ATOM 0 H GLU A 32 58.665 12.990 0.511 1.00 2.22 H new ATOM 0 HA GLU A 32 57.923 15.842 0.723 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.940 13.705 2.692 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.178 15.215 3.151 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.070 14.549 2.048 1.00 3.65 H new ATOM 0 HG3 GLU A 32 56.819 13.103 1.403 1.00 3.65 H new ATOM 505 N ASP A 33 61.031 14.899 1.180 1.00 1.88 N ATOM 506 CA ASP A 33 62.408 15.463 1.284 1.00 1.82 C ATOM 507 C ASP A 33 63.350 14.747 0.312 1.00 1.49 C ATOM 508 O ASP A 33 64.550 14.718 0.504 1.00 1.70 O ATOM 509 CB ASP A 33 62.833 15.203 2.729 1.00 2.02 C ATOM 510 CG ASP A 33 62.900 13.694 2.976 1.00 2.43 C ATOM 511 OD1 ASP A 33 61.909 13.027 2.723 1.00 2.98 O ATOM 512 OD2 ASP A 33 63.940 13.230 3.413 1.00 2.79 O ATOM 0 H ASP A 33 60.980 13.881 1.143 1.00 1.88 H new ATOM 0 HA ASP A 33 62.439 16.523 1.033 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.805 15.657 2.921 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.124 15.664 3.417 1.00 2.02 H new ATOM 517 N GLY A 34 62.818 14.169 -0.730 1.00 1.25 N ATOM 518 CA GLY A 34 63.686 13.458 -1.710 1.00 1.06 C ATOM 519 C GLY A 34 64.214 12.167 -1.082 1.00 0.97 C ATOM 520 O GLY A 34 65.354 11.793 -1.273 1.00 1.19 O ATOM 0 H GLY A 34 61.821 14.158 -0.945 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.121 13.231 -2.614 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.518 14.097 -2.006 1.00 1.06 H new ATOM 524 N CYS A 35 63.392 11.483 -0.333 1.00 0.83 N ATOM 525 CA CYS A 35 63.845 10.215 0.308 1.00 0.79 C ATOM 526 C CYS A 35 62.964 9.050 -0.149 1.00 0.72 C ATOM 527 O CYS A 35 61.868 9.243 -0.637 1.00 0.75 O ATOM 528 CB CYS A 35 63.684 10.453 1.809 1.00 0.83 C ATOM 529 SG CYS A 35 65.317 10.513 2.590 1.00 1.87 S ATOM 0 H CYS A 35 62.426 11.747 -0.137 1.00 0.83 H new ATOM 0 HA CYS A 35 64.871 9.960 0.044 1.00 0.79 H new ATOM 0 HB2 CYS A 35 63.151 11.387 1.985 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.086 9.657 2.252 1.00 0.83 H new ATOM 0 HG CYS A 35 65.429 11.610 3.278 1.00 1.87 H new ATOM 535 N ILE A 36 63.431 7.843 0.011 1.00 0.68 N ATOM 536 CA ILE A 36 62.615 6.665 -0.410 1.00 0.69 C ATOM 537 C ILE A 36 61.837 6.127 0.796 1.00 0.78 C ATOM 538 O ILE A 36 62.344 5.344 1.574 1.00 0.91 O ATOM 539 CB ILE A 36 63.617 5.616 -0.921 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.851 6.301 -1.526 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.947 4.758 -1.998 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.716 5.260 -2.240 1.00 0.76 C ATOM 0 H ILE A 36 64.341 7.619 0.414 1.00 0.68 H new ATOM 0 HA ILE A 36 61.891 6.921 -1.183 1.00 0.69 H new ATOM 0 HB ILE A 36 63.930 4.994 -0.083 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.542 7.076 -2.228 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.428 6.792 -0.742 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.655 4.013 -2.362 1.00 0.65 H new ATOM 0 HG22 ILE A 36 62.078 4.255 -1.574 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.631 5.394 -2.825 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.592 5.747 -2.669 1.00 0.76 H new ATOM 0 HD12 ILE A 36 66.036 4.501 -1.526 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.137 4.789 -3.034 1.00 0.76 H new ATOM 554 N SER A 37 60.613 6.551 0.962 1.00 0.79 N ATOM 555 CA SER A 37 59.806 6.076 2.125 1.00 0.91 C ATOM 556 C SER A 37 59.472 4.589 1.978 1.00 0.85 C ATOM 557 O SER A 37 59.694 3.991 0.943 1.00 0.92 O ATOM 558 CB SER A 37 58.530 6.916 2.090 1.00 1.09 C ATOM 559 OG SER A 37 58.353 7.555 3.348 1.00 1.94 O ATOM 0 H SER A 37 60.136 7.206 0.343 1.00 0.79 H new ATOM 0 HA SER A 37 60.344 6.184 3.067 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.593 7.661 1.297 1.00 1.09 H new ATOM 0 HB3 SER A 37 57.671 6.284 1.866 1.00 1.09 H new ATOM 0 HG SER A 37 57.536 8.096 3.328 1.00 1.94 H new ATOM 565 N THR A 38 58.937 3.990 3.007 1.00 0.88 N ATOM 566 CA THR A 38 58.585 2.543 2.931 1.00 1.02 C ATOM 567 C THR A 38 57.308 2.355 2.108 1.00 1.13 C ATOM 568 O THR A 38 56.969 1.256 1.714 1.00 1.48 O ATOM 569 CB THR A 38 58.358 2.115 4.380 1.00 1.12 C ATOM 570 OG1 THR A 38 58.132 0.713 4.429 1.00 1.47 O ATOM 571 CG2 THR A 38 57.143 2.851 4.940 1.00 1.25 C ATOM 0 H THR A 38 58.728 4.441 3.898 1.00 0.88 H new ATOM 0 HA THR A 38 59.364 1.951 2.450 1.00 1.02 H new ATOM 0 HB THR A 38 59.237 2.360 4.976 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.988 0.437 5.358 1.00 1.47 H new ATOM 0 HG21 THR A 38 56.978 2.548 5.974 1.00 1.25 H new ATOM 0 HG22 THR A 38 57.319 3.926 4.901 1.00 1.25 H new ATOM 0 HG23 THR A 38 56.263 2.606 4.345 1.00 1.25 H new ATOM 579 N LYS A 39 56.598 3.418 1.844 1.00 1.09 N ATOM 580 CA LYS A 39 55.346 3.297 1.046 1.00 1.33 C ATOM 581 C LYS A 39 55.670 2.836 -0.377 1.00 1.20 C ATOM 582 O LYS A 39 54.866 2.204 -1.033 1.00 1.45 O ATOM 583 CB LYS A 39 54.747 4.704 1.032 1.00 1.57 C ATOM 584 CG LYS A 39 53.853 4.890 2.260 1.00 2.27 C ATOM 585 CD LYS A 39 52.546 5.567 1.844 1.00 2.86 C ATOM 586 CE LYS A 39 51.549 4.504 1.374 1.00 3.52 C ATOM 587 NZ LYS A 39 50.333 4.724 2.207 1.00 4.37 N ATOM 0 H LYS A 39 56.831 4.364 2.146 1.00 1.09 H new ATOM 0 HA LYS A 39 54.656 2.566 1.467 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.542 5.449 1.032 1.00 1.57 H new ATOM 0 HB3 LYS A 39 54.168 4.855 0.121 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.644 3.924 2.720 1.00 2.27 H new ATOM 0 HG3 LYS A 39 54.366 5.495 3.008 1.00 2.27 H new ATOM 0 HD2 LYS A 39 52.130 6.126 2.682 1.00 2.86 H new ATOM 0 HD3 LYS A 39 52.733 6.284 1.045 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.326 4.613 0.313 1.00 3.52 H new ATOM 0 HE3 LYS A 39 51.947 3.499 1.514 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 49.602 4.032 1.944 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 50.575 4.607 3.212 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 