USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 517 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 67 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.77) USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot -100:sc= 1.53 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.707 K(o=0.83,f=-0.92) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 138:sc= 0.995 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.81 X(o=-2.8,f=-2.6) USER MOD Single : A 31 ASN : amide:sc= -0.533 K(o=-0.53,f=0.76) USER MOD Single : A 33 SER OG : rot 100:sc= 1.07 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= -0.012 (180deg=-0.102) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -122:sc= -0.395 (180deg=-1.72) USER MOD Single : A 57 ASN : amide:sc= -0.0763 X(o=-0.076,f=-0.029) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 171:sc= -1.27 USER MOD Single : A 68 SER OG : rot 60:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 159:sc= 1.82 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.03 X(o=-2,f=-2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -10.863 6.489 -4.245 1.00 1.46 N ATOM 2 CA GLY A 10 -10.647 6.319 -2.789 1.00 1.08 C ATOM 3 C GLY A 10 -11.130 4.970 -2.302 1.00 0.90 C ATOM 4 O GLY A 10 -12.041 4.383 -2.888 1.00 1.21 O ATOM 0 HA2 GLY A 10 -9.586 6.428 -2.564 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -11.170 7.109 -2.249 1.00 1.08 H new ATOM 8 N THR A 11 -10.523 4.471 -1.235 1.00 0.72 N ATOM 9 CA THR A 11 -10.872 3.185 -0.695 1.00 0.56 C ATOM 10 C THR A 11 -11.162 3.287 0.789 1.00 0.60 C ATOM 11 O THR A 11 -11.470 4.354 1.317 1.00 1.21 O ATOM 12 CB THR A 11 -9.723 2.185 -0.900 1.00 0.62 C ATOM 13 OG1 THR A 11 -8.561 2.864 -1.390 1.00 0.87 O ATOM 14 CG2 THR A 11 -10.137 1.069 -1.841 1.00 0.53 C ATOM 0 H THR A 11 -9.779 4.951 -0.728 1.00 0.72 H new ATOM 0 HA THR A 11 -11.763 2.838 -1.219 1.00 0.56 H new ATOM 0 HB THR A 11 -9.480 1.733 0.062 1.00 0.62 H new ATOM 0 HG1 THR A 11 -8.492 2.737 -2.359 1.00 0.87 H new ATOM 0 HG21 THR A 11 -9.307 0.375 -1.970 1.00 0.53 H new ATOM 0 HG22 THR A 11 -10.992 0.538 -1.422 1.00 0.53 H new ATOM 0 HG23 THR A 11 -10.410 1.491 -2.808 1.00 0.53 H new ATOM 22 N TYR A 12 -11.026 2.160 1.440 1.00 0.44 N ATOM 23 CA TYR A 12 -11.295 2.022 2.853 1.00 0.37 C ATOM 24 C TYR A 12 -10.140 1.281 3.494 1.00 0.37 C ATOM 25 O TYR A 12 -9.067 1.161 2.899 1.00 0.41 O ATOM 26 CB TYR A 12 -12.551 1.211 3.067 1.00 0.41 C ATOM 27 CG TYR A 12 -13.622 1.466 2.050 1.00 0.47 C ATOM 28 CD1 TYR A 12 -13.616 0.794 0.841 1.00 0.57 C ATOM 29 CD2 TYR A 12 -14.633 2.367 2.301 1.00 0.56 C ATOM 30 CE1 TYR A 12 -14.588 1.012 -0.096 1.00 0.67 C ATOM 31 CE2 TYR A 12 -15.622 2.598 1.368 1.00 0.64 C ATOM 32 CZ TYR A 12 -15.595 1.915 0.166 1.00 0.66 C ATOM 33 OH TYR A 12 -16.577 2.127 -0.773 1.00 0.79 O ATOM 0 H TYR A 12 -10.719 1.294 0.996 1.00 0.44 H new ATOM 0 HA TYR A 12 -11.420 3.012 3.292 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.294 0.152 3.051 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -12.947 1.428 4.059 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -12.829 0.084 0.633 1.00 0.57 H new ATOM 0 HD2 TYR A 12 -14.652 2.899 3.240 1.00 0.56 H new ATOM 0 HE1 TYR A 12 -14.566 0.480 -1.035 1.00 0.67 H new ATOM 0 HE2 TYR A 12 -16.411 3.306 1.574 1.00 0.64 H new ATOM 0 HH TYR A 12 -17.213 2.792 -0.436 1.00 0.79 H new ATOM 43 N ARG A 13 -10.376 0.756 4.683 1.00 0.38 N ATOM 44 CA ARG A 13 -9.455 -0.172 5.313 1.00 0.40 C ATOM 45 C ARG A 13 -10.148 -0.832 6.492 1.00 0.54 C ATOM 46 O ARG A 13 -10.693 -0.150 7.354 1.00 0.76 O ATOM 47 CB ARG A 13 -8.190 0.558 5.753 1.00 0.49 C ATOM 48 CG ARG A 13 -7.070 -0.345 6.247 1.00 0.61 C ATOM 49 CD ARG A 13 -7.015 -0.434 7.763 1.00 0.36 C ATOM 50 NE ARG A 13 -6.974 0.883 8.390 1.00 0.97 N ATOM 51 CZ ARG A 13 -6.782 1.078 9.692 1.00 0.99 C ATOM 52 NH1 ARG A 13 -6.609 0.041 10.503 1.00 1.29 N ATOM 53 NH2 ARG A 13 -6.760 2.312 10.180 1.00 1.67 N ATOM 0 H ARG A 13 -11.208 0.960 5.237 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.160 -0.943 4.601 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -7.819 1.149 4.915 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -8.449 1.259 6.547 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -7.205 -1.344 5.833 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.116 0.028 5.874 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.886 -0.980 8.125 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -6.135 -1.004 8.060 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.100 1.702 7.795 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -6.623 -0.908 10.128 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -6.462 0.193 11.501 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -6.890 3.109 9.557 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -6.613 2.463 11.178 1.00 1.67 H new ATOM 67 N GLY A 14 -10.160 -2.158 6.507 1.00 0.54 N ATOM 68 CA GLY A 14 -10.828 -2.869 7.580 1.00 0.68 C ATOM 69 C GLY A 14 -12.098 -3.561 7.135 1.00 0.77 C ATOM 70 O GLY A 14 -12.349 -4.715 7.482 1.00 1.39 O ATOM 0 H GLY A 14 -9.723 -2.751 5.801 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -10.145 -3.609 7.997 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.065 -2.168 8.380 1.00 0.68 H new ATOM 74 N ARG A 15 -12.885 -2.852 6.349 1.00 0.70 N ATOM 75 CA ARG A 15 -14.215 -3.304 5.940 1.00 0.80 C ATOM 76 C ARG A 15 -14.175 -4.356 4.828 1.00 0.91 C ATOM 77 O ARG A 15 -14.916 -4.268 3.848 1.00 1.43 O ATOM 78 CB ARG A 15 -15.046 -2.086 5.509 1.00 0.84 C ATOM 79 CG ARG A 15 -14.284 -1.111 4.626 1.00 0.83 C ATOM 80 CD ARG A 15 -14.340 -1.504 3.159 1.00 0.65 C ATOM 81 NE ARG A 15 -15.709 -1.457 2.647 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.062 -1.793 1.409 1.00 1.18 C ATOM 83 NH1 ARG A 15 -15.154 -2.225 0.545 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.325 -1.693 1.035 1.00 1.29 N ATOM 0 H ARG A 15 -12.625 -1.941 5.971 1.00 0.70 H new ATOM 0 HA ARG A 15 -14.679 -3.793 6.797 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -15.931 -2.431 4.975 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.395 -1.561 6.399 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -14.699 -0.111 4.749 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.244 -1.066 4.949 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -13.709 -0.833 2.576 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -13.937 -2.509 3.034 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.443 -1.145 3.282 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -14.177 -2.302 0.828 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -15.432 -2.481 -0.402 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -18.027 -1.359 1.695 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -17.598 -1.950 0.086 1.00 1.29 H new ATOM 98 N GLY A 16 -13.331 -5.365 4.994 1.00 0.78 N ATOM 99 CA GLY A 16 -13.195 -6.381 3.971 1.00 0.88 C ATOM 100 C GLY A 16 -12.662 -5.796 2.687 1.00 0.76 C ATOM 101 O GLY A 16 -12.985 -6.264 1.595 1.00 1.05 O ATOM 0 H GLY A 16 -12.741 -5.498 5.815 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -12.525 -7.166 4.322 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -14.163 -6.847 3.787 1.00 0.88 H new ATOM 105 N VAL A 17 -11.877 -4.736 2.839 1.00 0.43 N ATOM 106 CA VAL A 17 -11.305 -4.006 1.708 1.00 0.29 C ATOM 107 C VAL A 17 -10.719 -4.903 0.643 1.00 0.25 C ATOM 108 O VAL A 17 -9.980 -5.848 0.922 1.00 0.33 O ATOM 109 CB VAL A 17 -10.224 -3.012 2.148 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.873 -1.703 2.508 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.414 -3.573 3.309 1.00 0.26 C ATOM 0 H VAL A 17 -11.617 -4.356 3.749 1.00 0.43 H new ATOM 0 HA VAL A 17 -12.152 -3.470 1.279 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.529 -2.843 1.326 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.109 -0.992 2.822 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.402 -1.308 1.640 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.580 -1.859 3.323 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.653 -2.851 3.604 