USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 17 SER OG : rot 80:sc= 0.525 USER MOD Single : A 27 SER OG : rot 98:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 10:sc= -0.247! USER MOD Single : A 42 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 46 MET CE :methyl 145:sc= -0.336 (180deg=-1.3!) USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.645 USER MOD Single : A 54 SER OG : rot 77:sc= 0.172 USER MOD Single : A 56 TYR OH : rot 20:sc= 1.17 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 79 ASN : amide:sc= 0.054 K(o=0.054,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 13.921 -4.082 3.141 1.00 0.80 N ATOM 45 CA LEU A 4 12.988 -3.821 2.085 1.00 0.65 C ATOM 46 C LEU A 4 11.606 -4.307 2.485 1.00 0.68 C ATOM 47 O LEU A 4 11.469 -5.352 3.122 1.00 0.86 O ATOM 48 CB LEU A 4 13.452 -4.518 0.796 1.00 0.70 C ATOM 49 CG LEU A 4 12.691 -4.165 -0.481 1.00 0.69 C ATOM 50 CD1 LEU A 4 12.892 -2.695 -0.830 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.126 -5.056 -1.634 1.00 1.01 C ATOM 0 HA LEU A 4 12.940 -2.747 1.903 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.505 -4.284 0.641 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.384 -5.595 0.947 1.00 0.70 H new ATOM 0 HG LEU A 4 11.629 -4.336 -0.305 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.344 -2.459 -1.742 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.523 -2.074 -0.014 1.00 0.70 H new ATOM 0 HD13 LEU A 4 13.953 -2.499 -0.984 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.571 -4.786 -2.532 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.193 -4.924 -1.814 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.927 -6.098 -1.384 1.00 1.01 H new ATOM 63 N LEU A 5 10.605 -3.534 2.123 1.00 0.60 N ATOM 64 CA LEU A 5 9.219 -3.840 2.416 1.00 0.64 C ATOM 65 C LEU A 5 8.762 -4.902 1.413 1.00 0.59 C ATOM 66 O LEU A 5 8.783 -4.656 0.201 1.00 0.61 O ATOM 67 CB LEU A 5 8.393 -2.536 2.242 1.00 0.69 C ATOM 68 CG LEU A 5 7.014 -2.423 2.933 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.410 -1.077 2.645 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.051 -3.505 2.506 1.00 1.54 C ATOM 0 H LEU A 5 10.732 -2.662 1.609 1.00 0.60 H new ATOM 0 HA LEU A 5 9.087 -4.214 3.431 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.007 -1.708 2.596 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.239 -2.384 1.174 1.00 0.69 H new ATOM 0 HG LEU A 5 7.186 -2.546 4.002 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.439 -1.002 3.134 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.068 -0.295 3.023 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.285 -0.957 1.569 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.102 -3.372 3.025 1.00 1.54 H new ATOM 0 HD22 LEU A 5 5.888 -3.443 1.430 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.467 -4.481 2.755 1.00 1.54 H new ATOM 82 N THR A 6 8.393 -6.061 1.900 1.00 0.61 N ATOM 83 CA THR A 6 7.966 -7.139 1.046 1.00 0.63 C ATOM 84 C THR A 6 6.448 -7.381 1.126 1.00 0.57 C ATOM 85 O THR A 6 5.725 -6.642 1.802 1.00 0.59 O ATOM 86 CB THR A 6 8.729 -8.419 1.393 1.00 0.79 C ATOM 87 OG1 THR A 6 8.690 -8.613 2.827 1.00 0.95 O ATOM 88 CG2 THR A 6 10.172 -8.343 0.909 1.00 0.97 C ATOM 0 H THR A 6 8.380 -6.282 2.896 1.00 0.61 H new ATOM 0 HA THR A 6 8.191 -6.850 0.019 1.00 0.63 H new ATOM 0 HB THR A 6 8.256 -9.264 0.892 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.175 -9.432 3.060 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.692 -9.265 1.168 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.186 -8.210 -0.173 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.671 -7.499 1.385 1.00 0.97 H new ATOM 96 N THR A 7 5.994 -8.447 0.492 1.00 0.60 N ATOM 97 CA THR A 7 4.597 -8.814 0.440 1.00 0.59 C ATOM 98 C THR A 7 4.102 -9.188 1.857 1.00 0.53 C ATOM 99 O THR A 7 3.081 -8.678 2.322 1.00 0.56 O ATOM 100 CB THR A 7 4.449 -10.018 -0.516 1.00 0.69 C ATOM 101 OG1 THR A 7 5.226 -9.757 -1.704 1.00 0.90 O ATOM 102 CG2 THR A 7 2.992 -10.212 -0.919 1.00 0.81 C ATOM 0 H THR A 7 6.602 -9.093 -0.011 1.00 0.60 H new ATOM 0 HA THR A 7 3.998 -7.979 0.078 1.00 0.59 H new ATOM 0 HB THR A 7 4.797 -10.918 -0.010 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.144 -10.514 -2.321 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.911 -11.065 -1.592 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.389 -10.394 -0.029 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.632 -9.316 -1.424 1.00 0.81 H new ATOM 110 N ASP A 8 4.857 -10.055 2.537 1.00 0.54 N ATOM 111 CA ASP A 8 4.533 -10.501 3.916 1.00 0.54 C ATOM 112 C ASP A 8 4.478 -9.324 4.869 1.00 0.52 C ATOM 113 O ASP A 8 3.653 -9.283 5.794 1.00 0.54 O ATOM 114 CB ASP A 8 5.566 -11.520 4.444 1.00 0.63 C ATOM 115 CG ASP A 8 5.454 -12.896 3.827 1.00 1.48 C ATOM 116 OD1 ASP A 8 5.732 -13.052 2.617 1.00 2.26 O ATOM 117 OD2 ASP A 8 5.087 -13.862 4.548 1.00 1.98 O ATOM 0 H ASP A 8 5.708 -10.472 2.159 1.00 0.54 H new ATOM 0 HA ASP A 8 3.555 -10.980 3.867 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.568 -11.133 4.260 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.452 -11.609 5.524 1.00 0.63 H new ATOM 122 N ASP A 9 5.342 -8.363 4.635 1.00 0.57 N ATOM 123 CA ASP A 9 5.407 -7.174 5.465 1.00 0.64 C ATOM 124 C ASP A 9 4.223 -6.266 5.188 1.00 0.59 C ATOM 125 O ASP A 9 3.565 -5.790 6.117 1.00 0.63 O ATOM 126 CB ASP A 9 6.716 -6.425 5.244 1.00 0.79 C ATOM 127 CG ASP A 9 6.830 -5.194 6.115 1.00 1.60 C ATOM 128 OD1 ASP A 9 7.097 -5.323 7.320 1.00 