49.972 5.686 2.048 1.00 4.37 H new ATOM 601 N GLU A 40 56.843 3.146 -0.859 1.00 0.96 N ATOM 602 CA GLU A 40 57.217 2.722 -2.239 1.00 0.95 C ATOM 603 C GLU A 40 58.229 1.575 -2.182 1.00 0.84 C ATOM 604 O GLU A 40 58.365 0.808 -3.116 1.00 0.95 O ATOM 605 CB GLU A 40 57.843 3.961 -2.878 1.00 1.08 C ATOM 606 CG GLU A 40 56.818 4.635 -3.794 1.00 1.33 C ATOM 607 CD GLU A 40 56.180 5.819 -3.065 1.00 1.85 C ATOM 608 OE1 GLU A 40 56.543 6.052 -1.924 1.00 2.70 O ATOM 609 OE2 GLU A 40 55.339 6.471 -3.661 1.00 1.99 O ATOM 0 H GLU A 40 57.558 3.674 -0.358 1.00 0.96 H new ATOM 0 HA GLU A 40 56.360 2.361 -2.808 1.00 0.95 H new ATOM 0 HB2 GLU A 40 58.169 4.657 -2.105 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.728 3.681 -3.449 1.00 1.08 H new ATOM 0 HG2 GLU A 40 57.302 4.976 -4.709 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.050 3.919 -4.087 1.00 1.33 H new ATOM 616 N LEU A 41 58.942 1.452 -1.095 1.00 0.81 N ATOM 617 CA LEU A 41 59.948 0.355 -0.979 1.00 0.75 C ATOM 618 C LEU A 41 59.381 -0.950 -1.543 1.00 0.77 C ATOM 619 O LEU A 41 59.974 -1.573 -2.402 1.00 0.77 O ATOM 620 CB LEU A 41 60.215 0.220 0.520 1.00 0.82 C ATOM 621 CG LEU A 41 61.536 -0.516 0.739 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.408 -1.956 0.237 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.649 0.195 -0.036 1.00 1.20 C ATOM 0 H LEU A 41 58.872 2.063 -0.282 1.00 0.81 H new ATOM 0 HA LEU A 41 60.858 0.571 -1.538 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.255 1.206 0.983 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.400 -0.324 0.998 1.00 0.82 H new ATOM 0 HG LEU A 41 61.777 -0.521 1.802 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.350 -2.481 0.393 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.615 -2.463 0.786 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.168 -1.951 -0.826 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.592 -0.329 0.119 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.407 0.199 -1.099 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.741 1.221 0.319 1.00 1.20 H new ATOM 635 N GLY A 42 58.240 -1.369 -1.069 1.00 0.88 N ATOM 636 CA GLY A 42 57.639 -2.633 -1.581 1.00 1.02 C ATOM 637 C GLY A 42 57.762 -2.674 -3.104 1.00 0.99 C ATOM 638 O GLY A 42 58.383 -3.558 -3.662 1.00 1.11 O ATOM 0 H GLY A 42 57.698 -0.891 -0.349 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.144 -3.493 -1.141 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.591 -2.695 -1.288 1.00 1.02 H new ATOM 642 N LYS A 43 57.180 -1.723 -3.783 1.00 0.91 N ATOM 643 CA LYS A 43 57.274 -1.711 -5.270 1.00 1.00 C ATOM 644 C LYS A 43 58.735 -1.566 -5.701 1.00 0.84 C ATOM 645 O LYS A 43 59.164 -2.141 -6.681 1.00 0.89 O ATOM 646 CB LYS A 43 56.461 -0.494 -5.711 1.00 1.12 C ATOM 647 CG LYS A 43 54.981 -0.724 -5.398 1.00 1.32 C ATOM 648 CD LYS A 43 54.124 -0.139 -6.523 1.00 1.85 C ATOM 649 CE LYS A 43 53.817 1.328 -6.221 1.00 2.24 C ATOM 650 NZ LYS A 43 52.716 1.293 -5.219 1.00 2.80 N ATOM 0 H LYS A 43 56.645 -0.957 -3.374 1.00 0.91 H new ATOM 0 HA LYS A 43 56.899 -2.632 -5.716 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.817 0.399 -5.198 1.00 1.12 H new ATOM 0 HB3 LYS A 43 56.595 -0.322 -6.779 1.00 1.12 H new ATOM 0 HG2 LYS A 43 54.782 -1.790 -5.292 1.00 1.32 H new ATOM 0 HG3 LYS A 43 54.722 -0.256 -4.448 1.00 1.32 H new ATOM 0 HD2 LYS A 43 54.648 -0.223 -7.475 1.00 1.85 H new ATOM 0 HD3 LYS A 43 53.196 -0.703 -6.619 1.00 1.85 H new ATOM 0 HE2 LYS A 43 54.694 1.842 -5.826 1.00 2.24 H new ATOM 0 HE3 LYS A 43 53.514 1.861 -7.122 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 51.848 1.678 -5.643 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 52.549 0.311 -4.920 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 52.981 1.866 -4.392 1.00 2.80 H new ATOM 664 N VAL A 44 59.504 -0.801 -4.975 1.00 0.75 N ATOM 665 CA VAL A 44 60.938 -0.623 -5.342 1.00 0.68 C ATOM 666 C VAL A 44 61.662 -1.971 -5.301 1.00 0.68 C ATOM 667 O VAL A 44 62.364 -2.337 -6.224 1.00 0.76 O ATOM 668 CB VAL A 44 61.509 0.320 -4.285 1.00 0.72 C ATOM 669 CG1 VAL A 44 63.028 0.409 -4.449 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.894 1.711 -4.458 1.00 1.70 C ATOM 0 H VAL A 44 59.202 -0.292 -4.144 1.00 0.75 H new ATOM 0 HA VAL A 44 61.058 -0.224 -6.349 1.00 0.68 H new ATOM 0 HB VAL A 44 61.273 -0.061 -3.291 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.437 1.082 -3.695 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.466 -0.582 -4.327 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.265 0.790 -5.442 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.301 2.385 -3.704 1.00 1.70 H new ATOM 0 HG22 VAL A 44 61.131 2.092 -5.451 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.812 1.647 -4.342 1.00 1.70 H new ATOM 680 N MET A 45 61.496 -2.712 -4.240 1.00 0.79 N ATOM 681 CA MET A 45 62.175 -4.036 -4.145 1.00 0.99 C ATOM 682 C MET A 45 61.796 -4.901 -5.349 1.00 1.03 C ATOM 683 O MET A 45 62.598 -5.651 -5.867 1.00 1.16 O ATOM 684 CB MET A 45 61.656 -4.661 -2.850 1.00 1.26 C ATOM 685 CG MET A 45 62.557 -4.245 -1.685 1.00 1.54 C ATOM 686 SD MET A 45 64.002 -5.333 -1.623 1.00 2.11 S ATOM 687 CE MET A 45 64.999 -4.324 -0.500 1.00 1.74 C ATOM 0 H MET A 45 60.921 -2.459 -3.436 1.00 0.79 H new ATOM 0 HA MET A 45 63.261 -3.946 -4.141 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.631 -4.339 -2.664 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.638 -5.747 -2.940 1.00 1.26 H new ATOM 0 HG2 MET A 45 62.873 -3.209 -1.808 1.00 1.54 H new ATOM 0 HG3 MET A 45 62.005 -4.301 -0.746 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.998 -4.751 -0.417 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.069 -3.308 -0.889 1.00 1.74 H new ATOM 0 HE3 MET A 45 64.531 -4.304 0.484 1.00 1.74 H new ATOM 697 N ARG A 46 60.577 -4.794 -5.801 1.00 1.05 N ATOM 698 CA ARG A 46 60.142 -5.601 -6.975 1.00 1.22 C ATOM 699 