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.075 -3.769 4.153 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -8.933 -4.502 3.002 1.00 0.26 H new ATOM 121 N ALA A 18 -11.053 -4.569 -0.580 1.00 0.25 N ATOM 122 CA ALA A 18 -10.524 -5.260 -1.735 1.00 0.27 C ATOM 123 C ALA A 18 -9.506 -4.379 -2.425 1.00 0.23 C ATOM 124 O ALA A 18 -8.715 -4.856 -3.239 1.00 0.25 O ATOM 125 CB ALA A 18 -11.634 -5.654 -2.696 1.00 0.35 C ATOM 0 H ALA A 18 -11.698 -3.812 -0.804 1.00 0.25 H new ATOM 0 HA ALA A 18 -10.039 -6.178 -1.403 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -11.206 -6.172 -3.554 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.338 -6.314 -2.188 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -12.156 -4.759 -3.035 1.00 0.35 H new ATOM 131 N LEU A 19 -9.546 -3.079 -2.090 1.00 0.21 N ATOM 132 CA LEU A 19 -8.572 -2.117 -2.583 1.00 0.20 C ATOM 133 C LEU A 19 -8.678 -2.030 -4.121 1.00 0.25 C ATOM 134 O LEU A 19 -9.471 -2.757 -4.722 1.00 0.49 O ATOM 135 CB LEU A 19 -7.205 -2.577 -2.049 1.00 0.20 C ATOM 136 CG LEU A 19 -5.989 -1.692 -2.235 1.00 0.28 C ATOM 137 CD1 LEU A 19 -5.447 -1.793 -3.620 1.00 0.99 C ATOM 138 CD2 LEU A 19 -6.279 -0.259 -1.866 1.00 1.14 C ATOM 0 H LEU A 19 -10.253 -2.677 -1.474 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.742 -1.099 -2.234 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.317 -2.756 -0.980 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -6.982 -3.538 -2.511 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.221 -2.055 -1.552 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -4.576 -1.145 -3.718 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -5.157 -2.824 -3.823 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -6.211 -1.484 -4.333 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -5.382 0.343 -2.013 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -7.081 0.124 -2.497 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -6.584 -0.207 -0.821 1.00 1.14 H new ATOM 150 N THR A 20 -7.966 -1.115 -4.772 1.00 0.37 N ATOM 151 CA THR A 20 -7.917 -1.144 -6.221 1.00 0.37 C ATOM 152 C THR A 20 -7.282 -2.452 -6.700 1.00 0.35 C ATOM 153 O THR A 20 -6.565 -3.115 -5.950 1.00 0.44 O ATOM 154 CB THR A 20 -7.178 0.068 -6.848 1.00 0.48 C ATOM 155 OG1 THR A 20 -7.034 -0.124 -8.262 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.805 0.284 -6.226 1.00 0.45 C ATOM 0 H THR A 20 -7.431 -0.367 -4.331 1.00 0.37 H new ATOM 0 HA THR A 20 -8.950 -1.080 -6.561 1.00 0.37 H new ATOM 0 HB THR A 20 -7.781 0.954 -6.649 1.00 0.48 H new ATOM 0 HG1 THR A 20 -7.219 0.719 -8.727 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.324 1.142 -6.695 1.00 0.45 H new ATOM 0 HG22 THR A 20 -5.915 0.469 -5.157 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.192 -0.604 -6.380 1.00 0.45 H new ATOM 164 N ASP A 21 -7.550 -2.823 -7.930 1.00 0.35 N ATOM 165 CA ASP A 21 -7.152 -4.138 -8.429 1.00 0.37 C ATOM 166 C ASP A 21 -5.649 -4.372 -8.316 1.00 0.32 C ATOM 167 O ASP A 21 -5.210 -5.443 -7.877 1.00 0.37 O ATOM 168 CB ASP A 21 -7.603 -4.329 -9.877 1.00 0.44 C ATOM 169 CG ASP A 21 -9.107 -4.443 -9.998 1.00 1.28 C ATOM 170 OD1 ASP A 21 -9.647 -5.540 -9.747 1.00 1.65 O ATOM 171 OD2 ASP A 21 -9.758 -3.438 -10.351 1.00 2.15 O ATOM 0 H ASP A 21 -8.040 -2.242 -8.610 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.648 -4.875 -7.798 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -7.255 -3.489 -10.478 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -7.138 -5.227 -10.285 1.00 0.44 H new ATOM 176 N ASP A 22 -4.863 -3.367 -8.677 1.00 0.29 N ATOM 177 CA ASP A 22 -3.414 -3.527 -8.767 1.00 0.28 C ATOM 178 C ASP A 22 -2.748 -3.588 -7.391 1.00 0.22 C ATOM 179 O ASP A 22 -2.180 -4.617 -7.027 1.00 0.22 O ATOM 180 CB ASP A 22 -2.806 -2.385 -9.581 1.00 0.38 C ATOM 181 CG ASP A 22 -3.304 -2.349 -11.014 1.00 1.06 C ATOM 182 OD1 ASP A 22 -4.377 -1.760 -11.263 1.00 2.05 O ATOM 183 OD2 ASP A 22 -2.625 -2.914 -11.900 1.00 1.01 O ATOM 0 H ASP A 22 -5.201 -2.434 -8.912 1.00 0.29 H new ATOM 0 HA ASP A 22 -3.229 -4.478 -9.266 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -3.039 -1.437 -9.097 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -1.721 -2.484 -9.582 1.00 0.38 H new ATOM 188 N GLU A 23 -2.832 -2.489 -6.635 1.00 0.23 N ATOM 189 CA GLU A 23 -2.130 -2.366 -5.345 1.00 0.24 C ATOM 190 C GLU A 23 -2.366 -3.555 -4.411 1.00 0.17 C ATOM 191 O GLU A 23 -1.482 -3.924 -3.650 1.00 0.17 O ATOM 192 CB GLU A 23 -2.517 -1.096 -4.610 1.00 0.34 C ATOM 193 CG GLU A 23 -2.376 0.159 -5.445 1.00 0.60 C ATOM 194 CD GLU A 23 -1.051 0.246 -6.172 1.00 1.17 C ATOM 195 OE1 GLU A 23 -0.001 0.283 -5.500 1.00 1.66 O ATOM 196 OE2 GLU A 23 -1.060 0.311 -7.416 1.00 2.01 O ATOM 0 H GLU A 23 -3.380 -1.668 -6.891 1.00 0.23 H new ATOM 0 HA GLU A 23 -1.072 -2.338 -5.607 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.550 -1.183 -4.272 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -1.897 -1.000 -3.718 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -3.186 0.196 -6.174 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -2.487 1.031 -4.800 1.00 0.60 H new ATOM 203 N TYR A 24 -3.560 -4.135 -4.449 1.00 0.13 N ATOM 204 CA TYR A 24 -3.893 -5.258 -3.577 1.00 0.12 C ATOM 205 C TYR A 24 -2.995 -6.462 -3.904 1.00 0.12 C ATOM 206 O TYR A 24 -2.284 -6.977 -3.043 1.00 0.14 O ATOM 207 CB TYR A 24 -5.384 -5.590 -3.741 1.00 0.12 C ATOM 208 CG TYR A 24 -5.927 -6.652 -2.795 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.703 -8.000 -3.046 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.689 -6.314 -1.670 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.206 -8.978 -2.212 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.197 -7.294 -0.838 1.00 0.14 C ATOM 213 CZ TYR A 24 -6.951 -8.621 -1.112 1.00 0.15 C ATOM 214 OH TYR A 24 -7.454 -9.598 -0.281 1.00 0.22 O ATOM 0 H TYR A 24 -4.314 -3.847 -5.073 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.713 -4.996 -2.534 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -5.960 -4.675 -3.601 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.554 -5.920 -4.766 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.124 -8.288 -3.911 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.882 -5.275 -1.450 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -6.015 -10.020 -2.422 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.786 -7.020 0.025 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.956 -9.180 0.449 1.00 0.22 H new ATOM 224 N ASP A 25 -3.049 -6.907 -5.149 1.00 0.14 N ATOM 225 CA ASP A 25 -2.116 -7.928 -5.643 1.00 0.18 C ATOM 226 C ASP A 25 -0.663 -7.518 -5.376 1.00 0.16 C ATOM 227 O ASP A 25 0.157 -8.321 -4.921 1.00 0.17 O ATOM 228 CB ASP A 25 -2.318 -8.159 -7.139 1.00 0.25 C ATOM 229 CG ASP A 25 -1.476 -9.307 -7.666 1.00 1.04 C ATOM 230 OD1 ASP A 25 -1.956 -10.459 -7.653 1.00 1.80 O ATOM 231 OD2 ASP A 25 -0.331 -9.067 -8.095 1.00 1.58 O ATOM 0 H ASP A 25 -3.725 -6.583 -5.841 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.322 -8.855 -5.107 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -3.371 -8.365 -7.333 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -2.066 -7.248 -7.682 1.00 0.25 H new ATOM 236 N GLU A 26 -0.362 -6.257 -5.644 1.00 0.15 N ATOM 237 CA GLU A 26 0.976 -5.716 -5.424 1.00 0.15 C ATOM 238 C GLU A 26 1.361 -5.741 -3.939 1.00 0.12 C ATOM 239 O GLU A 26 2.543 -5.761 -3.602 1.00 0.12 O ATOM 240 CB GLU A 26 1.059 -4.293 -5.963 1.00 0.22 C ATOM 241 CG GLU A 26 0.927 -4.195 -7.476 1.00 0.50 C ATOM 242 CD GLU A 26 2.085 -4.835 -8.222 1.00 0.65 C ATOM 243 OE1 GLU A 26 2.082 -6.072 -8.388 1.00 1.27 O ATOM 244 OE2 GLU A 26 3.016 -4.109 -8.624 1.00 0.59 O ATOM 0 H GLU A 26 -1.030 -5.582 -6.017 1.00 0.15 H new ATOM 0 HA GLU A 26 1.683 -6.349 -5.960 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.274 -3.694 -5.501 1.00 0.22 H new ATOM 0 HB3 GLU A 26 2.012 -3.857 -5.663 1.00 0.22 H new ATOM 0 HG2 GLU A 26 -0.003 -4.672 -7.784 1.00 0.50 H new ATOM 0 HG3 GLU A 26 0.856 -3.145 -7.761 1.00 0.50 H new ATOM 251 N TRP A 27 0.364 -5.730 -3.058 1.00 0.11 N ATOM 252 CA TRP A 27 0.591 -5.863 -1.618 1.00 0.10 C ATOM 253 C TRP A 27 1.207 -7.210 -1.306 1.00 0.10 C ATOM 254 O TRP A 27 2.076 -7.321 -0.442 1.00 0.11 O ATOM 255 CB TRP A 27 -0.723 -5.678 -0.848 1.00 0.10 C ATOM 256 CG TRP A 27 -0.876 -6.530 0.385 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.287 -6.360 1.617 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.708 -7.690 0.502 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.725 -7.332 2.479 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.593 -8.157 1.819 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.545 -8.377 -0.382 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.287 -9.270 2.274 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.230 -9.487 0.070 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.101 -9.921 1.391 1.00 0.16 C ATOM 0 H TRP A 27 -0.617 -5.630 -3.317 1.00 0.11 H new ATOM 0 HA TRP A 27 1.285 -5.084 -1.302 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.810 -4.631 -0.558 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.552 -5.892 -1.522 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.415 -5.578 1.867 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.448 -7.425 3.456 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.654 -8.044 -1.404 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.186 -9.610 3.294 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.875 -10.027 -0.607 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.655 -10.787 1.721 1.00 0.16 H new ATOM 275 N ARG A 28 0.764 -8.224 -2.027 1.00 0.12 N ATOM 276 CA ARG A 28 1.313 -9.553 -1.868 1.00 0.13 C ATOM 277 C ARG A 28 2.811 -9.527 -2.177 1.00 0.13 C ATOM 278 O ARG A 28 3.614 -10.196 -1.514 1.00 0.15 O ATOM 279 CB ARG A 28 0.571 -10.537 -2.774 1.00 0.16 C ATOM 280 CG ARG A 28 -0.941 -10.470 -2.614 1.00 0.19 C ATOM 281 CD ARG A 28 -1.627 -11.665 -3.253 1.00 0.53 C ATOM 282 NE ARG A 28 -1.424 -11.709 -4.701 1.00 1.32 N ATOM 283 CZ ARG A 28 -1.088 -12.809 -5.377 1.00 1.90 C ATOM 284 NH1 ARG A 28 -0.859 -13.951 -4.736 1.00 1.88 N ATOM 285 NH2 ARG A 28 -0.977 -12.762 -6.697 1.00 2.63 N ATOM 0 H ARG A 28 0.026 -8.150 -2.727 1.00 0.12 H new ATOM 0 HA ARG A 28 1.182 -9.886 -0.838 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.830 -10.332 -3.813 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.909 -11.550 -2.555 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.193 -10.429 -1.554 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.314 -9.551 -3.066 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.245 -12.583 -2.806 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.695 -11.626 -3.038 1.00 0.53 H new ATOM 0 HE ARG A 28 -1.547 -10.844 -5.227 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -0.940 -13.991 -3.720 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -0.603 -14.788 -5.260 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -1.148 -11.887 -7.192 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -0.720 -13.601 -7.217 1.00 2.63 H new ATOM 299 N GLU A 29 3.191 -8.715 -3.162 1.00 0.13 N ATOM 300 CA GLU A 29 4.605 -8.500 -3.462 1.00 0.14 C ATOM 301 C GLU A 29 5.254 -7.602 -2.405 1.00 0.12 C ATOM 302 O GLU A 29 6.415 -7.791 -2.058 1.00 0.13 O ATOM 303 CB GLU A 29 4.795 -7.894 -4.854 1.00 0.17 C ATOM 304 CG GLU A 29 6.256 -7.793 -5.262 1.00 0.22 C ATOM 305 CD GLU A 29 6.440 -7.524 -6.739 1.00 0.62 C ATOM 306 OE1 GLU A 29 6.235 -8.451 -7.549 1.00 0.84 O ATOM 307 OE2 GLU A 29 6.765 -6.373 -7.098 1.00 0.97 O ATOM 0 H GLU A 29 2.546 -8.199 -3.761 1.00 0.13 H new ATOM 0 HA GLU A 29 5.094 -9.474 -3.445 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.260 -8.501 -5.585 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.347 -6.900 -4.876 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.733 -6.996 -4.691 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.765 -8.721 -5.001 1.00 0.22 H new ATOM 314 N HIS A 30 4.511 -6.604 -1.930 1.00 0.12 N ATOM 315 CA HIS A 30 4.950 -5.774 -0.800 1.00 0.11 C ATOM 316 C HIS A 30 5.409 -6.650 0.361 1.00 0.12 C ATOM 317 O HIS A 30 6.392 -6.332 1.029 1.00 0.13 O ATOM 318 CB HIS A 30 3.820 -4.827 -0.348 1.00 0.11 C ATOM 319 CG HIS A 30 4.120 -4.020 0.893 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.169 -3.731 1.854 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.255 -3.412 1.309 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.712 -2.976 2.798 1.00 0.11 C ATOM 323 NE2 HIS A 30 4.975 -2.771 2.489 1.00 0.13 N ATOM 0 H HIS A 30 3.599 -6.347 -2.308 1.00 0.12 H new ATOM 0 HA HIS A 30 5.794 -5.168 -1.129 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.594 -4.140 -1.164 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.921 -5.417 -0.170 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.209 -3.428 0.803 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.205 -2.594 3.672 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.638 -2.224 3.038 1.00 0.13 H new ATOM 332 N ASN A 31 4.691 -7.745 0.587 1.00 0.14 N ATOM 333 CA ASN A 31 5.074 -8.730 1.594 1.00 0.17 C ATOM 334 C ASN A 31 6.483 -9.232 1.327 1.00 0.16 C ATOM 335 O ASN A 31 7.345 -9.205 2.206 1.00 0.18 O ATOM 336 CB ASN A 31 4.105 -9.916 1.595 1.00 0.23 C ATOM 337 CG ASN A 31 2.816 -9.633 2.337 1.00 0.88 C ATOM 338 OD1 ASN A 31 1.866 -9.092 1.776 1.00 1.78 O ATOM 339 ND2 ASN A 31 2.758 -10.030 3.599 1.00 1.54 N ATOM 0 H ASN A 31 3.835 -7.974 0.083 1.00 0.14 H new ATOM 0 HA ASN A 31 5.038 -8.245 2.569 1.00 0.17 H new ATOM 0 HB2 ASN A 31 3.872 -10.187 0.565 1.00 0.23 H new ATOM 0 HB3 ASN A 31 4.596 -10.777 2.048 1.00 0.23 H new ATOM 0 HD21 ASN A 31 1.904 -9.890 4.139 1.00 1.54 H new ATOM 0 HD22 ASN A 31 3.567 -10.476 4.031 1.00 1.54 H new ATOM 346 N ALA A 32 6.704 -9.660 0.094 1.00 0.17 N ATOM 347 CA ALA A 32 7.991 -10.197 -0.318 1.00 0.18 C ATOM 348 C ALA A 32 9.086 -9.136 -0.316 1.00 0.16 C ATOM 349 O ALA A 32 10.069 -9.247 0.412 1.00 0.19 O ATOM 350 CB ALA A 32 7.874 -10.790 -1.704 1.00 0.19 C ATOM 0 H ALA A 32 6.001 -9.645 -0.645 1.00 0.17 H new ATOM 0 HA ALA A 32 8.270 -10.965 0.403 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.840 -11.192 -2.011 1.00 0.19 H new ATOM 0 HB2 ALA A 32 7.134 -11.590 -1.696 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.564 -10.016 -2.406 1.00 0.19 H new ATOM 356 N SER A 33 8.903 -8.108 -1.135 1.00 0.13 N ATOM 357 CA SER A 33 9.938 -7.108 -1.381 1.00 0.14 C ATOM 358 C SER A 33 10.401 -6.400 -0.105 1.00 0.18 C ATOM 359 O SER A 33 11.586 -6.086 0.040 1.00 0.27 O ATOM 360 CB SER A 33 9.431 -6.085 -2.397 1.00 0.13 C ATOM 361 OG SER A 33 10.462 -5.203 -2.800 1.00 0.17 O ATOM 0 H SER A 33 8.036 -7.943 -1.647 1.00 0.13 H new ATOM 0 HA SER A 33 10.806 -7.634 -1.778 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.032 -6.603 -3.269 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.611 -5.514 -1.962 1.00 0.13 H new ATOM 0 HG SER A 33 10.817 -5.489 -3.668 1.00 0.17 H new ATOM 367 N ARG A 34 9.483 -6.149 0.818 1.00 0.19 N ATOM 368 CA ARG A 34 9.838 -5.451 2.046 1.00 0.23 C ATOM 369 C ARG A 34 10.231 -6.417 3.149 1.00 0.26 C ATOM 370 O ARG A 34 10.648 -6.006 4.232 1.00 0.31 O ATOM 371 CB ARG A 34 8.709 -4.542 2.513 1.00 0.22 C ATOM 372 CG ARG A 34 8.636 -3.228 1.757 1.00 0.23 C ATOM 373 CD ARG A 34 9.936 -2.446 1.860 1.00 0.27 C ATOM 374 NE ARG A 34 10.407 -2.332 3.243 1.00 0.34 N ATOM 375 CZ ARG A 34 11.605 -1.858 3.587 1.00 0.71 C ATOM 376 NH1 ARG A 34 12.452 -1.440 2.652 1.00 1.04 N ATOM 377 NH2 ARG A 34 11.954 -1.808 4.866 1.00 0.86 N ATOM 0 H ARG A 34 8.501 -6.414 0.743 1.00 0.19 H new ATOM 0 HA ARG A 34 10.706 -4.831 1.819 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.761 -5.068 2.403 1.00 0.22 H new ATOM 0 HB3 ARG A 34 8.837 -4.334 3.575 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.411 -3.424 0.709 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.817 -2.626 2.152 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.701 -2.935 1.257 1.00 0.27 H new ATOM 0 HD3 ARG A 34 9.792 -1.449 1.444 1.00 0.27 H new ATOM 0 HE ARG A 34 9.780 -2.634 3.989 1.00 0.34 H new ATOM 0 HH11 ARG A 34 12.186 -1.481 1.668 1.00 1.04 H new ATOM 0 HH12 ARG A 34 13.368 -1.078 2.918 1.00 1.04 H new ATOM 0 HH21 ARG A 34 