1.70 O ATOM 129 OD2 ASP A 9 6.653 -4.068 5.607 1.00 2.47 O ATOM 0 H ASP A 9 6.017 -8.379 3.870 1.00 0.57 H new ATOM 0 HA ASP A 9 5.368 -7.488 6.508 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.553 -7.092 5.451 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.792 -6.134 4.196 1.00 0.79 H new ATOM 134 N LEU A 10 3.929 -6.063 3.907 1.00 0.54 N ATOM 135 CA LEU A 10 2.791 -5.246 3.483 1.00 0.54 C ATOM 136 C LEU A 10 1.488 -5.836 3.996 1.00 0.53 C ATOM 137 O LEU A 10 0.590 -5.103 4.399 1.00 0.59 O ATOM 138 CB LEU A 10 2.729 -5.118 1.954 1.00 0.55 C ATOM 139 CG LEU A 10 1.552 -4.286 1.399 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.646 -2.833 1.845 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.476 -4.386 -0.115 1.00 0.65 C ATOM 0 H LEU A 10 4.468 -6.457 3.136 1.00 0.54 H new ATOM 0 HA LEU A 10 2.930 -4.252 3.907 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.661 -4.672 1.607 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.676 -6.119 1.526 1.00 0.55 H new ATOM 0 HG LEU A 10 0.632 -4.702 1.809 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.804 -2.273 1.439 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.623 -2.784 2.934 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.579 -2.401 1.482 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.638 -3.790 -0.477 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.402 -4.012 -0.551 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.333 -5.427 -0.404 1.00 0.65 H new ATOM 153 N ARG A 11 1.414 -7.169 4.000 1.00 0.49 N ATOM 154 CA ARG A 11 0.238 -7.910 4.460 1.00 0.50 C ATOM 155 C ARG A 11 -0.155 -7.474 5.867 1.00 0.54 C ATOM 156 O ARG A 11 -1.319 -7.363 6.169 1.00 0.63 O ATOM 157 CB ARG A 11 0.511 -9.429 4.407 1.00 0.51 C ATOM 158 CG ARG A 11 -0.696 -10.320 4.714 1.00 0.61 C ATOM 159 CD ARG A 11 -0.352 -11.801 4.549 1.00 0.72 C ATOM 160 NE ARG A 11 0.690 -12.223 5.494 1.00 0.96 N ATOM 161 CZ ARG A 11 1.477 -13.305 5.390 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.421 -14.096 4.321 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.352 -13.561 6.359 1.00 1.80 N ATOM 0 H ARG A 11 2.175 -7.769 3.681 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.597 -7.688 3.796 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.885 -9.680 3.414 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.305 -9.664 5.115 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.037 -10.135 5.733 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.520 -10.060 4.050 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.248 -12.402 4.702 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.015 -11.985 3.529 1.00 0.72 H new ATOM 0 HE ARG A 11 0.830 -11.633 6.314 1.00 0.96 H new ATOM 0 HH11 ARG A 11 0.772 -13.884 3.563 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.027 -14.914 4.260 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.417 -12.939 7.165 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.958 -14.379 6.296 1.00 1.80 H new ATOM 177 N ARG A 12 0.838 -7.149 6.682 1.00 0.54 N ATOM 178 CA ARG A 12 0.600 -6.724 8.055 1.00 0.60 C ATOM 179 C ARG A 12 -0.158 -5.396 8.069 1.00 0.58 C ATOM 180 O ARG A 12 -1.264 -5.308 8.598 1.00 0.66 O ATOM 181 CB ARG A 12 1.920 -6.560 8.805 1.00 0.68 C ATOM 182 CG ARG A 12 2.792 -7.798 8.815 1.00 0.80 C ATOM 183 CD ARG A 12 4.089 -7.534 9.539 1.00 0.96 C ATOM 184 NE ARG A 12 4.989 -8.692 9.531 1.00 1.50 N ATOM 185 CZ ARG A 12 6.207 -8.712 10.078 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.644 -7.669 10.763 1.00 2.23 N ATOM 187 NH2 ARG A 12 6.950 -9.794 9.957 1.00 2.93 N ATOM 0 H ARG A 12 1.822 -7.172 6.415 1.00 0.54 H new ATOM 0 HA ARG A 12 0.004 -7.490 8.550 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.480 -5.740 8.355 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.706 -6.273 9.834 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.261 -8.618 9.298 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.999 -8.111 7.792 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.592 -6.685 9.076 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.874 -7.254 10.570 1.00 0.96 H new ATOM 0 HE ARG A 12 4.661 -9.543 9.075 1.00 1.50 H new ATOM 0 HH11 ARG A 12 6.050 -6.847 10.874 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.575 -7.686 11.180 1.00 2.23 H new ATOM 0 HH21 ARG A 12 6.593 -10.604 9.450 1.00 2.93 H new ATOM 0 HH22 ARG A 12 7.882 -9.821 10.370 1.00 2.93 H new ATOM 201 N ALA A 13 0.411 -4.398 7.414 1.00 0.54 N ATOM 202 CA ALA A 13 -0.154 -3.047 7.411 1.00 0.58 C ATOM 203 C ALA A 13 -1.453 -2.983 6.622 1.00 0.56 C ATOM 204 O ALA A 13 -2.349 -2.184 6.933 1.00 0.65 O ATOM 205 CB ALA A 13 0.853 -2.040 6.867 1.00 0.66 C ATOM 0 H ALA A 13 1.270 -4.493 6.872 1.00 0.54 H new ATOM 0 HA ALA A 13 -0.382 -2.787 8.445 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.411 -1.044 6.874 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.746 -2.045 7.491 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.122 -2.310 5.846 1.00 0.66 H new ATOM 211 N LEU A 14 -1.562 -3.831 5.615 1.00 0.53 N ATOM 212 CA LEU A 14 -2.734 -3.882 4.789 1.00 0.59 C ATOM 213 C LEU A 14 -3.905 -4.524 5.563 1.00 0.75 C ATOM 214 O LEU A 14 -5.056 -4.381 5.187 1.00 1.02 O ATOM 215 CB LEU A 14 -2.428 -4.609 3.479 1.00 0.54 C ATOM 216 CG LEU A 14 -3.413 -4.386 2.336 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.444 -2.915 1.946 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.029 -5.228 1.142 1.00 1.06 C ATOM 0 H LEU A 