C ARG A 46 60.858 -5.113 -8.235 1.00 1.26 C ATOM 700 O ARG A 46 61.290 -5.893 -9.060 1.00 1.51 O ATOM 701 CB ARG A 46 58.638 -5.362 -7.083 1.00 1.28 C ATOM 702 CG ARG A 46 57.905 -6.270 -6.095 1.00 1.46 C ATOM 703 CD ARG A 46 56.396 -6.173 -6.331 1.00 1.98 C ATOM 704 NE ARG A 46 55.812 -5.914 -4.986 1.00 2.34 N ATOM 705 CZ ARG A 46 54.517 -5.920 -4.829 1.00 2.82 C ATOM 706 NH1 ARG A 46 53.733 -5.844 -5.870 1.00 3.34 N ATOM 707 NH2 ARG A 46 54.005 -6.001 -3.631 1.00 3.26 N ATOM 0 H ARG A 46 59.863 -4.182 -5.407 1.00 1.05 H new ATOM 0 HA ARG A 46 60.376 -6.660 -6.864 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.409 -4.317 -6.872 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.299 -5.564 -8.099 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.237 -7.301 -6.218 1.00 1.46 H new ATOM 0 HG3 ARG A 46 58.143 -5.978 -5.072 1.00 1.46 H new ATOM 0 HD2 ARG A 46 56.156 -5.369 -7.027 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.004 -7.095 -6.761 1.00 1.98 H new ATOM 0 HE ARG A 46 56.423 -5.732 -4.190 1.00 2.34 H new ATOM 0 HH11 ARG A 46 54.133 -5.780 -6.806 1.00 3.34 H new ATOM 0 HH12 ARG A 46 52.720 -5.849 -5.747 1.00 3.34 H new ATOM 0 HH21 ARG A 46 54.618 -6.060 -2.817 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.992 -6.006 -3.508 1.00 3.26 H new ATOM 721 N MET A 47 60.993 -3.824 -8.386 1.00 1.11 N ATOM 722 CA MET A 47 61.687 -3.281 -9.589 1.00 1.26 C ATOM 723 C MET A 47 63.083 -3.895 -9.706 1.00 1.19 C ATOM 724 O MET A 47 63.428 -4.494 -10.705 1.00 1.31 O ATOM 725 CB MET A 47 61.782 -1.776 -9.342 1.00 1.28 C ATOM 726 CG MET A 47 60.564 -1.079 -9.948 1.00 1.46 C ATOM 727 SD MET A 47 61.065 -0.165 -11.427 1.00 1.99 S ATOM 728 CE MET A 47 62.382 0.809 -10.657 1.00 2.19 C ATOM 0 H MET A 47 60.653 -3.123 -7.728 1.00 1.11 H new ATOM 0 HA MET A 47 61.158 -3.509 -10.515 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.833 -1.575 -8.272 1.00 1.28 H new ATOM 0 HB3 MET A 47 62.697 -1.382 -9.784 1.00 1.28 H new ATOM 0 HG2 MET A 47 59.801 -1.814 -10.203 1.00 1.46 H new ATOM 0 HG3 MET A 47 60.121 -0.399 -9.220 1.00 1.46 H new ATOM 0 HE1 MET A 47 62.427 1.793 -11.123 1.00 2.19 H new ATOM 0 HE2 MET A 47 62.177 0.921 -9.592 1.00 2.19 H new ATOM 0 HE3 MET A 47 63.337 0.300 -10.791 1.00 2.19 H new ATOM 738 N LEU A 48 63.886 -3.751 -8.689 1.00 1.09 N ATOM 739 CA LEU A 48 65.261 -4.328 -8.737 1.00 1.18 C ATOM 740 C LEU A 48 65.189 -5.839 -8.969 1.00 1.51 C ATOM 741 O LEU A 48 65.729 -6.357 -9.926 1.00 1.89 O ATOM 742 CB LEU A 48 65.861 -4.026 -7.364 1.00 1.18 C ATOM 743 CG LEU A 48 65.735 -2.530 -7.071 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.235 -2.330 -5.639 1.00 2.05 C ATOM 745 CD2 LEU A 48 67.101 -1.861 -7.231 1.00 1.70 C ATOM 0 H LEU A 48 63.651 -3.259 -7.827 1.00 1.09 H new ATOM 0 HA LEU A 48 65.860 -3.909 -9.546 1.00 1.18 H new ATOM 0 HB2 LEU A 48 65.346 -4.603 -6.595 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.909 -4.325 -7.339 1.00 1.18 H new ATOM 0 HG LEU A 48 65.027 -2.083 -7.769 1.00 1.35 H new ATOM 0 HD11 LEU A 48 65.145 -1.264 -5.430 1.00 2.05 H new ATOM 0 HD12 LEU A 48 64.261 -2.805 -5.524 1.00 2.05 H new ATOM 0 HD13 LEU A 48 65.942 -2.778 -4.941 1.00 2.05 H new ATOM 0 HD21 LEU A 48 67.011 -0.795 -7.022 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.809 -2.309 -6.534 1.00 1.70 H new ATOM 0 HD23 LEU A 48 67.458 -2.002 -8.251 1.00 1.70 H new ATOM 757 N GLY A 49 64.524 -6.548 -8.099 1.00 1.56 N ATOM 758 CA GLY A 49 64.414 -8.024 -8.268 1.00 1.97 C ATOM 759 C GLY A 49 64.218 -8.688 -6.902 1.00 1.69 C ATOM 760 O GLY A 49 64.736 -9.755 -6.641 1.00 1.87 O ATOM 0 H GLY A 49 64.052 -6.169 -7.278 1.00 1.56 H new ATOM 0 HA2 GLY A 49 63.576 -8.263 -8.923 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.313 -8.413 -8.746 1.00 1.97 H new ATOM 764 N GLN A 50 63.473 -8.065 -6.028 1.00 1.38 N ATOM 765 CA GLN A 50 63.247 -8.666 -4.680 1.00 1.26 C ATOM 766 C GLN A 50 61.760 -8.972 -4.478 1.00 1.19 C ATOM 767 O GLN A 50 60.930 -8.644 -5.303 1.00 1.25 O ATOM 768 CB GLN A 50 63.715 -7.603 -3.688 1.00 1.39 C ATOM 769 CG GLN A 50 65.231 -7.701 -3.512 1.00 1.69 C ATOM 770 CD GLN A 50 65.906 -6.540 -4.244 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.240 -5.694 -4.809 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.208 -6.461 -4.260 1.00 2.76 N ATOM 0 H GLN A 50 63.012 -7.169 -6.188 1.00 1.38 H new ATOM 0 HA GLN A 50 63.784 -9.606 -4.553 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.443 -6.610 -4.047 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.217 -7.742 -2.728 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.487 -7.675 -2.453 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.593 -8.652 -3.904 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.768 -7.170 -3.786 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.666 -5.690 -4.746 1.00 2.76 H new ATOM 781 N ASN A 51 61.418 -9.597 -3.384 1.00 1.22 N ATOM 782 CA ASN A 51 59.985 -9.923 -3.128 1.00 1.29 C ATOM 783 C ASN A 51 59.714 -9.968 -1.620 1.00 1.25 C ATOM 784 O ASN A 51 59.266 -10.969 -1.099 1.00 1.41 O ATOM 785 CB ASN A 51 59.777 -11.303 -3.755 1.00 1.54 C ATOM 786 CG ASN A 51 60.762 -12.297 -3.141 1.00 1.88 C ATOM 787 OD1 ASN A 51 61.578 -11.933 -2.316 1.00 2.25 O ATOM 788 ND2 ASN A 51 60.724 -13.548 -3.510 1.00 2.57 N ATOM 0 H ASN A 51 62.068 -9.896 -2.657 1.00 1.22 H new ATOM 0 HA ASN A 51 59.309 -9.179 -3.548 1.00 1.29 H new ATOM 0 HB2 ASN A 51 58.754 -11.639 -3.588 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.923 -11.250 -4.834 1.00 1.54 H new ATOM 0 HD21 ASN A 51 61.378 -14.219 -3.107 1.00 2.57 H new ATOM 0 HD22 ASN A 51 60.040 -13.855 -4.202 1.00 2.57 H new ATOM 795 N PRO A 52 60.002 -8.872 -0.970 1.00 1.15 N ATOM 796 CA PRO A 52 59.791 -8.777 0.495 1.00 1.20 C ATOM 797 C PRO A 52 58.298 -8.651 0.816 1.00 1.33 C ATOM 798 O PRO A 52 57.479 -8.459 -0.061 1.00 1.45 O ATOM 799 CB PRO A 52 