11.306 -2.132 5.584 1.00 0.86 H new ATOM 0 HH22 ARG A 34 12.870 -1.446 5.131 1.00 0.86 H new ATOM 391 N LYS A 35 10.092 -7.706 2.848 1.00 0.26 N ATOM 392 CA LYS A 35 10.467 -8.777 3.761 1.00 0.30 C ATOM 393 C LYS A 35 9.764 -8.624 5.100 1.00 0.34 C ATOM 394 O LYS A 35 10.395 -8.638 6.158 1.00 0.58 O ATOM 395 CB LYS A 35 11.980 -8.821 3.939 1.00 0.33 C ATOM 396 CG LYS A 35 12.704 -9.172 2.657 1.00 0.54 C ATOM 397 CD LYS A 35 12.436 -10.609 2.240 1.00 1.10 C ATOM 398 CE LYS A 35 13.017 -10.908 0.868 1.00 0.95 C ATOM 399 NZ LYS A 35 14.488 -10.709 0.832 1.00 1.27 N ATOM 0 H LYS A 35 9.714 -8.036 1.960 1.00 0.26 H new ATOM 0 HA LYS A 35 10.147 -9.724 3.326 1.00 0.30 H new ATOM 0 HB2 LYS A 35 12.329 -7.852 4.296 1.00 0.33 H new ATOM 0 HB3 LYS A 35 12.231 -9.553 4.707 1.00 0.33 H new ATOM 0 HG2 LYS A 35 12.387 -8.497 1.862 1.00 0.54 H new ATOM 0 HG3 LYS A 35 13.776 -9.025 2.791 1.00 0.54 H new ATOM 0 HD2 LYS A 35 12.867 -11.289 2.975 1.00 1.10 H new ATOM 0 HD3 LYS A 35 11.361 -10.791 2.229 1.00 1.10 H new ATOM 0 HE2 LYS A 35 12.783 -11.936 0.591 1.00 0.95 H new ATOM 0 HE3 LYS A 35 12.546 -10.263 0.126 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 14.860 -11.036 -0.083 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 14.705 -9.699 0.953 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 14.931 -11.253 1.600 1.00 1.27 H new ATOM 413 N LEU A 36 8.451 -8.491 5.040 1.00 0.26 N ATOM 414 CA LEU A 36 7.634 -8.268 6.215 1.00 0.31 C ATOM 415 C LEU A 36 6.416 -9.171 6.158 1.00 0.34 C ATOM 416 O LEU A 36 6.298 -10.017 5.270 1.00 0.36 O ATOM 417 CB LEU A 36 7.199 -6.787 6.314 1.00 0.32 C ATOM 418 CG LEU A 36 7.009 -6.051 4.988 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.949 -6.727 4.148 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.633 -4.601 5.232 1.00 0.30 C ATOM 0 H LEU A 36 7.921 -8.535 4.170 1.00 0.26 H new ATOM 0 HA LEU A 36 8.222 -8.504 7.102 1.00 0.31 H new ATOM 0 HB2 LEU A 36 6.262 -6.741 6.869 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.944 -6.249 6.901 1.00 0.32 H new ATOM 0 HG LEU A 36 7.954 -6.082 4.446 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.830 -6.187 3.209 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.249 -7.754 3.940 1.00 0.26 H new ATOM 0 HD13 LEU A 36 5.002 -6.728 4.688 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.502 -4.093 4.276 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.702 -4.557 5.797 1.00 0.30 H new ATOM 0 HD23 LEU A 36 7.425 -4.110 5.798 1.00 0.30 H new ATOM 432 N ASP A 37 5.513 -8.979 7.088 1.00 0.41 N ATOM 433 CA ASP A 37 4.282 -9.741 7.120 1.00 0.47 C ATOM 434 C ASP A 37 3.151 -8.841 7.551 1.00 0.51 C ATOM 435 O ASP A 37 3.052 -8.460 8.719 1.00 1.00 O ATOM 436 CB ASP A 37 4.380 -10.936 8.069 1.00 0.54 C ATOM 437 CG ASP A 37 3.123 -11.786 8.042 1.00 0.68 C ATOM 438 OD1 ASP A 37 2.191 -11.515 8.827 1.00 0.85 O ATOM 439 OD2 ASP A 37 3.056 -12.729 7.225 1.00 0.73 O ATOM 0 H ASP A 37 5.606 -8.296 7.840 1.00 0.41 H new ATOM 0 HA ASP A 37 4.096 -10.128 6.118 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.238 -11.549 7.793 1.00 0.54 H new ATOM 0 HB3 ASP A 37 4.555 -10.580 9.084 1.00 0.54 H new ATOM 444 N LEU A 38 2.324 -8.476 6.599 1.00 0.26 N ATOM 445 CA LEU A 38 1.209 -7.601 6.871 1.00 0.26 C ATOM 446 C LEU A 38 -0.009 -8.069 6.130 1.00 0.26 C ATOM 447 O LEU A 38 0.084 -8.786 5.127 1.00 0.32 O ATOM 448 CB LEU A 38 1.521 -6.162 6.470 1.00 0.32 C ATOM 449 CG LEU A 38 1.379 -5.830 5.012 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.556 -4.342 4.830 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.389 -6.584 4.163 1.00 0.34 C ATOM 0 H LEU A 38 2.403 -8.773 5.626 1.00 0.26 H new ATOM 0 HA LEU A 38 1.021 -7.629 7.944 1.00 0.26 H new ATOM 0 HB2 LEU A 38 0.866 -5.500 7.037 1.00 0.32 H new ATOM 0 HB3 LEU A 38 2.543 -5.936 6.774 1.00 0.32 H new ATOM 0 HG LEU A 38 0.386 -6.134 4.682 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.455 -4.090 3.774 1.00 0.26 H new ATOM 0 HD12 LEU A 38 0.796 -3.812 5.404 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.545 -4.048 5.180 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.254 -6.317 3.115 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.398 -6.320 4.478 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.239 -7.657 4.286 1.00 0.34 H new ATOM 463 N SER A 39 -1.144 -7.654 6.620 1.00 0.22 N ATOM 464 CA SER A 39 -2.386 -7.946 5.963 1.00 0.21 C ATOM 465 C SER A 39 -2.741 -6.791 5.047 1.00 0.17 C ATOM 466 O SER A 39 -2.053 -5.765 5.055 1.00 0.25 O ATOM 467 CB SER A 39 -3.479 -8.214 6.991 1.00 0.29 C ATOM 468 OG SER A 39 -3.108 -9.281 7.853 1.00 0.64 O ATOM 0 H SER A 39 -1.234 -7.109 7.478 1.00 0.22 H new ATOM 0 HA SER A 39 -2.288 -8.848 5.359 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.662 -7.313 7.577 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.411 -8.459 6.482 1.00 0.29 H new ATOM 0 HG SER A 39 -3.821 -9.437 8.507 1.00 0.64 H new ATOM 474 N VAL A 40 -3.787 -6.937 4.262 1.00 0.18 N ATOM 475 CA VAL A 40 -4.047 -5.976 3.222 1.00 0.15 C ATOM 476 C VAL A 40 -4.392 -4.623 3.807 1.00 0.15 C ATOM 477 O VAL A 40 -3.873 -3.613 3.353 1.00 0.13 O ATOM 478 CB VAL A 40 -5.134 -6.460 2.243 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.524 -5.914 2.561 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.712 -6.094 0.855 1.00 0.17 C ATOM 0 H VAL A 40 -4.460 -7.701 4.325 1.00 0.18 H new ATOM 0 HA VAL A 40 -3.129 -5.869 2.644 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.225 -7.542 2.342 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.240 -6.295 1.833 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.820 -6.232 3.561 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.506 -4.825 2.517 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.468 -6.428 0.145 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.599 -5.012 0.783 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.761 -6.575 0.625 1.00 0.17 H new ATOM 490 N GLU A 41 -5.236 -4.617 4.826 1.00 0.17 N ATOM 491 CA GLU A 41 -5.605 -3.386 5.504 1.00 0.17 C ATOM 492 C GLU A 41 -4.365 -2.564 5.827 1.00 0.14 C ATOM 493 O GLU A 41 -4.304 -1.378 5.520 1.00 0.14 O ATOM 494 CB GLU A 41 -6.356 -3.692 6.791 1.00 0.24 C ATOM 495 CG GLU A 41 -7.574 -4.568 6.595 1.00 0.30 C ATOM 496 CD GLU A 41 -7.956 -5.296 7.863 1.00 0.46 C ATOM 497 OE1 GLU A 41 -7.380 -6.363 8.141 1.00 0.65 O ATOM 498 OE2 GLU A 41 -8.854 -4.807 8.579 1.00 0.82 O ATOM 0 H GLU A 41 -5.680 -5.455 5.203 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.252 -2.814 4.838 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.677 -4.181 7.489 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.665 -2.754 7.252 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -8.412 -3.955 6.262 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -7.376 -5.293 5.806 1.00 0.30 H new ATOM 505 N ASP A 42 -3.377 -3.214 6.427 1.00 0.15 N ATOM 506 CA ASP A 42 -2.135 -2.557 6.794 1.00 0.16 C ATOM 507 C ASP A 42 -1.460 -1.937 5.572 1.00 0.13 C ATOM 508 O ASP A 42 -0.923 -0.831 5.645 1.00 0.16 O ATOM 509 CB ASP A 42 -1.188 -3.555 7.459 1.00 0.23 C ATOM 510 CG ASP A 42 -1.831 -4.298 8.613 1.00 0.43 C ATOM 511 OD1 ASP A 42 -2.344 -3.639 9.542 1.00 0.66 O ATOM 512 OD2 ASP A 42 -1.818 -5.549 8.599 1.00 0.57 O ATOM 0 H ASP A 42 -3.415 -4.204 6.670 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.370 -1.759 7.498 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.846 -4.275 6.715 1.00 0.23 H new ATOM 0 HB3 ASP A 42 -0.306 -3.026 7.820 1.00 0.23 H new ATOM 517 N PHE A 43 -1.495 -2.650 4.445 1.00 0.11 N ATOM 518 CA PHE A 43 -0.975 -2.115 3.191 1.00 0.10 C ATOM 519 C PHE A 43 -1.764 -0.884 2.800 1.00 0.08 C ATOM 520 O PHE A 43 -1.202 0.178 2.523 1.00 0.09 O ATOM 521 CB PHE A 43 -1.071 -3.140 2.054 1.00 0.12 C ATOM 522 CG PHE A 43 -0.756 -2.580 0.675 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.699 -1.840 -0.035 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.476 -2.802 0.085 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.423 -1.340 -1.282 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.757 -2.303 -1.175 