14 -0.836 -4.499 5.355 1.00 0.53 H new ATOM 0 HA LEU A 14 -3.040 -2.869 4.528 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.438 -4.304 3.142 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.379 -5.678 3.685 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.407 -4.683 2.672 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.151 -2.770 1.129 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.753 -2.318 2.804 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.450 -2.603 1.625 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.740 -5.059 0.334 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.029 -4.952 0.809 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.040 -6.282 1.421 1.00 1.06 H new ATOM 230 N VAL A 15 -3.592 -5.261 6.620 1.00 0.71 N ATOM 231 CA VAL A 15 -4.629 -5.752 7.525 1.00 0.83 C ATOM 232 C VAL A 15 -4.930 -4.665 8.571 1.00 0.85 C ATOM 233 O VAL A 15 -6.086 -4.373 8.854 1.00 0.98 O ATOM 234 CB VAL A 15 -4.216 -7.076 8.246 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.280 -7.489 9.274 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.050 -8.198 7.238 1.00 0.91 C ATOM 0 H VAL A 15 -2.641 -5.531 6.872 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.515 -5.975 6.931 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.269 -6.896 8.756 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.973 -8.413 9.764 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.390 -6.702 10.020 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.233 -7.646 8.768 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.762 -9.113 7.756 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.992 -8.359 6.714 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.276 -7.930 6.519 1.00 0.91 H new ATOM 246 N GLU A 16 -3.867 -4.062 9.122 1.00 0.81 N ATOM 247 CA GLU A 16 -3.967 -3.003 10.143 1.00 0.87 C ATOM 248 C GLU A 16 -4.894 -1.857 9.734 1.00 0.89 C ATOM 249 O GLU A 16 -5.630 -1.322 10.563 1.00 1.05 O ATOM 250 CB GLU A 16 -2.604 -2.405 10.459 1.00 0.91 C ATOM 251 CG GLU A 16 -1.594 -3.367 11.021 1.00 1.00 C ATOM 252 CD GLU A 16 -0.355 -2.647 11.481 1.00 1.30 C ATOM 253 OE1 GLU A 16 -0.336 -2.171 12.633 1.00 1.91 O ATOM 254 OE2 GLU A 16 0.605 -2.511 10.694 1.00 1.90 O ATOM 0 H GLU A 16 -2.906 -4.295 8.872 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.384 -3.497 11.020 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.197 -1.968 9.547 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.739 -1.590 11.170 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -2.033 -3.912 11.857 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.329 -4.105 10.263 1.00 1.00 H new ATOM 261 N SER A 17 -4.864 -1.495 8.479 1.00 0.82 N ATOM 262 CA SER A 17 -5.648 -0.369 7.994 1.00 0.93 C ATOM 263 C SER A 17 -7.062 -0.824 7.549 1.00 1.03 C ATOM 264 O SER A 17 -7.902 -0.013 7.121 1.00 1.22 O ATOM 265 CB SER A 17 -4.880 0.299 6.859 1.00 0.96 C ATOM 266 OG SER A 17 -3.521 0.525 7.253 1.00 1.58 O ATOM 0 H SER A 17 -4.305 -1.960 7.764 1.00 0.82 H new ATOM 0 HA SER A 17 -5.798 0.354 8.796 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.909 -0.330 5.969 1.00 0.96 H new ATOM 0 HB3 SER A 17 -5.353 1.245 6.596 1.00 0.96 H new ATOM 0 HG SER A 17 -3.011 -0.307 7.160 1.00 1.58 H new ATOM 351 N ASP A 25 -9.433 -11.453 3.281 1.00 1.06 N ATOM 352 CA ASP A 25 -8.484 -12.521 3.506 1.00 1.14 C ATOM 353 C ASP A 25 -7.274 -12.322 2.607 1.00 0.91 C ATOM 354 O ASP A 25 -7.340 -12.520 1.397 1.00 1.11 O ATOM 355 CB ASP A 25 -9.129 -13.897 3.261 1.00 1.52 C ATOM 356 CG ASP A 25 -8.128 -15.040 3.296 1.00 1.99 C ATOM 357 OD1 ASP A 25 -7.381 -15.166 4.298 1.00 2.49 O ATOM 358 OD2 ASP A 25 -8.045 -15.810 2.318 1.00 2.41 O ATOM 0 HA ASP A 25 -8.163 -12.493 4.547 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.897 -14.071 4.015 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.629 -13.890 2.293 1.00 1.52 H new ATOM 363 N LEU A 26 -6.183 -11.904 3.206 1.00 0.84 N ATOM 364 CA LEU A 26 -4.939 -11.621 2.489 1.00 0.77 C ATOM 365 C LEU A 26 -4.047 -12.852 2.414 1.00 0.86 C ATOM 366 O LEU A 26 -2.848 -12.749 2.141 1.00 1.05 O ATOM 367 CB LEU A 26 -4.157 -10.455 3.144 1.00 0.94 C ATOM 368 CG LEU A 26 -4.650 -9.017 2.892 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.035 -8.759 3.459 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.658 -8.030 3.460 1.00 1.11 C ATOM 0 H LEU A 26 -6.123 -11.746 4.212 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.221 -11.329 1.478 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -4.151 -10.621 4.221 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.122 -10.517 2.806 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.727 -8.887 1.812 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.328 -7.730 3.250 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.750 -9.440 2.997 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.023 -8.921 4.537 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.011 -7.015 3.279 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -3.556 -8.193 4.533 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -2.690 -8.169 2.978 1.00 1.11 H new ATOM 382 N SER A 27 -4.621 -13.996 2.641 1.00 0.96 N ATOM 383 CA SER A 27 -3.880 -15.224 2.560 1.00 1.13 C ATOM 384 C SER A 27 -3.852 -15.654 1.098 1.00 1.20 C ATOM 385 O SER A 27 -4.855 -15.508 0.390 1.00 1.66 O ATOM 386 CB SER A 27 -4.554 -16.293 3.416 1.00 1.36 C ATOM 387 OG SER A 27 -4.841 -15.788 4.725 1.00 1.89 O ATOM 0 H SER A 27 -5.605 -14.107 2.885 1.00 0.96 H new ATOM 0 HA SER A 27 -2.864 -15.086 2.930 1.00 1.13 H new ATOM 0 HB2 SER A 27 -5.477 -16.621 2.937 1.00 1.36 H new ATOM 0 HB3 SER A 27 -3.906 -17.167 3.492 1.00 1.36 H new ATOM 0 HG SER A 27 -5.775 -15.494 4.765 1.00 1.89 H new ATOM 393 N GLY A 28 -2.735 -16.151 0.645 1.00 1.48 N ATOM 394 CA GLY A 28 -2.604 -16.520 -0.740 1.00 1.67 C ATOM 395 C GLY A 28 -1.952 -15.402 -1.499 1.00 1.54 C ATOM 396 O GLY A 28 -0.778 -15.073 -1.246 1.00 2.30 O ATOM 0 H GLY A 28 -1.902 -16.310 1.212 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.010 -17.429 -0.830 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.585 -16.737 -1.163 1.00 1.67 H new ATOM 400 N ASP A 29 -2.682 -14.794 -2.389 1.00 1.09 N ATOM 401 CA ASP A 29 -2.172 -13.663 -3.127 1.00 1.07 C ATOM 402 C ASP A 29 -3.124 -12.506 -3.059 1.00 0.87 C ATOM 403 O ASP A 29 -4.264 -12.587 -3.518 1.00 1.13 O ATOM 404 CB ASP A 29 -1.829 -13.979 -4.596 1.00 1.48 C ATOM 405 CG ASP A 29 -1.276 -12.746 -5.326 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.051 -12.478 -5.240 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.043 -12.029 -5.977 1.00 2.97 O ATOM 0 H ASP A 29 -3.638 -15.060 -2.626 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.233 -13.397 -2.641 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.095 -14.784 -4.634 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.721 -14.337 -5.110 1.00 1.48 H new ATOM 412 N PHE A 30 -2.659 -11.448 -2.472 1.00 0.67 N ATOM 413 CA PHE A 30 -3.417 -10.226 -2.355 1.00 0.57 C ATOM 414 C PHE A 30 -2.683 -9.130 -3.116 1.00 0.49 C ATOM 415 O PHE A 30 -3.226 -8.063 -3.378 1.00 0.48 O ATOM 416 CB PHE A 30 -3.559 -9.819 -0.871 1.00 0.59 C ATOM 417 CG PHE A 30 -2.241 -9.500 -0.201 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.439 -10.503 0.312 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.799 -8.186 -0.114 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.233 -10.202 0.898 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.593 -7.881 0.467 1.00 0.65 C ATOM 422 CZ PHE A 30 0.191 -8.887 0.973 1.00 0.73 C ATOM 0 H PHE A 30 -1.730 -11.401 -2.052 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.415 -10.374 -2.769 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.212 -8.949 -0.803 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.047 -10.627 -0.327 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.763 -11.531 0.252 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.414 -7.391 -0.510 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.384 -10.992 1.300 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.263 -6.854 0.525 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.141 -8.652 1.431 1.00 0.73 H new ATOM 432 N LEU A 31 -1.446 -9.424 -3.481 1.00 0.54 N ATOM 433 CA LEU A 31 -0.560 -8.467 -4.104 1.00 0.60 C ATOM 434 C LEU A 31 -1.031 -8.127 -5.510 1.00 0.63 C ATOM 435 O LEU A 31 -0.886 -6.988 -5.968 1.00 0.72 O ATOM 436 CB LEU A 31 0.857 -9.039 -4.151 1.00 0.75 C ATOM 437 CG LEU A 31 1.975 -8.062 -4.460 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.117 -7.044 -3.336 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.284 -8.799 -4.697 1.00 1.43 C ATOM 0 H LEU A 31 -1.028 -10.345 -3.350 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.565 -7.551 -3.513 1.00 0.60 H new ATOM 0 HB2 LEU A 31 1.068 -9.505 -3.188 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.880 -9.831 -4.900 1.00 0.75 H new ATOM 0 HG LEU A 31 1.723 -7.526 -5.375 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.924 -6.350 -3.573 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.184 -6.492 -3.225 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.345 -7.561 -2.404 1.00 0.75 H new ATOM 0 HD21 LEU A 31 4.072 -8.079 -4.917 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.549 -9.366 -3.805 1.00 1.43 H new ATOM 0 HD23 LEU A 31 3.170 -9.481 -5.540 1.00 1.43 H new ATOM 451 N ASP A 32 -1.615 -9.102 -6.183 1.00 0.66 N ATOM 452 CA ASP A 32 -2.077 -8.904 -7.547 1.00 0.83 C ATOM 453 C ASP A 32 -3.600 -8.723 -7.545 1.00 0.73 C ATOM 454 O ASP A 32 -4.263 -8.692 -8.584 1.00 0.96 O ATOM 455 CB ASP A 32 -1.663 -10.109 -8.390 1.00 1.10 C ATOM 456 CG ASP A 32 -1.706 -9.863 -9.865 1.00 1.70 C ATOM 457 OD1 ASP A 32 -0.749 -9.250 -10.392 1.00 2.33 O ATOM 458 OD2 ASP A 32 -2.634 -10.325 -10.546 1.00 2.26 O ATOM 0 H ASP A 32 -1.781 -10.037 -5.810 1.00 0.66 H new ATOM 0 HA ASP A 32 -1.628 -8.009 -7.977 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -0.652 -10.405 -8.111 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.317 -10.948 -8.153 1.00 1.10 H new ATOM 463 N LEU A 33 -4.140 -8.576 -6.359 1.00 0.50 N ATOM 464 CA LEU A 33 -5.558 -8.381 -6.165 1.00 0.50 C ATOM 465 C LEU A 33 -5.809 -6.871 -6.232 1.00 0.50 C ATOM 466 O LEU A 33 -4.862 -6.110 -6.252 1.00 0.78 O ATOM 467 CB LEU A 33 -5.962 -8.997 -4.811 1.00 0.49 C ATOM 468 CG LEU A 33 -7.453 -9.121 -4.487 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.166 -9.946 -5.552 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.625 -9.771 -3.116 1.00 0.70 C ATOM 0 H LEU A 33 -3.602 -8.588 -5.492 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.163 -8.872 -6.927 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.526 -9.994 -4.756 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.499 -8.402 -4.024 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.895 -8.125 -4.473 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.225 -10.023 -5.304 