60.537 -7.502 0.881 1.00 1.19 C ATOM 800 CG PRO A 52 60.572 -6.679 -0.367 1.00 1.20 C ATOM 801 CD PRO A 52 60.547 -7.633 -1.534 1.00 1.14 C ATOM 0 HA PRO A 52 60.144 -9.655 1.036 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.026 -6.975 1.687 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.544 -7.726 1.234 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.718 -6.003 -0.405 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.470 -6.061 -0.395 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.923 -7.256 -2.344 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.545 -7.787 -1.945 1.00 1.14 H new ATOM 809 N THR A 53 57.939 -8.756 2.066 1.00 1.39 N ATOM 810 CA THR A 53 56.500 -8.642 2.442 1.00 1.58 C ATOM 811 C THR A 53 56.189 -7.221 2.919 1.00 1.47 C ATOM 812 O THR A 53 57.083 -6.417 3.097 1.00 1.27 O ATOM 813 CB THR A 53 56.305 -9.644 3.579 1.00 1.77 C ATOM 814 OG1 THR A 53 57.548 -9.868 4.230 1.00 1.69 O ATOM 815 CG2 THR A 53 55.778 -10.963 3.014 1.00 1.97 C ATOM 0 H THR A 53 58.579 -8.916 2.844 1.00 1.39 H new ATOM 0 HA THR A 53 55.837 -8.847 1.601 1.00 1.58 H new ATOM 0 HB THR A 53 55.586 -9.245 4.295 1.00 1.77 H new ATOM 0 HG1 THR A 53 57.389 -10.082 5.173 1.00 1.69 H new ATOM 0 HG21 THR A 53 55.639 -11.677 3.826 1.00 1.97 H new ATOM 0 HG22 THR A 53 54.824 -10.790 2.516 1.00 1.97 H new ATOM 0 HG23 THR A 53 56.494 -11.364 2.297 1.00 1.97 H new ATOM 823 N PRO A 54 54.925 -6.962 3.111 1.00 1.64 N ATOM 824 CA PRO A 54 54.483 -5.624 3.574 1.00 1.63 C ATOM 825 C PRO A 54 54.835 -5.432 5.051 1.00 1.55 C ATOM 826 O PRO A 54 55.181 -4.350 5.482 1.00 1.47 O ATOM 827 CB PRO A 54 52.970 -5.658 3.374 1.00 1.92 C ATOM 828 CG PRO A 54 52.605 -7.107 3.419 1.00 2.08 C ATOM 829 CD PRO A 54 53.797 -7.881 2.918 1.00 1.93 C ATOM 0 HA PRO A 54 54.959 -4.803 3.038 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.456 -5.097 4.155 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.688 -5.210 2.421 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.350 -7.408 4.435 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.730 -7.303 2.799 1.00 2.08 H new ATOM 0 HD2 PRO A 54 53.936 -8.806 3.477 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.682 -8.157 1.870 1.00 1.93 H new ATOM 837 N GLU A 55 54.754 -6.476 5.829 1.00 1.61 N ATOM 838 CA GLU A 55 55.088 -6.355 7.278 1.00 1.58 C ATOM 839 C GLU A 55 56.597 -6.177 7.455 1.00 1.42 C ATOM 840 O GLU A 55 57.051 -5.279 8.136 1.00 1.36 O ATOM 841 CB GLU A 55 54.628 -7.672 7.903 1.00 1.74 C ATOM 842 CG GLU A 55 53.135 -7.589 8.232 1.00 2.16 C ATOM 843 CD GLU A 55 52.875 -8.241 9.590 1.00 2.56 C ATOM 844 OE1 GLU A 55 53.590 -9.172 9.926 1.00 2.83 O ATOM 845 OE2 GLU A 55 51.967 -7.798 10.273 1.00 3.10 O ATOM 0 H GLU A 55 54.471 -7.408 5.525 1.00 1.61 H new ATOM 0 HA GLU A 55 54.607 -5.494 7.743 1.00 1.58 H new ATOM 0 HB2 GLU A 55 54.814 -8.497 7.216 1.00 1.74 H new ATOM 0 HB3 GLU A 55 55.200 -7.876 8.808 1.00 1.74 H new ATOM 0 HG2 GLU A 55 52.813 -6.548 8.249 1.00 2.16 H new ATOM 0 HG3 GLU A 55 52.553 -8.090 7.459 1.00 2.16 H new ATOM 852 N GLU A 56 57.379 -7.025 6.846 1.00 1.38 N ATOM 853 CA GLU A 56 58.858 -6.901 6.979 1.00 1.26 C ATOM 854 C GLU A 56 59.326 -5.562 6.405 1.00 1.14 C ATOM 855 O GLU A 56 60.270 -4.965 6.884 1.00 1.07 O ATOM 856 CB GLU A 56 59.431 -8.062 6.166 1.00 1.32 C ATOM 857 CG GLU A 56 59.856 -9.189 7.110 1.00 2.10 C ATOM 858 CD GLU A 56 61.105 -8.764 7.884 1.00 2.79 C ATOM 859 OE1 GLU A 56 61.012 -7.816 8.646 1.00 3.18 O ATOM 860 OE2 GLU A 56 62.133 -9.394 7.702 1.00 3.40 O ATOM 0 H GLU A 56 57.058 -7.798 6.263 1.00 1.38 H new ATOM 0 HA GLU A 56 59.184 -6.935 8.019 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.686 -8.427 5.460 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.286 -7.723 5.581 1.00 1.32 H new ATOM 0 HG2 GLU A 56 59.047 -9.421 7.803 1.00 2.10 H new ATOM 0 HG3 GLU A 56 60.059 -10.097 6.541 1.00 2.10 H new ATOM 867 N LEU A 57 58.672 -5.084 5.381 1.00 1.17 N ATOM 868 CA LEU A 57 59.081 -3.783 4.778 1.00 1.13 C ATOM 869 C LEU A 57 59.368 -2.760 5.881 1.00 1.06 C ATOM 870 O LEU A 57 60.484 -2.310 6.048 1.00 1.02 O ATOM 871 CB LEU A 57 57.884 -3.341 3.935 1.00 1.24 C ATOM 872 CG LEU A 57 58.381 -2.575 2.707 1.00 1.41 C ATOM 873 CD1 LEU A 57 58.141 -3.414 1.451 1.00 1.93 C ATOM 874 CD2 LEU A 57 57.621 -1.253 2.588 1.00 1.87 C ATOM 0 H LEU A 57 57.874 -5.537 4.937 1.00 1.17 H new ATOM 0 HA LEU A 57 59.988 -3.871 4.180 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.303 -4.210 3.625 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.222 -2.710 4.527 1.00 1.24 H new ATOM 0 HG LEU A 57 59.447 -2.374 2.812 1.00 1.41 H new ATOM 0 HD11 LEU A 57 58.495 -2.869 0.576 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.682 -4.357 1.534 1.00 1.93 H new ATOM 0 HD13 LEU A 57 57.075 -3.615 1.346 1.00 1.93 H new ATOM 0 HD21 LEU A 57 57.975 -0.707 1.713 1.00 1.87 H new ATOM 0 HD22 LEU A 57 56.555 -1.454 2.483 1.00 1.87 H new ATOM 0 HD23 LEU A 57 57.791 -0.654 3.483 1.00 1.87 H new ATOM 886 N GLN A 58 58.370 -2.392 6.635 1.00 1.09 N ATOM 887 CA GLN A 58 58.588 -1.401 7.727 1.00 1.08 C ATOM 888 C GLN A 58 59.636 -1.926 8.711 1.00 1.04 C ATOM 889 O GLN A 58 60.535 -1.215 9.115 1.00 1.05 O ATOM 890 CB GLN A 58 57.230 -1.266 8.418 1.00 1.15 C ATOM 891 CG GLN A 58 57.133 0.098 9.108 1.00 1.39 C ATOM 892 CD GLN A 58 58.425 0.380 9.876 1.00 1.62 C ATOM 893 OE1 GLN A 58 58.701 -0.251 10.877 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.234 1.310 9.448 1.00 1.88 N ATOM 0 H GLN A 58 57.413 -2.734 6.543 1.00 1.09 H new ATOM 0 HA GLN A 58 58.951 -0.445 7.350 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.428 -1.372 7.688 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.103 -2.064 9.150 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.961 0.879 8.368 1.00 1.39 H new ATOM 0 HG3 GLN A 58 56.283 0.112 9.790 1.00 1.39 H new ATOM 0 HE21 GLN