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.198 -1.570 -1.857 1.00 0.17 C ATOM 0 H PHE A 43 -1.876 -3.594 4.377 1.00 0.11 H new ATOM 0 HA PHE A 43 0.075 -1.868 3.348 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.387 -3.962 2.264 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -2.078 -3.558 2.042 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.668 -1.656 0.406 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.227 -3.371 0.614 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.169 -0.766 -1.811 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.721 -2.486 -1.626 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.020 -1.179 -2.840 1.00 0.17 H new ATOM 537 N LEU A 44 -3.077 -1.066 2.749 1.00 0.09 N ATOM 538 CA LEU A 44 -3.995 -0.034 2.308 1.00 0.11 C ATOM 539 C LEU A 44 -3.823 1.209 3.159 1.00 0.11 C ATOM 540 O LEU A 44 -4.019 2.309 2.676 1.00 0.14 O ATOM 541 CB LEU A 44 -5.456 -0.533 2.362 1.00 0.13 C ATOM 542 CG LEU A 44 -5.699 -1.976 1.885 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.125 -2.170 1.445 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.774 -2.378 0.763 1.00 0.15 C ATOM 0 H LEU A 44 -3.533 -1.939 3.014 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.766 0.213 1.272 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.809 -0.448 3.390 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.069 0.136 1.758 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.491 -2.616 2.742 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.267 -3.199 1.113 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.795 -1.962 2.279 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.348 -1.490 0.623 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -4.988 -3.404 0.465 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -4.925 -1.714 -0.088 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.740 -2.306 1.101 1.00 0.15 H new ATOM 556 N MET A 45 -3.426 1.019 4.414 1.00 0.12 N ATOM 557 CA MET A 45 -3.097 2.140 5.295 1.00 0.14 C ATOM 558 C MET A 45 -1.910 2.914 4.735 1.00 0.11 C ATOM 559 O MET A 45 -1.990 4.121 4.505 1.00 0.12 O ATOM 560 CB MET A 45 -2.732 1.656 6.704 1.00 0.20 C ATOM 561 CG MET A 45 -3.841 0.913 7.421 1.00 0.32 C ATOM 562 SD MET A 45 -3.342 0.331 9.056 1.00 0.55 S ATOM 563 CE MET A 45 -3.168 1.880 9.939 1.00 1.27 C ATOM 0 H MET A 45 -3.324 0.100 4.846 1.00 0.12 H new ATOM 0 HA MET A 45 -3.979 2.778 5.352 1.00 0.14 H new ATOM 0 HB2 MET A 45 -1.861 1.005 6.636 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.441 2.517 7.306 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.707 1.568 7.521 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.153 0.062 6.816 1.00 0.32 H new ATOM 0 HE1 MET A 45 -2.153 1.965 10.328 1.00 1.27 H new ATOM 0 HE2 MET A 45 -3.368 2.710 9.261 1.00 1.27 H new ATOM 0 HE3 MET A 45 -3.877 1.909 10.766 1.00 1.27 H new ATOM 573 N LEU A 46 -0.807 2.200 4.540 1.00 0.10 N ATOM 574 CA LEU A 46 0.430 2.781 4.020 1.00 0.11 C ATOM 575 C LEU A 46 0.191 3.556 2.729 1.00 0.12 C ATOM 576 O LEU A 46 0.538 4.735 2.637 1.00 0.14 O ATOM 577 CB LEU A 46 1.477 1.688 3.777 1.00 0.12 C ATOM 578 CG LEU A 46 1.728 0.739 4.951 1.00 0.12 C ATOM 579 CD1 LEU A 46 2.922 -0.156 4.671 1.00 0.14 C ATOM 580 CD2 LEU A 46 1.944 1.518 6.235 1.00 0.12 C ATOM 0 H LEU A 46 -0.743 1.201 4.737 1.00 0.10 H new ATOM 0 HA LEU A 46 0.800 3.478 4.772 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.166 1.097 2.916 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.420 2.166 3.512 1.00 0.12 H new ATOM 0 HG LEU A 46 0.845 0.111 5.073 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.083 -0.823 5.518 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.732 -0.747 3.775 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.809 0.458 4.519 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.121 0.824 7.056 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.807 2.174 6.122 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.059 2.117 6.450 1.00 0.12 H new ATOM 592 N ARG A 47 -0.408 2.901 1.741 1.00 0.12 N ATOM 593 CA ARG A 47 -0.676 3.556 0.467 1.00 0.15 C ATOM 594 C ARG A 47 -1.641 4.719 0.654 1.00 0.15 C ATOM 595 O ARG A 47 -1.445 5.782 0.083 1.00 0.20 O ATOM 596 CB ARG A 47 -1.221 2.569 -0.573 1.00 0.25 C ATOM 597 CG ARG A 47 -2.408 1.763 -0.101 1.00 0.91 C ATOM 598 CD ARG A 47 -3.593 1.925 -1.029 1.00 0.40 C ATOM 599 NE ARG A 47 -3.925 3.335 -1.259 1.00 1.16 N ATOM 600 CZ ARG A 47 -4.987 3.752 -1.955 1.00 1.30 C ATOM 601 NH1 ARG A 47 -5.790 2.871 -2.535 1.00 1.51 N ATOM 602 NH2 ARG A 47 -5.229 5.051 -2.083 1.00 2.08 N ATOM 0 H ARG A 47 -0.714 1.929 1.796 1.00 0.12 H new ATOM 0 HA ARG A 47 0.271 3.943 0.092 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -1.505 3.122 -1.468 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -0.423 1.885 -0.861 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.133 0.710 -0.041 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -2.686 2.078 0.905 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.375 1.444 -1.983 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -4.457 1.414 -0.605 1.00 0.40 H new ATOM 0 HE ARG A 47 -3.306 4.042 -0.863 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -5.598 1.873 -2.450 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -6.600 3.191 -3.066 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -4.604 5.731 -1.650 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -6.040 5.369 -2.614 1.00 2.08 H new ATOM 616 N HIS A 48 -2.708 4.476 1.412 1.00 0.14 N ATOM 617 CA HIS A 48 -3.660 5.511 1.786 1.00 0.15 C ATOM 618 C HIS A 48 -2.955 6.766 2.241 1.00 0.17 C ATOM 619 O HIS A 48 -3.052 7.781 1.578 1.00 0.20 O ATOM 620 CB HIS A 48 -4.597 5.013 2.882 1.00 0.18 C ATOM 621 CG HIS A 48 -5.962 4.667 2.393 1.00 0.21 C ATOM 622 ND1 HIS A 48 -7.026 4.419 3.226 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.415 4.487 1.141 1.00 0.21 C ATOM 624 CE1 HIS A 48 -8.077 4.090 2.502 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.735 4.119 1.223 1.00 0.31 N ATOM 0 H HIS A 48 -2.934 3.553 1.783 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.249 5.751 0.900 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -4.156 4.134 3.353 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.680 5.780 3.652 1.00 0.18 H new ATOM 0 HD2 HIS A 48 -5.843 4.610 0.233 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -9.054 3.839 2.887 1.00 0.47 H new ATOM 0 HE2 HIS A 48 -8.346 3.905 0.435 1.00 0.31 H new ATOM 634 N ARG A 49 -2.191 6.680 3.315 1.00 0.17 N ATOM 635 CA ARG A 49 -1.615 7.872 3.910 1.00 0.18 C ATOM 636 C ARG A 49 -0.839 8.673 2.871 1.00 0.22 C ATOM 637 O ARG A 49 -1.054 9.870 2.714 1.00 0.28 O ATOM 638 CB ARG A 49 -0.723 7.505 5.071 1.00 0.16 C ATOM 639 CG ARG A 49 -1.477 6.769 6.151 1.00 0.17 C ATOM 640 CD ARG A 49 -0.638 6.649 7.388 1.00 0.17 C ATOM 641 NE ARG A 49 -0.519 5.269 7.857 1.00 0.29 N ATOM 642 CZ ARG A 49 -0.578 4.906 9.140 1.00 0.52 C ATOM 643 NH1 ARG A 49 -0.861 5.801 10.081 1.00 0.69 N ATOM 644 NH2 ARG A 49 -0.366 3.642 9.482 1.00 0.68 N ATOM 0 H ARG A 49 -1.957 5.808 3.789 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.428 8.495 4.283 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.099 6.884 4.715 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.281 8.409 5.489 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.402 7.297 6.382 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.756 5.777 5.796 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.357 7.047 7.188 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.073 7.261 8.178 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.382 4.538 7.159 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -1.035 6.773 9.825 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -0.904 5.516 11.059 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -0.158 2.948 8.764 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -0.411 3.365 10.462 1.00 0.68 H new ATOM 658 N ALA A 50 0.029 7.986 2.145 1.00 0.24 N ATOM 659 CA ALA A 50 0.794 8.600 1.067 1.00 0.31 C ATOM 660 C ALA A 50 -0.134 9.216 0.016 1.00 0.35 