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.055 -9.462 -6.522 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -7.729 -10.944 -5.592 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.687 -9.859 -2.886 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.172 -10.762 -3.124 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.139 -9.156 -2.358 1.00 0.70 H new ATOM 482 N ARG A 34 -7.036 -6.432 -6.279 1.00 0.34 N ATOM 483 CA ARG A 34 -7.283 -5.006 -6.455 1.00 0.37 C ATOM 484 C ARG A 34 -7.560 -4.323 -5.122 1.00 0.35 C ATOM 485 O ARG A 34 -8.126 -4.938 -4.217 1.00 0.40 O ATOM 486 CB ARG A 34 -8.457 -4.777 -7.401 1.00 0.45 C ATOM 487 CG ARG A 34 -8.289 -5.404 -8.781 1.00 0.60 C ATOM 488 CD ARG A 34 -9.416 -4.973 -9.702 1.00 1.01 C ATOM 489 NE ARG A 34 -9.388 -3.521 -9.881 1.00 1.74 N ATOM 490 CZ ARG A 34 -10.427 -2.694 -9.751 1.00 2.51 C ATOM 491 NH1 ARG A 34 -11.648 -3.165 -9.542 1.00 2.74 N ATOM 492 NH2 ARG A 34 -10.226 -1.401 -9.833 1.00 3.50 N ATOM 0 H ARG A 34 -7.870 -7.014 -6.201 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.383 -4.569 -6.887 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.361 -5.177 -6.942 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.608 -3.704 -7.519 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.330 -5.108 -9.207 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.278 -6.490 -8.694 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.317 -5.469 -10.668 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -10.375 -5.278 -9.284 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.491 -3.102 -10.128 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.803 -4.171 -9.479 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -12.433 -2.521 -9.444 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -9.286 -1.040 -9.994 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -11.010 -0.756 -9.736 1.00 3.50 H new ATOM 506 N PHE A 35 -7.179 -3.049 -5.004 1.00 0.36 N ATOM 507 CA PHE A 35 -7.447 -2.262 -3.790 1.00 0.39 C ATOM 508 C PHE A 35 -8.930 -2.151 -3.516 1.00 0.47 C ATOM 509 O PHE A 35 -9.362 -2.291 -2.382 1.00 0.54 O ATOM 510 CB PHE A 35 -6.818 -0.858 -3.820 1.00 0.41 C ATOM 511 CG PHE A 35 -5.363 -0.807 -3.452 1.00 0.38 C ATOM 512 CD1 PHE A 35 -4.944 -1.069 -2.163 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.406 -0.532 -4.420 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.601 -1.047 -1.839 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.062 -0.512 -4.105 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.686 -0.652 -2.726 1.00 0.47 C ATOM 0 H PHE A 35 -6.683 -2.537 -5.733 1.00 0.36 H new ATOM 0 HA PHE A 35 -6.971 -2.813 -2.979 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -6.939 -0.443 -4.821 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.373 -0.213 -3.138 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.674 -1.294 -1.399 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.718 -0.331 -5.434 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.287 -1.354 -0.852 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.314 -0.394 -4.875 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.675 -0.440 -2.411 1.00 0.47 H new ATOM 526 N GLU A 36 -9.708 -1.951 -4.554 1.00 0.57 N ATOM 527 CA GLU A 36 -11.156 -1.857 -4.412 1.00 0.76 C ATOM 528 C GLU A 36 -11.750 -3.176 -3.934 1.00 0.74 C ATOM 529 O GLU A 36 -12.802 -3.206 -3.300 1.00 0.87 O ATOM 530 CB GLU A 36 -11.804 -1.431 -5.720 1.00 0.97 C ATOM 531 CG GLU A 36 -11.464 -0.017 -6.136 1.00 1.31 C ATOM 532 CD GLU A 36 -12.090 0.354 -7.448 1.00 1.56 C ATOM 533 OE1 GLU A 36 -13.336 0.374 -7.542 1.00 2.06 O ATOM 534 OE2 GLU A 36 -11.347 0.649 -8.408 1.00 1.81 O ATOM 0 H GLU A 36 -9.369 -1.849 -5.511 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.363 -1.097 -3.659 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.494 -2.117 -6.509 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.886 -1.522 -5.626 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.800 0.677 -5.366 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.382 0.088 -6.209 1.00 1.31 H new ATOM 541 N ASP A 37 -11.052 -4.254 -4.202 1.00 0.66 N ATOM 542 CA ASP A 37 -11.521 -5.573 -3.823 1.00 0.73 C ATOM 543 C ASP A 37 -11.161 -5.868 -2.377 1.00 0.73 C ATOM 544 O ASP A 37 -11.900 -6.524 -1.672 1.00 0.89 O ATOM 545 CB ASP A 37 -10.958 -6.642 -4.747 1.00 0.75 C ATOM 546 CG ASP A 37 -11.576 -7.993 -4.488 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.701 -8.237 -4.980 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.968 -8.816 -3.802 1.00 2.20 O ATOM 0 H ASP A 37 -10.153 -4.247 -4.683 1.00 0.66 H new ATOM 0 HA ASP A 37 -12.607 -5.588 -3.920 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.134 -6.355 -5.784 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -9.878 -6.705 -4.613 1.00 0.75 H new ATOM 553 N ILE A 38 -10.043 -5.314 -1.923 1.00 0.63 N ATOM 554 CA ILE A 38 -9.616 -5.476 -0.526 1.00 0.68 C ATOM 555 C ILE A 38 -10.197 -4.372 0.371 1.00 0.68 C ATOM 556 O ILE A 38 -9.736 -4.148 1.481 1.00 0.73 O ATOM 557 CB ILE A 38 -8.071 -5.552 -0.358 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.384 -4.325 -0.971 1.00 0.55 C ATOM 559 CG2 ILE A 38 -7.522 -6.843 -0.947 1.00 0.80 C ATOM 560 CD1 ILE A 38 -5.881 -4.323 -0.859 1.00 0.64 C ATOM 0 H ILE A 38 -9.414 -4.750 -2.494 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.016 -6.438 -0.207 1.00 0.68 H new ATOM 0 HB ILE A 38 -7.851 -5.552 0.710 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -7.656 -4.262 -2.025 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -7.772 -3.429 -0.487 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -6.440 -6.871 -0.817 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -7.971 -7.695 -0.437 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -7.761 -6.889 -2.010 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.483 -3.419 -1.319 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -5.594 -4.352 0.192 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -5.477 -5.197 -1.369 1.00 0.64 H new ATOM 572 N GLY A 39 -11.245 -3.731 -0.116 1.00 0.69 N ATOM 573 CA GLY A 39 -11.945 -2.717 0.647 1.00 0.77 C ATOM 574 C GLY A 39 -11.193 -1.397 0.788 1.00 0.65 C ATOM 575 O GLY A 39 -11.540 -0.576 1.644 1.00 0.74 O ATOM 0 H GLY A 39 -11.631 -3.898 -1.045 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -12.907 -2.523 0.172 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.154 -3.109 1.642 1.00 0.77 H new ATOM 579 N TYR A 40 -10.206 -1.158 -0.047 1.00 0.52 N ATOM 580 CA TYR A 40 -9.457 0.071 0.049 1.00 0.47 C ATOM 581 C TYR A 40 -9.992 1.168 -0.818 1.00 0.49 C ATOM 582 O TYR A 40 -10.033 1.078 -2.038 1.00 0.61 O ATOM 583 CB TYR A 40 -7.942 -0.109 -0.071 1.00 0.46 C ATOM 584 CG TYR A 40 -7.343 -0.618 1.212 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.510 -1.926 1.620 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.653 0.236 2.041 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.001 -2.368 2.815 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.148 -0.188 3.240 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.316 -1.487 3.625 1.00 0.81 C ATOM 590 OH TYR A 40 -5.827 -1.903 4.833 1.00 1.02 O ATOM 0 H TYR A 40 -9.908 -1.790 -0.790 1.00 0.52 H new ATOM 0 HA TYR A 40 -9.617 0.406 1.074 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -7.720 -0.806 -0.879 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.481 0.843 -0.336 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.051 -2.614 0.987 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.507 1.263 1.739 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.136 -3.396 3.118 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.618 0.503 3.880 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.905 -2.878 4.900 1.00 1.02 H new ATOM 600 N ASP A 41 -10.447 2.178 -0.138 1.00 0.48 N ATOM 601 CA ASP A 41 -11.005 3.370 -0.728 1.00 0.56 C ATOM 602 C ASP A 41 -9.864 4.403 -0.868 1.00 0.45 C ATOM 603 O ASP A 41 -8.723 4.110 -0.492 1.00 0.39 O ATOM 604 CB ASP A 41 -12.112 3.891 0.197 1.00 0.75 C ATOM 605 CG ASP A 41 -12.955 4.959 -0.423 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.941 4.637 -1.116 1.00 1.20 O ATOM 607 OD2 ASP A 41 -12.645 6.128 -0.258 1.00 2.01 O ATOM 0 H ASP A 41 -10.442 2.200 0.882 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.435 3.176 -1.711 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.752 3.058 0.489 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.659 4.280 1.109 1.00 0.75 H new ATOM 612 N SER A 42 -10.165 5.597 -1.335 1.00 0.57 N ATOM 613 CA SER A 42 -9.162 6.616 -1.601 1.00 0.62 C ATOM 614 C SER A 42 -8.502 7.085 -0.297 1.00 0.53 C ATOM 615 O SER A 42 -7.277 7.186 -0.197 1.00 0.54 O ATOM 616 CB SER A 42 -9.802 7.775 -2.369 1.00 0.83 C ATOM 617 OG SER A 42 -11.040 8.199 -1.691 1.00 1.24 O ATOM 0 H SER A 42 -11.119 5.893 -1.543 1.00 0.57 H new ATOM 0 HA SER A 42 -8.371 6.193 -2.220 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.105 8.611 -2.431 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.023 7.468 -3.391 1.00 0.83 H new ATOM 0 HG SER A 42 -11.446 8.942 -2.185 1.00 1.24 H new ATOM 622 N LEU A 43 -9.326 7.304 0.708 1.00 0.53 N ATOM 623 CA LEU A 43 -8.863 7.711 2.026 1.00 0.54 C ATOM 624 C LEU A 43 -8.083 6.583 2.698 1.00 0.45 C ATOM 625 O LEU A 43 -7.118 6.818 3.428 1.00 0.47 O ATOM 626 CB LEU A 43 -10.049 8.134 2.890 1.00 0.68 C ATOM 627 CG LEU A 43 -10.780 9.392 2.441 1.00 0.83 C ATOM 628 CD1 LEU A 43 -12.012 9.629 3.296 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.849 10.581 2.524 1.00 0.90 C ATOM 0 H LEU A 43 -10.339 7.205 0.637 1.00 0.53 H new ATOM 0 HA LEU A 43 -8.192 8.562 1.911 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.764 7.312 2.920 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.696 8.286 3.910 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.102 9.261 1.408 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.520 10.533 2.959 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.687 8.778 3.206 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.715 9.747 4.338 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.376 11.479 2.202 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.511 10.708 3.553 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.987 10.414 1.877 1.00 0.90 H new ATOM 641 N ALA A 44 -8.468 5.363 2.400 1.00 0.44 N ATOM 642 CA ALA A 44 -7.829 4.197 2.961 1.00 0.41 C ATOM 643 C ALA A 44 -6.480 3.954 2.287 1.00 0.35 C ATOM 644 O ALA A 44 -5.560 3.430 2.902 1.00 0.38 O ATOM 645 CB ALA A 44 -8.744 2.992 2.828 1.00 0.43 C ATOM 0 H ALA A 44 -9.234 5.152 1.761 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.642 4.364 4.022 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.255 2.115 3.253 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.676 3.182 3.360 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.958 2.812 1.774 1.00 0.43 H new ATOM 651 N LEU A 45 -6.366 4.361 1.025 1.00 