A 58 59.003 1.840 8.608 1.00 1.88 H new ATOM 0 HE22 GLN A 58 60.098 1.507 9.954 1.00 1.88 H new ATOM 903 N GLU A 59 59.526 -3.165 9.102 1.00 1.07 N ATOM 904 CA GLU A 59 60.513 -3.735 10.062 1.00 1.09 C ATOM 905 C GLU A 59 61.910 -3.762 9.433 1.00 1.07 C ATOM 906 O GLU A 59 62.908 -3.830 10.123 1.00 1.08 O ATOM 907 CB GLU A 59 60.021 -5.156 10.338 1.00 1.17 C ATOM 908 CG GLU A 59 59.093 -5.146 11.554 1.00 1.28 C ATOM 909 CD GLU A 59 58.364 -6.487 11.653 1.00 1.84 C ATOM 910 OE1 GLU A 59 58.614 -7.338 10.814 1.00 2.18 O ATOM 911 OE2 GLU A 59 57.569 -6.642 12.565 1.00 2.48 O ATOM 0 H GLU A 59 58.795 -3.808 8.798 1.00 1.07 H new ATOM 0 HA GLU A 59 60.589 -3.145 10.975 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.493 -5.545 9.467 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.868 -5.817 10.519 1.00 1.17 H new ATOM 0 HG2 GLU A 59 59.668 -4.965 12.462 1.00 1.28 H new ATOM 0 HG3 GLU A 59 58.371 -4.334 11.467 1.00 1.28 H new ATOM 918 N MET A 60 61.988 -3.709 8.132 1.00 1.08 N ATOM 919 CA MET A 60 63.321 -3.732 7.465 1.00 1.09 C ATOM 920 C MET A 60 63.938 -2.331 7.462 1.00 1.10 C ATOM 921 O MET A 60 65.088 -2.148 7.807 1.00 1.47 O ATOM 922 CB MET A 60 63.042 -4.198 6.034 1.00 1.09 C ATOM 923 CG MET A 60 64.282 -4.900 5.478 1.00 1.42 C ATOM 924 SD MET A 60 63.999 -6.688 5.440 1.00 1.89 S ATOM 925 CE MET A 60 64.760 -7.070 7.036 1.00 1.71 C ATOM 0 H MET A 60 61.188 -3.651 7.502 1.00 1.08 H new ATOM 0 HA MET A 60 64.026 -4.387 7.977 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.189 -4.877 6.021 1.00 1.09 H new ATOM 0 HB3 MET A 60 62.781 -3.346 5.407 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.500 -4.534 4.475 1.00 1.42 H new ATOM 0 HG3 MET A 60 65.150 -4.672 6.096 1.00 1.42 H new ATOM 0 HE1 MET A 60 64.874 -8.149 7.136 1.00 1.71 H new ATOM 0 HE2 MET A 60 65.739 -6.595 7.095 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.126 -6.697 7.840 1.00 1.71 H new ATOM 935 N ILE A 61 63.182 -1.340 7.073 1.00 0.91 N ATOM 936 CA ILE A 61 63.728 0.047 7.046 1.00 0.95 C ATOM 937 C ILE A 61 63.924 0.566 8.473 1.00 0.94 C ATOM 938 O ILE A 61 64.721 1.449 8.717 1.00 1.06 O ATOM 939 CB ILE A 61 62.673 0.875 6.314 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.655 0.482 4.834 1.00 1.35 C ATOM 941 CG2 ILE A 61 63.011 2.361 6.443 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.437 1.109 4.154 1.00 1.56 C ATOM 0 H ILE A 61 62.211 -1.431 6.773 1.00 0.91 H new ATOM 0 HA ILE A 61 64.699 0.099 6.553 1.00 0.95 H new ATOM 0 HB ILE A 61 61.693 0.687 6.753 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.570 0.818 4.346 1.00 1.35 H new ATOM 0 HG13 ILE A 61 62.621 -0.603 4.735 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.259 2.952 5.921 1.00 1.55 H new ATOM 0 HG22 ILE A 61 63.025 2.641 7.496 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.990 2.551 6.004 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.424 0.829 3.101 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.527 0.751 4.636 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.490 2.194 4.241 1.00 1.56 H new ATOM 954 N ASP A 62 63.205 0.024 9.417 1.00 1.09 N ATOM 955 CA ASP A 62 63.354 0.489 10.826 1.00 1.09 C ATOM 956 C ASP A 62 64.566 -0.180 11.480 1.00 1.11 C ATOM 957 O ASP A 62 64.773 -0.078 12.672 1.00 1.24 O ATOM 958 CB ASP A 62 62.064 0.056 11.523 1.00 1.22 C ATOM 959 CG ASP A 62 62.099 0.505 12.986 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.754 1.494 13.265 1.00 1.87 O ATOM 961 OD2 ASP A 62 61.470 -0.151 13.800 1.00 1.91 O ATOM 0 H ASP A 62 62.522 -0.720 9.275 1.00 1.09 H new ATOM 0 HA ASP A 62 63.513 1.565 10.890 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.202 0.491 11.018 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.953 -1.027 11.466 1.00 1.22 H new ATOM 966 N GLU A 63 65.366 -0.865 10.709 1.00 1.18 N ATOM 967 CA GLU A 63 66.559 -1.542 11.292 1.00 1.31 C ATOM 968 C GLU A 63 67.846 -0.838 10.854 1.00 1.18 C ATOM 969 O GLU A 63 68.841 -0.860 11.552 1.00 1.41 O ATOM 970 CB GLU A 63 66.515 -2.964 10.735 1.00 1.50 C ATOM 971 CG GLU A 63 66.228 -3.946 11.872 1.00 1.93 C ATOM 972 CD GLU A 63 66.491 -5.375 11.392 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.741 -5.546 10.210 1.00 2.24 O ATOM 974 OE2 GLU A 63 66.437 -6.274 12.215 1.00 2.33 O ATOM 0 H GLU A 63 65.246 -0.985 9.703 1.00 1.18 H new ATOM 0 HA GLU A 63 66.547 -1.525 12.382 1.00 1.31 H new ATOM 0 HB2 GLU A 63 65.744 -3.042 9.969 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.464 -3.209 10.259 1.00 1.50 H new ATOM 0 HG2 GLU A 63 66.859 -3.718 12.731 1.00 1.93 H new ATOM 0 HG3 GLU A 63 65.193 -3.846 12.200 1.00 1.93 H new ATOM 981 N VAL A 64 67.843 -0.219 9.704 1.00 0.93 N ATOM 982 CA VAL A 64 69.078 0.473 9.235 1.00 0.92 C ATOM 983 C VAL A 64 68.939 1.993 9.391 1.00 0.95 C ATOM 984 O VAL A 64 69.898 2.682 9.672 1.00 1.37 O ATOM 985 CB VAL A 64 69.223 0.078 7.761 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.318 0.954 6.889 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.678 0.262 7.327 1.00 1.51 C ATOM 0 H VAL A 64 67.044 -0.163 9.072 1.00 0.93 H new ATOM 0 HA VAL A 64 69.955 0.187 9.815 1.00 0.92 H new ATOM 0 HB VAL A 64 68.931 -0.965 7.642 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.429 0.665 5.844 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.280 0.821 7.194 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.600 2.000 7.008 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.783 -0.018 6.279 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.966 1.305 7.454 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.323 -0.370 7.938 1.00 1.51 H new ATOM 997 N ASP A 65 67.757 2.519 9.209 1.00 0.96 N ATOM 998 CA ASP A 65 67.570 3.994 9.350 1.00 1.02 C ATOM 999 C ASP A 65 68.343 4.506 10.568 1.00 1.06 C ATOM 1000 O ASP A 65 67.899 4.386 11.693 1.00 1.22 O ATOM 1001 CB ASP A 65 66.068 4.192 9.550 1.00 