C ATOM 661 O ALA A 50 -0.013 10.396 -0.316 1.00 0.42 O ATOM 662 CB ALA A 50 1.722 7.578 0.427 1.00 0.34 C ATOM 0 H ALA A 50 0.223 6.994 2.283 1.00 0.24 H new ATOM 0 HA ALA A 50 1.398 9.401 1.493 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.286 8.052 -0.376 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.412 7.193 1.178 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.133 6.756 0.020 1.00 0.34 H new ATOM 668 N ALA A 51 -1.047 8.402 -0.510 1.00 0.34 N ATOM 669 CA ALA A 51 -2.012 8.838 -1.511 1.00 0.43 C ATOM 670 C ALA A 51 -2.856 10.020 -1.051 1.00 0.41 C ATOM 671 O ALA A 51 -3.198 10.891 -1.850 1.00 0.47 O ATOM 672 CB ALA A 51 -2.922 7.675 -1.871 1.00 0.52 C ATOM 0 H ALA A 51 -1.137 7.419 -0.252 1.00 0.34 H new ATOM 0 HA ALA A 51 -1.445 9.171 -2.380 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -3.646 7.997 -2.620 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -2.325 6.856 -2.272 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -3.449 7.336 -0.979 1.00 0.52 H new ATOM 678 N LEU A 52 -3.203 10.038 0.224 1.00 0.36 N ATOM 679 CA LEU A 52 -4.122 11.038 0.743 1.00 0.39 C ATOM 680 C LEU A 52 -3.360 12.284 1.191 1.00 0.40 C ATOM 681 O LEU A 52 -3.541 13.362 0.619 1.00 0.46 O ATOM 682 CB LEU A 52 -4.949 10.440 1.888 1.00 0.39 C ATOM 683 CG LEU A 52 -5.447 9.016 1.619 1.00 0.36 C ATOM 684 CD1 LEU A 52 -6.150 8.427 2.824 1.00 0.39 C ATOM 685 CD2 LEU A 52 -6.344 8.982 0.403 1.00 0.43 C ATOM 0 H LEU A 52 -2.863 9.373 0.919 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.808 11.342 -0.048 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.346 10.438 2.796 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.807 11.084 2.078 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.572 8.398 1.420 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.487 7.417 2.591 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.460 8.394 3.667 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -7.009 9.046 3.082 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.686 7.961 0.231 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -7.205 9.630 0.568 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.789 9.330 -0.468 1.00 0.43 H new ATOM 697 N GLY A 53 -2.527 12.152 2.218 1.00 0.36 N ATOM 698 CA GLY A 53 -1.637 13.242 2.582 1.00 0.37 C ATOM 699 C GLY A 53 -0.974 13.058 3.941 1.00 0.36 C ATOM 700 O GLY A 53 -0.448 14.015 4.509 1.00 0.55 O ATOM 0 H GLY A 53 -2.451 11.318 2.801 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.864 13.339 1.820 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -2.201 14.175 2.585 1.00 0.37 H new ATOM 704 N ALA A 54 -0.976 11.834 4.455 1.00 0.30 N ATOM 705 CA ALA A 54 -0.396 11.544 5.760 1.00 0.27 C ATOM 706 C ALA A 54 1.001 10.946 5.619 1.00 0.23 C ATOM 707 O ALA A 54 1.234 10.061 4.797 1.00 0.24 O ATOM 708 CB ALA A 54 -1.308 10.617 6.548 1.00 0.29 C ATOM 0 H ALA A 54 -1.375 11.022 3.984 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.300 12.481 6.308 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -0.862 10.409 7.521 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.278 11.094 6.688 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.438 9.683 6.001 1.00 0.29 H new ATOM 714 N ASP A 55 1.928 11.436 6.429 1.00 0.24 N ATOM 715 CA ASP A 55 3.316 11.007 6.356 1.00 0.24 C ATOM 716 C ASP A 55 3.735 10.289 7.627 1.00 0.21 C ATOM 717 O ASP A 55 4.732 10.634 8.260 1.00 0.25 O ATOM 718 CB ASP A 55 4.252 12.187 6.085 1.00 0.33 C ATOM 719 CG ASP A 55 4.260 12.604 4.629 1.00 1.21 C ATOM 720 OD1 ASP A 55 4.832 11.867 3.797 1.00 1.93 O ATOM 721 OD2 ASP A 55 3.704 13.675 4.307 1.00 1.37 O ATOM 0 H ASP A 55 1.742 12.135 7.148 1.00 0.24 H new ATOM 0 HA ASP A 55 3.394 10.310 5.522 1.00 0.24 H new ATOM 0 HB2 ASP A 55 3.949 13.035 6.700 1.00 0.33 H new ATOM 0 HB3 ASP A 55 5.264 11.919 6.388 1.00 0.33 H new ATOM 726 N ASP A 56 2.950 9.299 7.996 1.00 0.19 N ATOM 727 CA ASP A 56 3.335 8.383 9.066 1.00 0.22 C ATOM 728 C ASP A 56 4.434 7.453 8.565 1.00 0.17 C ATOM 729 O ASP A 56 4.304 6.888 7.486 1.00 0.21 O ATOM 730 CB ASP A 56 2.143 7.557 9.544 1.00 0.30 C ATOM 731 CG ASP A 56 2.544 6.518 10.571 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.545 6.841 11.776 1.00 0.86 O ATOM 733 OD2 ASP A 56 2.859 5.376 10.175 1.00 0.93 O ATOM 0 H ASP A 56 2.042 9.102 7.576 1.00 0.19 H new ATOM 0 HA ASP A 56 3.699 8.972 9.908 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.392 8.220 9.974 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.680 7.062 8.690 1.00 0.30 H new ATOM 738 N ASN A 57 5.522 7.343 9.322 1.00 0.23 N ATOM 739 CA ASN A 57 6.711 6.604 8.899 1.00 0.20 C ATOM 740 C ASN A 57 6.441 5.281 8.180 1.00 0.17 C ATOM 741 O ASN A 57 7.083 5.006 7.174 1.00 0.18 O ATOM 742 CB ASN A 57 7.647 6.352 10.068 1.00 0.25 C ATOM 743 CG ASN A 57 6.991 5.625 11.226 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.408 6.245 12.113 1.00 0.70 O ATOM 745 ND2 ASN A 57 7.107 4.307 11.242 1.00 0.47 N ATOM 0 H ASN A 57 5.606 7.764 10.247 1.00 0.23 H new ATOM 0 HA ASN A 57 7.177 7.260 8.164 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.500 5.769 9.720 1.00 0.25 H new ATOM 0 HB3 ASN A 57 8.036 7.306 10.423 1.00 0.25 H new ATOM 0 HD21 ASN A 57 6.705 3.769 12.010 1.00 0.47 H new ATOM 0 HD22 ASN A 57 7.599 3.829 10.487 1.00 0.47 H new ATOM 752 N ASP A 58 5.512 4.461 8.663 1.00 0.18 N ATOM 753 CA ASP A 58 5.258 3.170 8.015 1.00 0.19 C ATOM 754 C ASP A 58 4.785 3.394 6.590 1.00 0.16 C ATOM 755 O ASP A 58 5.153 2.670 5.665 1.00 0.19 O ATOM 756 CB ASP A 58 4.228 2.347 8.793 1.00 0.22 C ATOM 757 CG ASP A 58 4.844 1.576 9.940 1.00 1.28 C ATOM 758 OD1 ASP A 58 5.511 0.550 9.687 1.00 2.31 O ATOM 759 OD2 ASP A 58 4.673 2.001 11.104 1.00 1.35 O ATOM 0 H ASP A 58 4.933 4.656 9.480 1.00 0.18 H new ATOM 0 HA ASP A 58 6.191 2.606 8.002 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.456 3.011 9.180 1.00 0.22 H new ATOM 0 HB3 ASP A 58 3.738 1.650 8.114 1.00 0.22 H new ATOM 764 N ALA A 59 3.977 4.418 6.447 1.00 0.13 N ATOM 765 CA ALA A 59 3.466 4.832 5.155 1.00 0.11 C ATOM 766 C ALA A 59 4.545 5.489 4.306 1.00 0.12 C ATOM 767 O ALA A 59 4.546 5.339 3.086 1.00 0.13 O ATOM 768 CB ALA A 59 2.301 5.773 5.328 1.00 0.10 C ATOM 0 H ALA A 59 3.652 4.992 7.225 1.00 0.13 H new ATOM 0 HA ALA A 59 3.130 3.936 4.634 1.00 0.11 H new ATOM 0 HB1 ALA A 59 1.929 6.075 4.349 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.506 5.271 5.880 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.625 6.655 5.881 1.00 0.10 H new ATOM 774 N VAL A 60 5.470 6.211 4.932 1.00 0.14 N ATOM 775 CA VAL A 60 6.481 6.909 4.156 1.00 0.17 C ATOM 776 C VAL A 60 7.561 5.940 3.699 1.00 0.18 C ATOM 777 O VAL A 60 8.094 6.076 2.604 1.00 0.20 O ATOM 778 CB VAL A 60 7.135 8.096 4.899 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.088 8.948 5.585 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.201 7.641 5.875 1.00 0.25 C ATOM 0 H VAL A 60 5.539 6.325 5.943 1.00 0.14 H new ATOM 0 HA VAL A 60 5.956 7.329 3.298 1.00 0.17 H new ATOM 0 HB VAL A 60 7.635 8.710 4.150 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.574 9.776 6.101 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.394 9.340 4.842 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.542 8.342 6.307 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.632 8.509 6.373 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.755 6.980 6.618 1.00 0.25 H new ATOM 0 HG23 VAL A 60 8.983 7.106 5.336 1.00 0.25 H new ATOM 790 N LYS A 61 7.881 4.964 4.548 1.00 0.19 N ATOM 791 CA LYS A 61 8.816 3.922 4.191 1.00 0.22 C ATOM 792 C LYS A 61 8.187 2.971 3.184 1.00 0.20 C ATOM 793 O LYS A 61 8.882 2.247 2.469 1.00 0.28 O ATOM 794 CB LYS A 61 9.238 3.194 5.450 1.00 0.29 C ATOM 795 CG LYS A 61 9.954 4.110 6.428 1.00 0.37 C ATOM 796 CD LYS A 61 9.988 3.514 7.825 1.00 0.49 C ATOM 797 CE LYS A 61 10.240 2.021 7.768 1.00 1.13 C ATOM 798 NZ LYS A 61 10.458 1.430 9.114 1.00 1.71 N ATOM 0 H LYS A 61 7.499 4.882 5.490 1.00 0.19 H new ATOM 0 HA LYS A 61 9.698 4.356 3.721 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.359 2.766 5.932 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.893 