0.34 N ATOM 652 CA LEU A 45 -5.112 4.247 0.280 1.00 0.33 C ATOM 653 C LEU A 45 -4.067 5.135 0.991 1.00 0.32 C ATOM 654 O LEU A 45 -2.930 4.717 1.205 1.00 0.36 O ATOM 655 CB LEU A 45 -5.311 4.748 -1.171 1.00 0.48 C ATOM 656 CG LEU A 45 -4.298 4.302 -2.274 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.850 4.370 -1.850 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.613 2.946 -2.829 1.00 0.37 C ATOM 0 H LEU A 45 -7.131 4.775 0.493 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.783 3.208 0.246 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.305 4.437 -1.493 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.310 5.838 -1.145 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.427 5.040 -3.066 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.214 4.044 -2.673 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.598 5.396 -1.581 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.692 3.720 -0.990 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.879 2.685 -3.591 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.581 2.208 -2.027 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.608 2.957 -3.273 1.00 0.37 H new ATOM 670 N MET A 46 -4.488 6.347 1.375 1.00 0.37 N ATOM 671 CA MET A 46 -3.620 7.322 2.088 1.00 0.46 C ATOM 672 C MET A 46 -3.077 6.660 3.320 1.00 0.48 C ATOM 673 O MET A 46 -1.896 6.726 3.633 1.00 0.54 O ATOM 674 CB MET A 46 -4.439 8.516 2.575 1.00 0.59 C ATOM 675 CG MET A 46 -5.353 9.119 1.566 1.00 0.54 C ATOM 676 SD MET A 46 -6.196 10.581 2.210 1.00 0.89 S ATOM 677 CE MET A 46 -4.788 11.627 2.594 1.00 1.84 C ATOM 0 H MET A 46 -5.434 6.688 1.206 1.00 0.37 H new ATOM 0 HA MET A 46 -2.836 7.648 1.405 1.00 0.46 H new ATOM 0 HB2 MET A 46 -5.031 8.202 3.435 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.753 9.287 2.925 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.784 9.390 0.677 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.092 8.380 1.258 1.00 0.54 H new ATOM 0 HE1 MET A 46 -5.045 12.668 2.400 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.522 11.508 3.644 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.941 11.340 1.971 1.00 1.84 H new ATOM 687 N GLU A 47 -3.976 6.012 3.981 1.00 0.49 N ATOM 688 CA GLU A 47 -3.756 5.285 5.180 1.00 0.55 C ATOM 689 C GLU A 47 -2.780 4.107 5.002 1.00 0.54 C ATOM 690 O GLU A 47 -2.148 3.679 5.948 1.00 0.71 O ATOM 691 CB GLU A 47 -5.120 4.882 5.691 1.00 0.58 C ATOM 692 CG GLU A 47 -5.730 5.888 6.636 1.00 0.82 C ATOM 693 CD GLU A 47 -4.915 6.050 7.895 1.00 1.48 C ATOM 694 OE1 GLU A 47 -3.893 6.760 7.873 1.00 2.31 O ATOM 695 OE2 GLU A 47 -5.274 5.452 8.928 1.00 1.84 O ATOM 0 H GLU A 47 -4.948 5.976 3.675 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.251 5.904 5.922 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.790 4.740 4.843 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.040 3.921 6.199 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.816 6.851 6.133 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.741 5.574 6.897 1.00 0.82 H new ATOM 702 N THR A 48 -2.647 3.628 3.792 1.00 0.42 N ATOM 703 CA THR A 48 -1.699 2.584 3.484 1.00 0.42 C ATOM 704 C THR A 48 -0.339 3.230 3.124 1.00 0.39 C ATOM 705 O THR A 48 0.675 3.004 3.793 1.00 0.41 O ATOM 706 CB THR A 48 -2.199 1.787 2.257 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.555 1.406 2.457 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.358 0.537 2.034 1.00 0.45 C ATOM 0 H THR A 48 -3.192 3.949 2.992 1.00 0.42 H new ATOM 0 HA THR A 48 -1.591 1.923 4.344 1.00 0.42 H new ATOM 0 HB THR A 48 -2.112 2.426 1.378 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.125 2.203 2.435 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.733 -0.003 1.165 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.320 0.822 1.864 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.419 -0.104 2.914 1.00 0.45 H new ATOM 716 N ALA A 49 -0.359 4.066 2.089 1.00 0.39 N ATOM 717 CA ALA A 49 0.837 4.685 1.524 1.00 0.40 C ATOM 718 C ALA A 49 1.598 5.538 2.538 1.00 0.42 C ATOM 719 O ALA A 49 2.770 5.268 2.815 1.00 0.41 O ATOM 720 CB ALA A 49 0.474 5.503 0.291 1.00 0.43 C ATOM 0 H ALA A 49 -1.219 4.336 1.612 1.00 0.39 H new ATOM 0 HA ALA A 49 1.509 3.878 1.234 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.374 5.959 -0.121 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.022 4.852 -0.457 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.234 6.284 0.568 1.00 0.43 H new ATOM 726 N ALA A 50 0.917 6.521 3.140 1.00 0.46 N ATOM 727 CA ALA A 50 1.566 7.456 4.073 1.00 0.51 C ATOM 728 C ALA A 50 2.095 6.731 5.299 1.00 0.49 C ATOM 729 O ALA A 50 3.084 7.144 5.914 1.00 0.49 O ATOM 730 CB ALA A 50 0.613 8.572 4.477 1.00 0.62 C ATOM 0 H ALA A 50 -0.079 6.691 3.000 1.00 0.46 H new ATOM 0 HA ALA A 50 2.415 7.904 3.556 1.00 0.51 H new ATOM 0 HB1 ALA A 50 1.117 9.249 5.167 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.301 9.123 3.590 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.263 8.144 4.964 1.00 0.62 H new ATOM 736 N ARG A 51 1.452 5.621 5.622 1.00 0.51 N ATOM 737 CA ARG A 51 1.858 4.785 6.728 1.00 0.54 C ATOM 738 C ARG A 51 3.245 4.233 6.437 1.00 0.50 C ATOM 739 O ARG A 51 4.155 4.353 7.247 1.00 0.61 O ATOM 740 CB ARG A 51 0.876 3.620 6.903 1.00 0.62 C ATOM 741 CG ARG A 51 1.218 2.580 7.983 1.00 0.87 C ATOM 742 CD ARG A 51 0.718 2.973 9.367 1.00 1.36 C ATOM 743 NE ARG A 51 -0.704 3.321 9.322 1.00 2.18 N ATOM 744 CZ ARG A 51 -1.697 2.575 9.813 1.00 3.05 C ATOM 745 NH1 ARG