1.24 C ATOM 1002 CG ASP A 65 65.588 5.362 8.691 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.247 5.660 7.707 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.570 5.942 9.030 1.00 1.96 O ATOM 0 H ASP A 65 66.916 1.994 8.970 1.00 0.96 H new ATOM 0 HA ASP A 65 67.938 4.540 8.482 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.531 3.283 9.278 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.853 4.386 10.601 1.00 1.24 H new ATOM 1009 N GLU A 66 69.499 5.071 10.353 1.00 1.15 N ATOM 1010 CA GLU A 66 70.301 5.585 11.501 1.00 1.37 C ATOM 1011 C GLU A 66 69.763 6.942 11.963 1.00 1.34 C ATOM 1012 O GLU A 66 70.303 7.562 12.858 1.00 1.62 O ATOM 1013 CB GLU A 66 71.722 5.725 10.956 1.00 1.74 C ATOM 1014 CG GLU A 66 72.408 4.357 10.964 1.00 1.95 C ATOM 1015 CD GLU A 66 73.922 4.544 10.851 1.00 2.73 C ATOM 1016 OE1 GLU A 66 74.448 5.389 11.555 1.00 3.39 O ATOM 1017 OE2 GLU A 66 74.530 3.839 10.062 1.00 3.12 O ATOM 0 H GLU A 66 69.923 5.199 9.434 1.00 1.15 H new ATOM 0 HA GLU A 66 70.258 4.921 12.365 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.697 6.125 9.942 1.00 1.74 H new ATOM 0 HB3 GLU A 66 72.288 6.431 11.563 1.00 1.74 H new ATOM 0 HG2 GLU A 66 72.165 3.822 11.882 1.00 1.95 H new ATOM 0 HG3 GLU A 66 72.043 3.751 10.135 1.00 1.95 H new ATOM 1024 N ASP A 67 68.704 7.410 11.360 1.00 1.42 N ATOM 1025 CA ASP A 67 68.137 8.727 11.769 1.00 1.67 C ATOM 1026 C ASP A 67 66.660 8.578 12.142 1.00 1.70 C ATOM 1027 O ASP A 67 65.991 9.539 12.465 1.00 2.12 O ATOM 1028 CB ASP A 67 68.292 9.627 10.542 1.00 2.50 C ATOM 1029 CG ASP A 67 67.377 9.126 9.423 1.00 3.17 C ATOM 1030 OD1 ASP A 67 66.777 8.079 9.599 1.00 3.83 O ATOM 1031 OD2 ASP A 67 67.292 9.799 8.409 1.00 3.45 O ATOM 0 H ASP A 67 68.208 6.939 10.604 1.00 1.42 H new ATOM 0 HA ASP A 67 68.644 9.138 12.642 1.00 1.67 H new ATOM 0 HB2 ASP A 67 68.041 10.656 10.799 1.00 2.50 H new ATOM 0 HB3 ASP A 67 69.329 9.626 10.206 1.00 2.50 H new ATOM 1036 N GLY A 68 66.145 7.379 12.102 1.00 1.77 N ATOM 1037 CA GLY A 68 64.711 7.172 12.454 1.00 2.43 C ATOM 1038 C GLY A 68 63.857 8.235 11.762 1.00 2.01 C ATOM 1039 O GLY A 68 62.907 8.744 12.322 1.00 2.65 O ATOM 0 H GLY A 68 66.655 6.535 11.841 1.00 1.77 H new ATOM 0 HA2 GLY A 68 64.390 6.176 12.147 1.00 2.43 H new ATOM 0 HA3 GLY A 68 64.579 7.231 13.534 1.00 2.43 H new ATOM 1043 N SER A 69 64.189 8.577 10.546 1.00 1.59 N ATOM 1044 CA SER A 69 63.396 9.608 9.818 1.00 1.99 C ATOM 1045 C SER A 69 62.095 9.000 9.288 1.00 1.42 C ATOM 1046 O SER A 69 61.079 9.661 9.205 1.00 1.97 O ATOM 1047 CB SER A 69 64.292 10.051 8.662 1.00 2.89 C ATOM 1048 OG SER A 69 65.004 8.926 8.163 1.00 3.53 O ATOM 0 H SER A 69 64.975 8.187 10.026 1.00 1.59 H new ATOM 0 HA SER A 69 63.115 10.443 10.460 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.690 10.496 7.870 1.00 2.89 H new ATOM 0 HB3 SER A 69 64.990 10.817 9.000 1.00 2.89 H new ATOM 0 HG SER A 69 65.814 9.229 7.703 1.00 3.53 H new ATOM 1054 N GLY A 70 62.120 7.746 8.928 1.00 1.23 N ATOM 1055 CA GLY A 70 60.885 7.099 8.401 1.00 1.51 C ATOM 1056 C GLY A 70 61.112 6.672 6.949 1.00 1.28 C ATOM 1057 O GLY A 70 60.494 5.747 6.460 1.00 1.42 O ATOM 0 H GLY A 70 62.941 7.142 8.976 1.00 1.23 H new ATOM 0 HA2 GLY A 70 60.627 6.232 9.010 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.045 7.791 8.461 1.00 1.51 H new ATOM 1061 N THR A 71 61.993 7.339 6.257 1.00 1.12 N ATOM 1062 CA THR A 71 62.259 6.973 4.836 1.00 0.98 C ATOM 1063 C THR A 71 63.690 6.454 4.682 1.00 0.88 C ATOM 1064 O THR A 71 64.519 6.623 5.553 1.00 0.92 O ATOM 1065 CB THR A 71 62.075 8.272 4.051 1.00 1.11 C ATOM 1066 OG1 THR A 71 62.902 9.282 4.611 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.612 8.711 4.121 1.00 1.34 C ATOM 0 H THR A 71 62.541 8.122 6.613 1.00 1.12 H new ATOM 0 HA THR A 71 61.595 6.184 4.483 1.00 0.98 H new ATOM 0 HB THR A 71 62.353 8.110 3.010 1.00 1.11 H new ATOM 0 HG1 THR A 71 62.571 10.164 4.340 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.483 9.637 3.561 1.00 1.34 H new ATOM 0 HG22 THR A 71 59.978 7.935 3.691 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.330 8.874 5.161 1.00 1.34 H new ATOM 1075 N VAL A 72 63.987 5.826 3.578 1.00 0.83 N ATOM 1076 CA VAL A 72 65.367 5.301 3.368 1.00 0.76 C ATOM 1077 C VAL A 72 66.176 6.287 2.521 1.00 0.68 C ATOM 1078 O VAL A 72 65.853 6.549 1.380 1.00 0.72 O ATOM 1079 CB VAL A 72 65.188 3.975 2.623 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.459 3.136 2.769 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.004 3.204 3.213 1.00 1.02 C ATOM 0 H VAL A 72 63.335 5.653 2.813 1.00 0.83 H new ATOM 0 HA VAL A 72 65.904 5.165 4.307 1.00 0.76 H new ATOM 0 HB VAL A 72 64.998 4.178 1.569 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.334 2.191 2.240 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.304 3.680 2.347 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.645 2.938 3.825 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.881 2.262 2.679 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.191 3.002 4.268 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.096 3.799 3.113 1.00 1.02 H new ATOM 1091 N ASP A 73 67.223 6.838 3.072 1.00 0.72 N ATOM 1092 CA ASP A 73 68.046 7.809 2.296 1.00 0.76 C ATOM 1093 C ASP A 73 69.133 7.072 1.512 1.00 0.83 C ATOM 1094 O ASP A 73 69.453 5.934 1.795 1.00 1.49 O ATOM 1095 CB ASP A 73 68.673 8.727 3.346 1.00 0.98 C ATOM 1096 CG ASP A 73 69.144 10.021 2.680 1.00 1.30 C ATOM 1097 OD1 ASP A 73 70.222 10.012 2.109 1.00 1.89 O ATOM 1098 OD2 ASP A 73 68.418 10.999 2.751 1.00 1.99 O ATOM 0 H ASP A 73 67.544 6.658 4.024 1.00 0.72 H new ATOM 0 HA ASP A 73 67.452 8.365 1.571 1.00 0.76 H new ATOM 0 HB2 ASP A 73 67.947 8.952 4.127 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.514 8.226 3.826 1.00 0.98 H new ATOM 1103 N PHE A 74 69.701 7.710 0.527 1.00 0.67 N ATOM 1104 CA PHE A 74 70.765 7.046 -0.278 1.00 