2.364 5.186 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.972 4.288 6.082 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.453 5.077 6.456 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.769 3.997 8.412 1.00 0.49 H new ATOM 0 HD3 LYS A 61 9.042 3.709 8.331 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.391 1.530 7.292 1.00 1.13 H new ATOM 0 HE3 LYS A 61 11.112 1.826 7.143 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 10.626 0.408 9.021 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 11.284 1.878 9.560 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 9.617 1.590 9.704 1.00 1.71 H new ATOM 812 N PHE A 62 6.862 2.971 3.149 1.00 0.14 N ATOM 813 CA PHE A 62 6.134 2.315 2.087 1.00 0.13 C ATOM 814 C PHE A 62 6.322 3.107 0.811 1.00 0.13 C ATOM 815 O PHE A 62 6.755 2.574 -0.203 1.00 0.15 O ATOM 816 CB PHE A 62 4.647 2.230 2.425 1.00 0.14 C ATOM 817 CG PHE A 62 3.809 1.660 1.318 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.639 0.294 1.206 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.191 2.488 0.393 1.00 0.15 C ATOM 820 CE1 PHE A 62 2.872 -0.239 0.193 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.424 1.960 -0.623 1.00 0.16 C ATOM 822 CZ PHE A 62 2.265 0.596 -0.724 1.00 0.17 C ATOM 0 H PHE A 62 6.273 3.421 3.849 1.00 0.14 H new ATOM 0 HA PHE A 62 6.514 1.301 1.962 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.521 1.617 3.317 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.281 3.227 2.669 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.112 -0.364 1.920 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.312 3.558 0.470 1.00 0.15 H new ATOM 0 HE1 PHE A 62 2.746 -1.309 0.116 1.00 0.18 H new ATOM 0 HE2 PHE A 62 1.949 2.615 -1.338 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.666 0.179 -1.520 1.00 0.17 H new ATOM 832 N ARG A 63 5.977 4.387 0.886 1.00 0.12 N ATOM 833 CA ARG A 63 6.140 5.314 -0.218 1.00 0.15 C ATOM 834 C ARG A 63 7.537 5.225 -0.819 1.00 0.14 C ATOM 835 O ARG A 63 7.678 4.906 -1.993 1.00 0.16 O ATOM 836 CB ARG A 63 5.844 6.730 0.304 1.00 0.21 C ATOM 837 CG ARG A 63 6.178 7.874 -0.644 1.00 0.42 C ATOM 838 CD ARG A 63 7.642 8.277 -0.540 1.00 0.39 C ATOM 839 NE ARG A 63 7.897 9.560 -1.177 1.00 0.76 N ATOM 840 CZ ARG A 63 8.667 10.518 -0.666 1.00 1.06 C ATOM 841 NH1 ARG A 63 9.277 10.343 0.500 1.00 1.44 N ATOM 842 NH2 ARG A 63 8.828 11.654 -1.331 1.00 1.37 N ATOM 0 H ARG A 63 5.574 4.810 1.722 1.00 0.12 H new ATOM 0 HA ARG A 63 5.445 5.061 -1.019 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.785 6.789 0.555 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.399 6.878 1.230 1.00 0.21 H new ATOM 0 HG2 ARG A 63 5.954 7.576 -1.668 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.546 8.733 -0.416 1.00 0.42 H new ATOM 0 HD2 ARG A 63 7.931 8.329 0.510 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.263 7.511 -1.004 1.00 0.39 H new ATOM 0 HE ARG A 63 7.455 9.738 -2.079 1.00 0.76 H new ATOM 0 HH11 ARG A 63 9.158 9.469 1.012 1.00 1.44 H new ATOM 0 HH12 ARG A 63 9.865 11.083 0.884 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.363 11.790 -2.229 1.00 1.37 H new ATOM 0 HH22 ARG A 63 9.417 12.392 -0.945 1.00 1.37 H new ATOM 856 N SER A 64 8.543 5.527 -0.010 1.00 0.13 N ATOM 857 CA SER A 64 9.936 5.483 -0.444 1.00 0.16 C ATOM 858 C SER A 64 10.248 4.235 -1.275 1.00 0.17 C ATOM 859 O SER A 64 10.689 4.334 -2.420 1.00 0.28 O ATOM 860 CB SER A 64 10.870 5.569 0.763 1.00 0.21 C ATOM 861 OG SER A 64 10.564 4.578 1.725 1.00 1.30 O ATOM 0 H SER A 64 8.419 5.809 0.963 1.00 0.13 H new ATOM 0 HA SER A 64 10.101 6.346 -1.089 1.00 0.16 H new ATOM 0 HB2 SER A 64 11.903 5.453 0.435 1.00 0.21 H new ATOM 0 HB3 SER A 64 10.789 6.556 1.218 1.00 0.21 H new ATOM 0 HG SER A 64 11.262 4.563 2.413 1.00 1.30 H new ATOM 867 N TRP A 65 9.992 3.068 -0.704 1.00 0.13 N ATOM 868 CA TRP A 65 10.248 1.806 -1.387 1.00 0.14 C ATOM 869 C TRP A 65 9.359 1.641 -2.621 1.00 0.13 C ATOM 870 O TRP A 65 9.855 1.413 -3.722 1.00 0.15 O ATOM 871 CB TRP A 65 10.065 0.641 -0.406 1.00 0.17 C ATOM 872 CG TRP A 65 9.756 -0.676 -1.051 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.629 -1.580 -1.580 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.459 -1.233 -1.217 1.00 0.16 C ATOM 875 NE1 TRP A 65 9.940 -2.673 -2.057 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.603 -2.475 -1.851 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.194 -0.789 -0.884 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.510 -3.279 -2.159 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.109 -1.581 -1.187 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.273 -2.817 -1.821 1.00 0.21 C ATOM 0 H TRP A 65 9.606 2.967 0.235 1.00 0.13 H new ATOM 0 HA TRP A 65 11.279 1.808 -1.742 1.00 0.14 H new ATOM 0 HB2 TRP A 65 10.974 0.536 0.186 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.260 0.889 0.286 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.701 -1.457 -1.619 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.358 -3.495 -2.492 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.058 0.164 -0.394 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.637 -4.234 -2.648 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.116 -1.243 -0.931 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.403 -3.416 -2.047 1.00 0.21 H new ATOM 891 N TRP A 66 8.057 1.815 -2.442 1.00 0.12 N ATOM 892 CA TRP A 66 7.079 1.503 -3.479 1.00 0.13 C ATOM 893 C TRP A 66 7.183 2.477 -4.642 1.00 0.12 C ATOM 894 O TRP A 66 6.843 2.139 -5.772 1.00 0.19 O ATOM 895 CB TRP A 66 5.667 1.538 -2.881 1.00 0.16 C ATOM 896 CG TRP A 66 4.596 0.908 -3.728 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.386 1.450 -4.048 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.621 -0.384 -4.347 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.663 0.578 -4.810 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.395 -0.546 -5.011 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.549 -1.421 -4.407 1.00 0.30 C ATOM 902 CZ2 TRP A 66 3.075 -1.685 -5.720 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.231 -2.563 -5.113 1.00 0.38 C ATOM 904 CH2 TRP A 66 4.003 -2.686 -5.764 1.00 0.39 C ATOM 0 H TRP A 66 7.649 2.174 -1.579 1.00 0.12 H new ATOM 0 HA TRP A 66 7.286 0.504 -3.861 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.687 1.034 -1.915 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.395 2.577 -2.693 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.048 2.429 -3.742 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.723 0.745 -5.170 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.503 -1.332 -3.908 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 2.124 -1.782 -6.223 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 5.943 -3.374 -5.162 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.782 -3.590 -6.313 1.00 0.39 H new ATOM 915 N ASN A 67 7.701 3.666 -4.377 1.00 0.17 N ATOM 916 CA ASN A 67 7.763 4.712 -5.388 1.00 0.17 C ATOM 917 C ASN A 67 9.117 4.736 -6.066 1.00 0.18 C ATOM 918 O ASN A 67 9.400 5.598 -6.894 1.00 0.22 O ATOM 919 CB ASN A 67 7.484 6.073 -4.778 1.00 0.20 C ATOM 920 CG ASN A 67 6.006 6.325 -4.610 1.00 0.23 C ATOM 921 OD1 ASN A 67 5.353 6.900 -5.479 1.00 0.31 O ATOM 922 ND2 ASN A 67 5.461 5.877 -3.498 1.00 0.38 N ATOM 0 H ASN A 67 8.085 3.932 -3.470 1.00 0.17 H new ATOM 0 HA ASN A 67 6.998 4.489 -6.132 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.976 6.143 -3.808 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.914 6.849 -5.411 1.00 0.20 H new ATOM 0 HD21 ASN A 67 4.462 6.002 -3.333 1.00 0.38 H new ATOM 0 HD22 ASN A 67 6.038 5.405 -2.802 1.00 0.38 H new ATOM 929 N SER A 68 9.961 3.806 -5.691 1.00 0.18 N ATOM 930 CA SER A 68 11.231 3.642 -6.366 1.00 0.22 C ATOM 931 C SER A 68 11.084 2.603 -7.463 1.00 0.22 C ATOM 932 O SER A 68 11.891 2.515 -8.387 1.00 0.24 O ATOM 933 CB SER A 68 12.320 3.223 -5.379 1.00 0.25 C ATOM 934 OG SER A 68 12.449 4.172 -4.330 1.00 0.85 O ATOM 0 H SER A 68 9.795 3.152 -4.926 1.00 0.18 H new ATOM 0 HA SER A 68 11.526 4.595 -6.805 1.00 0.22 H new ATOM 0 HB2 SER A 68 