0.64 C ATOM 1105 C PHE A 74 71.738 6.299 0.638 1.00 0.73 C ATOM 1106 O PHE A 74 71.872 5.093 0.566 1.00 0.87 O ATOM 1107 CB PHE A 74 71.480 8.186 -1.004 1.00 0.79 C ATOM 1108 CG PHE A 74 72.515 7.616 -1.943 1.00 0.86 C ATOM 1109 CD1 PHE A 74 73.702 7.079 -1.431 1.00 1.68 C ATOM 1110 CD2 PHE A 74 72.288 7.625 -3.324 1.00 1.33 C ATOM 1111 CE1 PHE A 74 74.662 6.548 -2.302 1.00 1.78 C ATOM 1112 CE2 PHE A 74 73.248 7.095 -4.194 1.00 1.45 C ATOM 1113 CZ PHE A 74 74.434 6.557 -3.683 1.00 1.20 C ATOM 0 H PHE A 74 69.474 8.663 0.244 1.00 0.67 H new ATOM 0 HA PHE A 74 70.358 6.311 -0.972 1.00 0.64 H new ATOM 0 HB2 PHE A 74 70.759 8.785 -1.561 1.00 0.79 H new ATOM 0 HB3 PHE A 74 71.955 8.849 -0.282 1.00 0.79 H new ATOM 0 HD1 PHE A 74 73.877 7.074 -0.365 1.00 1.68 H new ATOM 0 HD2 PHE A 74 71.373 8.041 -3.718 1.00 1.33 H new ATOM 0 HE1 PHE A 74 75.578 6.132 -1.908 1.00 1.78 H new ATOM 0 HE2 PHE A 74 73.073 7.101 -5.260 1.00 1.45 H new ATOM 0 HZ PHE A 74 75.174 6.148 -4.355 1.00 1.20 H new ATOM 1123 N ASP A 75 72.420 7.006 1.499 1.00 0.94 N ATOM 1124 CA ASP A 75 73.384 6.335 2.418 1.00 1.11 C ATOM 1125 C ASP A 75 72.695 5.194 3.174 1.00 0.90 C ATOM 1126 O ASP A 75 73.242 4.121 3.330 1.00 0.94 O ATOM 1127 CB ASP A 75 73.838 7.432 3.384 1.00 1.45 C ATOM 1128 CG ASP A 75 72.748 7.690 4.428 1.00 2.16 C ATOM 1129 OD1 ASP A 75 71.751 8.298 4.077 1.00 2.78 O ATOM 1130 OD2 ASP A 75 72.929 7.272 5.559 1.00 2.66 O ATOM 0 H ASP A 75 72.351 8.018 1.605 1.00 0.94 H new ATOM 0 HA ASP A 75 74.224 5.891 1.884 1.00 1.11 H new ATOM 0 HB2 ASP A 75 74.763 7.134 3.877 1.00 1.45 H new ATOM 0 HB3 ASP A 75 74.051 8.348 2.833 1.00 1.45 H new ATOM 1135 N GLU A 76 71.498 5.420 3.644 1.00 0.81 N ATOM 1136 CA GLU A 76 70.775 4.350 4.391 1.00 0.76 C ATOM 1137 C GLU A 76 70.343 3.237 3.433 1.00 0.62 C ATOM 1138 O GLU A 76 70.633 2.076 3.643 1.00 0.61 O ATOM 1139 CB GLU A 76 69.551 5.044 4.990 1.00 0.93 C ATOM 1140 CG GLU A 76 69.971 5.843 6.226 1.00 1.09 C ATOM 1141 CD GLU A 76 68.809 6.729 6.678 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.040 7.143 5.826 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.707 6.980 7.868 1.00 2.25 O ATOM 0 H GLU A 76 70.990 6.298 3.543 1.00 0.81 H new ATOM 0 HA GLU A 76 71.398 3.888 5.157 1.00 0.76 H new ATOM 0 HB2 GLU A 76 69.098 5.706 4.252 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.797 4.305 5.261 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.260 5.166 7.030 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.843 6.456 5.997 1.00 1.09 H new ATOM 1150 N PHE A 77 69.649 3.584 2.385 1.00 0.59 N ATOM 1151 CA PHE A 77 69.193 2.551 1.411 1.00 0.57 C ATOM 1152 C PHE A 77 70.317 1.550 1.129 1.00 0.59 C ATOM 1153 O PHE A 77 70.124 0.352 1.188 1.00 0.71 O ATOM 1154 CB PHE A 77 68.840 3.335 0.147 1.00 0.62 C ATOM 1155 CG PHE A 77 68.394 2.379 -0.933 1.00 0.72 C ATOM 1156 CD1 PHE A 77 69.345 1.747 -1.741 1.00 1.51 C ATOM 1157 CD2 PHE A 77 67.031 2.127 -1.128 1.00 1.42 C ATOM 1158 CE1 PHE A 77 68.934 0.860 -2.744 1.00 1.76 C ATOM 1159 CE2 PHE A 77 66.619 1.240 -2.130 1.00 1.60 C ATOM 1160 CZ PHE A 77 67.572 0.607 -2.939 1.00 1.37 C ATOM 0 H PHE A 77 69.377 4.541 2.160 1.00 0.59 H new ATOM 0 HA PHE A 77 68.347 1.974 1.785 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.048 4.053 0.361 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.704 3.906 -0.193 1.00 0.62 H new ATOM 0 HD1 PHE A 77 70.396 1.943 -1.591 1.00 1.51 H new ATOM 0 HD2 PHE A 77 66.297 2.617 -0.505 1.00 1.42 H new ATOM 0 HE1 PHE A 77 69.669 0.371 -3.367 1.00 1.76 H new ATOM 0 HE2 PHE A 77 65.567 1.044 -2.279 1.00 1.60 H new ATOM 0 HZ PHE A 77 67.255 -0.076 -3.713 1.00 1.37 H new ATOM 1170 N LEU A 78 71.492 2.030 0.818 1.00 0.57 N ATOM 1171 CA LEU A 78 72.622 1.100 0.530 1.00 0.62 C ATOM 1172 C LEU A 78 72.716 0.024 1.614 1.00 0.61 C ATOM 1173 O LEU A 78 72.494 -1.144 1.364 1.00 0.68 O ATOM 1174 CB LEU A 78 73.875 1.977 0.535 1.00 0.66 C ATOM 1175 CG LEU A 78 74.206 2.408 -0.895 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.529 3.174 -0.905 1.00 1.10 C ATOM 1177 CD2 LEU A 78 74.329 1.170 -1.786 1.00 1.34 C ATOM 0 H LEU A 78 71.717 3.023 0.751 1.00 0.57 H new ATOM 0 HA LEU A 78 72.493 0.582 -0.420 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.715 2.854 1.162 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.714 1.428 0.963 1.00 0.66 H new ATOM 0 HG LEU A 78 73.411 3.051 -1.272 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.764 3.481 -1.924 1.00 1.10 H new ATOM 0 HD12 LEU A 78 75.443 4.057 -0.271 1.00 1.10 H new ATOM 0 HD13 LEU A 78 76.324 2.532 -0.527 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.565 1.477 -2.805 1.00 1.34 H new ATOM 0 HD22 LEU A 78 75.124 0.527 -1.408 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.386 0.623 -1.781 1.00 1.34 H new ATOM 1189 N VAL A 79 73.042 0.407 2.818 1.00 0.64 N ATOM 1190 CA VAL A 79 73.149 -0.599 3.914 1.00 0.68 C ATOM 1191 C VAL A 79 71.917 -1.507 3.909 1.00 0.78 C ATOM 1192 O VAL A 79 71.968 -2.643 4.338 1.00 0.92 O ATOM 1193 CB VAL A 79 73.211 0.219 5.204 1.00 0.73 C ATOM 1194 CG1 VAL A 79 73.329 -0.725 6.402 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.431 1.141 5.165 1.00 0.91 C ATOM 0 H VAL A 79 73.239 1.370 3.090 1.00 0.64 H new ATOM 0 HA VAL A 79 74.022 -1.242 3.804 1.00 0.68 H new ATOM 0 HB VAL A 79 72.304 0.816 5.298 1.00 0.73 H new ATOM 0 HG11 VAL A 79 73.373 -0.142 7.322 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.462 -1.385 6.432 1.00 1.15 H new ATOM 0 HG13 VAL A 79 74.236 -1.322 6.307 1.00 1.15 H new ATOM 0 HG21 VAL A 79 74.476 1.724 6.085 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.337 0.542 5.071 1.00 0.91 H new ATOM 0 HG23 VAL A 79 74.351 1.814 4.312 1.00 0.91 H new ATOM 1205 N MET A 80 70.810 -1.014 3.422 1.00 0.82 N ATOM 1206 CA MET A 80 69.578 -1.852 3.381 1.00 0.93 C ATOM 1207 C MET A 80 69.696 -2.890 2.265 1.00 0.92 C ATOM 