12.081 2.245 -4.962 1.00 0.25 H new ATOM 0 HB3 SER A 68 13.271 3.123 -5.902 1.00 0.25 H new ATOM 0 HG SER A 68 11.596 4.251 -3.853 1.00 0.85 H new ATOM 940 N ARG A 69 10.036 1.812 -7.335 1.00 0.20 N ATOM 941 CA ARG A 69 9.780 0.711 -8.234 1.00 0.22 C ATOM 942 C ARG A 69 8.519 0.955 -9.052 1.00 0.24 C ATOM 943 O ARG A 69 8.563 1.157 -10.264 1.00 0.27 O ATOM 944 CB ARG A 69 9.644 -0.583 -7.437 1.00 0.22 C ATOM 945 CG ARG A 69 9.303 -0.383 -5.968 1.00 0.29 C ATOM 946 CD ARG A 69 8.739 -1.649 -5.359 1.00 0.22 C ATOM 947 NE ARG A 69 9.620 -2.791 -5.574 1.00 0.84 N ATOM 948 CZ ARG A 69 9.201 -3.982 -6.006 1.00 0.99 C ATOM 949 NH1 ARG A 69 7.923 -4.163 -6.315 1.00 0.97 N ATOM 950 NH2 ARG A 69 10.062 -4.982 -6.150 1.00 1.70 N ATOM 0 H ARG A 69 9.337 1.918 -6.600 1.00 0.20 H new ATOM 0 HA ARG A 69 10.620 0.626 -8.924 1.00 0.22 H new ATOM 0 HB2 ARG A 69 8.871 -1.199 -7.896 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.579 -1.139 -7.508 1.00 0.22 H new ATOM 0 HG2 ARG A 69 10.197 -0.081 -5.422 1.00 0.29 H new ATOM 0 HG3 ARG A 69 8.579 0.426 -5.867 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.588 -1.502 -4.290 1.00 0.22 H new ATOM 0 HD3 ARG A 69 7.761 -1.857 -5.793 1.00 0.22 H new ATOM 0 HE ARG A 69 10.615 -2.672 -5.383 1.00 0.84 H new ATOM 0 HH11 ARG A 69 7.262 -3.392 -6.222 1.00 0.97 H new ATOM 0 HH12 ARG A 69 7.602 -5.073 -6.645 1.00 0.97 H new ATOM 0 HH21 ARG A 69 11.048 -4.842 -5.930 1.00 1.70 H new ATOM 0 HH22 ARG A 69 9.737 -5.891 -6.480 1.00 1.70 H new ATOM 964 N THR A 70 7.400 0.948 -8.352 1.00 0.24 N ATOM 965 CA THR A 70 6.082 1.037 -8.959 1.00 0.26 C ATOM 966 C THR A 70 5.592 2.464 -9.029 1.00 0.25 C ATOM 967 O THR A 70 5.285 2.974 -10.104 1.00 0.29 O ATOM 968 CB THR A 70 5.085 0.261 -8.108 1.00 0.27 C ATOM 969 OG1 THR A 70 5.583 -1.059 -7.866 1.00 0.33 O ATOM 970 CG2 THR A 70 3.719 0.201 -8.765 1.00 0.31 C ATOM 0 H THR A 70 7.379 0.880 -7.335 1.00 0.24 H new ATOM 0 HA THR A 70 6.160 0.631 -9.968 1.00 0.26 H new ATOM 0 HB THR A 70 4.967 0.783 -7.158 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.138 -1.437 -7.079 1.00 0.33 H new ATOM 0 HG21 THR A 70 3.034 -0.360 -8.129 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.338 1.213 -8.905 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.802 -0.293 -9.733 1.00 0.31 H new ATOM 978 N LYS A 71 5.510 3.079 -7.852 1.00 0.24 N ATOM 979 CA LYS A 71 4.925 4.397 -7.679 1.00 0.27 C ATOM 980 C LYS A 71 3.417 4.305 -7.797 1.00 0.30 C ATOM 981 O LYS A 71 2.741 5.292 -8.083 1.00 0.52 O ATOM 982 CB LYS A 71 5.494 5.386 -8.671 1.00 0.32 C ATOM 983 CG LYS A 71 7.016 5.397 -8.688 1.00 0.35 C ATOM 984 CD LYS A 71 7.595 6.459 -9.602 1.00 0.46 C ATOM 985 CE LYS A 71 7.243 7.860 -9.131 1.00 0.93 C ATOM 986 NZ LYS A 71 7.823 8.906 -10.013 1.00 1.20 N ATOM 0 H LYS A 71 5.853 2.668 -6.984 1.00 0.24 H new ATOM 0 HA LYS A 71 5.177 4.763 -6.684 1.00 0.27 H new ATOM 0 HB2 LYS A 71 5.126 5.145 -9.668 1.00 0.32 H new ATOM 0 HB3 LYS A 71 5.131 6.385 -8.430 1.00 0.32 H new ATOM 0 HG2 LYS A 71 7.383 5.559 -7.675 1.00 0.35 H new ATOM 0 HG3 LYS A 71 7.377 4.418 -9.005 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.679 6.351 -9.644 1.00 0.46 H new ATOM 0 HD3 LYS A 71 7.220 6.311 -10.615 1.00 0.46 H new ATOM 0 HE2 LYS A 71 6.159 7.971 -9.101 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.606 8.002 -8.113 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 7.559 9.847 -9.656 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.859 8.817 -10.022 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 7.457 8.787 -10.979 1.00 1.20 H new ATOM 1000 N MET A 72 2.927 3.084 -7.543 1.00 0.31 N ATOM 1001 CA MET A 72 1.499 2.748 -7.438 1.00 0.32 C ATOM 1002 C MET A 72 0.606 3.384 -8.496 1.00 0.39 C ATOM 1003 O MET A 72 1.058 3.900 -9.520 1.00 0.72 O ATOM 1004 CB MET A 72 0.969 3.087 -6.041 1.00 0.35 C ATOM 1005 CG MET A 72 1.489 4.379 -5.468 1.00 0.40 C ATOM 1006 SD MET A 72 0.511 5.824 -5.916 1.00 1.11 S ATOM 1007 CE MET A 72 1.480 7.125 -5.157 1.00 1.20 C ATOM 0 H MET A 72 3.533 2.276 -7.400 1.00 0.31 H new ATOM 0 HA MET A 72 1.451 1.674 -7.619 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.119 3.135 -6.082 1.00 0.35 H new ATOM 0 HB3 MET A 72 1.227 2.274 -5.362 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.520 4.296 -4.382 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.515 4.528 -5.806 1.00 0.40 H new ATOM 0 HE1 MET A 72 1.006 8.088 -5.344 1.00 1.20 H new ATOM 0 HE2 MET A 72 1.541 6.953 -4.082 1.00 1.20 H new ATOM 0 HE3 MET A 72 2.484 7.126 -5.582 1.00 1.20 H new ATOM 1017 N ALA A 73 -0.682 3.285 -8.234 1.00 0.48 N ATOM 1018 CA ALA A 73 -1.703 3.857 -9.077 1.00 0.56 C ATOM 1019 C ALA A 73 -2.650 4.645 -8.231 1.00 0.61 C ATOM 1020 O ALA A 73 -3.767 4.942 -8.629 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.426 2.782 -9.868 1.00 0.67 C ATOM 0 H ALA A 73 -1.050 2.797 -7.417 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.239 4.524 -9.804 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.190 3.243 -10.494 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -1.712 2.251 -10.498 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -2.896 2.079 -9.181 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.120 5.040 -7.093 1.00 0.64 N ATOM 1028 CA ASN A 74 -2.869 5.678 -6.019 1.00 0.74 C ATOM 1029 C ASN A 74 -4.121 4.876 -5.684 1.00 0.92 C ATOM 1030 O ASN A 74 -4.125 4.094 -4.739 1.00 1.68 O ATOM 1031 CB ASN A 74 -3.225 7.112 -6.408 1.00 0.89 C ATOM 1032 CG ASN A 74 -3.511 7.988 -5.207 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -4.633 8.031 -4.700 1.00 2.37 O ATOM 1034 ND2 ASN A 74 -2.493 8.707 -4.751 1.00 1.58 N ATOM 0 H ASN A 74 -1.129 4.925 -6.879 1.00 0.64 H new ATOM 0 HA ASN A 74 -2.244 5.708 -5.126 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -2.404 7.544 -6.980 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.098 7.101 -7.061 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -2.624 9.326 -3.951 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -1.580 8.641 -5.201 1.00 1.58 H new ATOM 1041 N ASP A 75 -5.163 5.050 -6.479 1.00 0.91 N ATOM 1042 CA ASP A 75 -6.394 4.306 -6.305 1.00 0.98 C ATOM 1043 C ASP A 75 -7.063 4.096 -7.663 1.00 0.96 C ATOM 1044 O ASP A 75 -8.276 3.904 -7.751 1.00 1.14 O ATOM 1045 CB ASP A 75 -7.329 5.056 -5.353 1.00 1.22 C ATOM 1046 CG ASP A 75 -8.391 4.164 -4.748 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -8.058 3.332 -3.878 1.00 2.38 O ATOM 1048 OD2 ASP A 75 -9.564 4.277 -5.158 1.00 2.37 O ATOM 0 H ASP A 75 -5.178 5.708 -7.258 1.00 0.91 H new ATOM 0 HA ASP A 75 -6.170 3.332 -5.870 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -6.741 5.506 -4.553 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -7.811 5.872 -5.892 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.269 4.142 -8.734 1.00 0.81 N ATOM 1054 CA TYR A 76 -6.810 3.984 -10.072 1.00 0.88 C ATOM 1055 C TYR A 76 -6.659 2.542 -10.541 1.00 0.93 C ATOM 1056 O TYR A 76 -7.449 1.691 -10.092 1.00 1.47 O ATOM 1057 CB TYR A 76 -6.109 4.931 -11.036 1.00 0.91 C ATOM 1058 CG TYR A 76 -6.268 6.392 -10.683 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -7.480 7.041 -10.867 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -5.208 7.123 -10.165 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -7.632 8.370 -10.545 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -5.351 8.454 -9.841 1.00 1.23 C ATOM 1063 CZ TYR A 76 -6.553 9.077 -10.034 1.00 1.45 C ATOM 1064 OH TYR A 76 -6.717 10.402 -9.707 1.00 1.70 O ATOM 0 H TYR A 76 -5.260 4.286 -8.696 1.00 0.81 H new ATOM 0 HA TYR A 76 -7.872 4.229 -10.050 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -5.047 4.687 -11.062 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -6.499 4.765 -12.040 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -8.319 6.493 -11.270 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -4.254 6.640 -10.013 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -8.584 8.859 -10.689 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -4.515 9.005 -9.435 1.00 1.23 H new ATOM 0 HH TYR A 76 -5.873 10.760 -9.361 1.00 1.70 H new TER 1074 TYR A 76