1208 O MET A 80 69.279 -4.023 2.409 1.00 0.99 O ATOM 1209 CB MET A 80 68.440 -0.872 3.092 1.00 1.04 C ATOM 1210 CG MET A 80 67.385 -0.974 4.197 1.00 1.05 C ATOM 1211 SD MET A 80 66.289 -2.372 3.857 1.00 1.64 S ATOM 1212 CE MET A 80 65.096 -1.479 2.831 1.00 1.27 C ATOM 0 H MET A 80 70.706 -0.069 3.052 1.00 0.82 H new ATOM 0 HA MET A 80 69.412 -2.398 4.310 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.827 0.145 3.037 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.991 -1.095 2.124 1.00 1.04 H new ATOM 0 HG2 MET A 80 67.868 -1.104 5.165 1.00 1.05 H new ATOM 0 HG3 MET A 80 66.808 -0.051 4.250 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.108 -1.923 2.952 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.064 -0.433 3.137 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.396 -1.542 1.785 1.00 1.27 H new ATOM 1222 N MET A 81 70.270 -2.514 1.154 1.00 0.86 N ATOM 1223 CA MET A 81 70.427 -3.479 0.029 1.00 0.88 C ATOM 1224 C MET A 81 71.388 -4.598 0.437 1.00 0.90 C ATOM 1225 O MET A 81 71.037 -5.761 0.445 1.00 1.04 O ATOM 1226 CB MET A 81 71.015 -2.658 -1.117 1.00 0.86 C ATOM 1227 CG MET A 81 69.890 -2.192 -2.043 1.00 0.97 C ATOM 1228 SD MET A 81 69.137 -3.627 -2.848 1.00 1.31 S ATOM 1229 CE MET A 81 67.456 -2.969 -2.957 1.00 0.93 C ATOM 0 H MET A 81 70.637 -1.579 0.977 1.00 0.86 H new ATOM 0 HA MET A 81 69.485 -3.950 -0.252 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.555 -1.797 -0.722 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.735 -3.257 -1.675 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.139 -1.645 -1.473 1.00 0.97 H new ATOM 0 HG3 MET A 81 70.283 -1.506 -2.793 1.00 0.97 H new ATOM 0 HE1 MET A 81 66.780 -3.753 -3.299 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.138 -2.619 -1.975 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.435 -2.138 -3.663 1.00 0.93 H new ATOM 1239 N VAL A 82 72.600 -4.251 0.779 1.00 0.81 N ATOM 1240 CA VAL A 82 73.585 -5.292 1.194 1.00 0.87 C ATOM 1241 C VAL A 82 72.973 -6.190 2.274 1.00 0.93 C ATOM 1242 O VAL A 82 73.311 -7.351 2.394 1.00 1.06 O ATOM 1243 CB VAL A 82 74.783 -4.511 1.748 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.292 -3.346 2.610 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.650 -5.440 2.602 1.00 1.38 C ATOM 0 H VAL A 82 72.950 -3.293 0.789 1.00 0.81 H new ATOM 0 HA VAL A 82 73.877 -5.942 0.369 1.00 0.87 H new ATOM 0 HB VAL A 82 75.370 -4.123 0.916 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.148 -2.796 3.000 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.677 -2.679 2.005 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.700 -3.732 3.440 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.501 -4.884 2.995 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.058 -5.831 3.430 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.009 -6.267 1.990 1.00 1.38 H new ATOM 1255 N ARG A 83 72.071 -5.663 3.057 1.00 0.92 N ATOM 1256 CA ARG A 83 71.436 -6.489 4.124 1.00 1.06 C ATOM 1257 C ARG A 83 70.662 -7.652 3.496 1.00 1.17 C ATOM 1258 O ARG A 83 70.914 -8.805 3.783 1.00 1.35 O ATOM 1259 CB ARG A 83 70.484 -5.538 4.851 1.00 1.12 C ATOM 1260 CG ARG A 83 71.200 -4.919 6.054 1.00 1.21 C ATOM 1261 CD ARG A 83 70.300 -3.864 6.700 1.00 1.42 C ATOM 1262 NE ARG A 83 70.409 -4.109 8.165 1.00 1.54 N ATOM 1263 CZ ARG A 83 70.956 -3.212 8.940 1.00 1.90 C ATOM 1264 NH1 ARG A 83 72.242 -2.994 8.880 1.00 2.73 N ATOM 1265 NH2 ARG A 83 70.219 -2.533 9.776 1.00 1.93 N ATOM 0 H ARG A 83 71.747 -4.697 3.004 1.00 0.92 H new ATOM 0 HA ARG A 83 72.169 -6.924 4.803 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.147 -4.754 4.172 1.00 1.12 H new ATOM 0 HB3 ARG A 83 69.596 -6.077 5.181 1.00 1.12 H new ATOM 0 HG2 ARG A 83 71.449 -5.693 6.780 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.139 -4.466 5.737 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.626 -2.856 6.443 1.00 1.42 H new ATOM 0 HD3 ARG A 83 69.269 -3.962 6.359 1.00 1.42 H new ATOM 0 HE ARG A 83 70.056 -4.979 8.563 1.00 1.54 H new ATOM 0 HH11 ARG A 83 72.819 -3.525 8.228 1.00 2.73 H new ATOM 0 HH12 ARG A 83 72.669 -2.293 9.486 1.00 2.73 H new ATOM 0 HH21 ARG A 83 69.214 -2.703 9.824 1.00 1.93 H new ATOM 0 HH22 ARG A 83 70.648 -1.832 10.381 1.00 1.93 H new ATOM 1279 N CYS A 84 69.720 -7.357 2.641 1.00 1.21 N ATOM 1280 CA CYS A 84 68.934 -8.447 1.995 1.00 1.46 C ATOM 1281 C CYS A 84 69.876 -9.479 1.370 1.00 1.52 C ATOM 1282 O CYS A 84 69.847 -10.645 1.709 1.00 1.97 O ATOM 1283 CB CYS A 84 68.103 -7.752 0.915 1.00 1.72 C ATOM 1284 SG CYS A 84 67.292 -8.998 -0.116 1.00 2.58 S ATOM 0 H CYS A 84 69.461 -6.410 2.363 1.00 1.21 H new ATOM 0 HA CYS A 84 68.307 -8.982 2.708 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.357 -7.104 1.376 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.742 -7.117 0.302 1.00 1.72 H new ATOM 0 HG CYS A 84 67.136 -8.531 -1.319 1.00 2.58 H new ATOM 1290 N MET A 85 70.714 -9.060 0.461 1.00 1.31 N ATOM 1291 CA MET A 85 71.658 -10.022 -0.180 1.00 1.51 C ATOM 1292 C MET A 85 72.769 -10.400 0.803 1.00 1.66 C ATOM 1293 O MET A 85 73.578 -11.267 0.539 1.00 2.46 O ATOM 1294 CB MET A 85 72.235 -9.276 -1.384 1.00 1.47 C ATOM 1295 CG MET A 85 73.067 -8.086 -0.903 1.00 1.57 C ATOM 1296 SD MET A 85 74.314 -7.679 -2.150 1.00 1.89 S ATOM 1297 CE MET A 85 73.640 -6.069 -2.625 1.00 1.57 C ATOM 0 H MET A 85 70.786 -8.096 0.135 1.00 1.31 H new ATOM 0 HA MET A 85 71.166 -10.948 -0.477 1.00 1.51 H new ATOM 0 HB2 MET A 85 72.854 -9.948 -1.978 1.00 1.47 H new ATOM 0 HB3 MET A 85 71.428 -8.930 -2.031 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.422 -7.226 -0.724 1.00 1.57 H new ATOM 0 HG3 MET A 85 73.549 -8.325 0.045 1.00 1.57 H new ATOM 0 HE1 MET A 85 74.051 -5.773 -3.590 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.555 -6.136 -2.698 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.908 -5.326 -1.873 1.00 1.57 H new