A 51 -1.439 1.456 10.492 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.949 2.955 9.631 1.00 3.91 N ATOM 0 H ARG A 51 0.633 5.278 5.121 1.00 0.51 H new ATOM 0 HA ARG A 51 1.868 5.376 7.644 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.106 4.035 7.130 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.790 3.102 5.948 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.784 1.620 7.705 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.299 2.443 8.018 1.00 0.87 H new ATOM 0 HD2 ARG A 51 0.874 2.149 10.064 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.294 3.820 9.741 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.956 4.205 8.880 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.474 1.161 10.641 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -2.207 0.895 10.862 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -3.152 3.813 9.118 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -3.713 2.390 10.003 1.00 3.91 H new ATOM 760 N LEU A 52 3.392 3.673 5.252 1.00 0.41 N ATOM 761 CA LEU A 52 4.632 3.065 4.818 1.00 0.39 C ATOM 762 C LEU A 52 5.696 4.131 4.627 1.00 0.36 C ATOM 763 O LEU A 52 6.867 3.921 4.970 1.00 0.38 O ATOM 764 CB LEU A 52 4.402 2.289 3.524 1.00 0.36 C ATOM 765 CG LEU A 52 3.304 1.227 3.590 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.109 0.570 2.241 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.601 0.190 4.677 1.00 0.48 C ATOM 0 H LEU A 52 2.646 3.628 4.558 1.00 0.41 H new ATOM 0 HA LEU A 52 4.979 2.369 5.582 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.154 2.997 2.733 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.336 1.806 3.238 1.00 0.36 H new ATOM 0 HG LEU A 52 2.371 1.723 3.858 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.323 -0.182 2.313 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.824 1.324 1.507 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.039 0.094 1.930 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.803 -0.552 4.700 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.549 -0.303 4.460 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.663 0.686 5.646 1.00 0.48 H new ATOM 779 N GLU A 53 5.271 5.280 4.109 1.00 0.35 N ATOM 780 CA GLU A 53 6.141 6.428 3.929 1.00 0.37 C ATOM 781 C GLU A 53 6.779 6.846 5.235 1.00 0.41 C ATOM 782 O GLU A 53 7.992 6.956 5.310 1.00 0.45 O ATOM 783 CB GLU A 53 5.388 7.603 3.327 1.00 0.40 C ATOM 784 CG GLU A 53 4.978 7.403 1.890 1.00 0.44 C ATOM 785 CD GLU A 53 4.171 8.555 1.370 1.00 0.56 C ATOM 786 OE1 GLU A 53 4.708 9.689 1.277 1.00 0.65 O ATOM 787 OE2 GLU A 53 3.008 8.364 1.035 1.00 0.91 O ATOM 0 H GLU A 53 4.311 5.437 3.803 1.00 0.35 H new ATOM 0 HA GLU A 53 6.928 6.126 3.238 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.496 7.793 3.924 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.013 8.494 3.394 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.868 7.276 1.273 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.397 6.485 1.803 1.00 0.44 H new ATOM 794 N SER A 54 5.976 7.038 6.271 1.00 0.45 N ATOM 795 CA SER A 54 6.509 7.459 7.554 1.00 0.54 C ATOM 796 C SER A 54 7.260 6.315 8.259 1.00 0.52 C ATOM 797 O SER A 54 8.255 6.546 8.954 1.00 0.62 O ATOM 798 CB SER A 54 5.388 7.999 8.435 1.00 0.69 C ATOM 799 OG SER A 54 4.684 9.051 7.767 1.00 1.38 O ATOM 0 H SER A 54 4.964 6.910 6.248 1.00 0.45 H new ATOM 0 HA SER A 54 7.231 8.256 7.375 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.697 7.195 8.687 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.802 8.369 9.373 1.00 0.69 H new ATOM 0 HG SER A 54 4.083 8.667 7.095 1.00 1.38 H new ATOM 805 N ARG A 55 6.788 5.095 8.046 1.00 0.53 N ATOM 806 CA ARG A 55 7.359 3.895 8.663 1.00 0.62 C ATOM 807 C ARG A 55 8.801 3.634 8.184 1.00 0.57 C ATOM 808 O ARG A 55 9.684 3.342 8.991 1.00 0.68 O ATOM 809 CB ARG A 55 6.451 2.694 8.360 1.00 0.78 C ATOM 810 CG ARG A 55 6.845 1.381 9.001 1.00 0.95 C ATOM 811 CD ARG A 55 5.849 0.293 8.612 1.00 1.19 C ATOM 812 NE ARG A 55 6.206 -1.017 9.161 1.00 1.42 N ATOM 813 CZ ARG A 55 6.289 -2.141 8.433 1.00 1.79 C ATOM 814 NH1 ARG A 55 5.886 -2.137 7.168 1.00 1.97 N ATOM 815 NH2 ARG A 55 6.703 -3.272 8.973 1.00 2.41 N ATOM 0 H ARG A 55 5.993 4.903 7.437 1.00 0.53 H new ATOM 0 HA ARG A 55 7.412 4.048 9.741 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.438 2.941 8.679 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.419 2.552 7.280 1.00 0.78 H new ATOM 0 HG2 ARG A 55 7.848 1.098 8.683 1.00 0.95 H new ATOM 0 HG3 ARG A 55 6.873 1.490 10.085 1.00 0.95 H new ATOM 0 HD2 ARG A 55 4.856 0.572 8.963 1.00 1.19 H new ATOM 0 HD3 ARG A 55 5.796 0.226 7.525 1.00 1.19 H new ATOM 0 HE ARG A 55 6.404 -1.079 10.160 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.515 -1.282 6.754 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.947 -2.989 6.611 1.00 1.97 H new ATOM 0 HH21 ARG A 55 6.966 -3.301 9.958 1.00 2.41 H new ATOM 0 HH22 ARG A 55 6.760 -4.117 8.405 1.00 2.41 H new ATOM 829 N TYR A 56 9.028 3.729 6.885 1.00 0.49 N ATOM 830 CA TYR A 56 10.359 3.484 6.334 1.00 0.54 C ATOM 831 C TYR A 56 11.142 4.763 6.084 1.00 0.53 C ATOM 832 O TYR A 56 12.355 4.806 6.288 1.00 0.71 O ATOM 833 CB TYR A 56 10.291 2.624 5.062 1.00 0.57 C ATOM 834 CG TYR A 56 9.908 1.185 5.333 1.00 0.68 C ATOM 835 CD1 TYR A 56 8.581 0.803 5.446 1.00 0.66 C ATOM 836 CD2 TYR A 56 10.884 0.215 5.498 1.00 0.94 C ATOM 837 CE1 TYR A 56 8.238 -0.503 5.711 1.00 0.82 C ATOM 838 CE2 TYR A 56 10.549 -1.093 5.769 1.00 1.09 C ATOM 839 CZ TYR A 56 9.227 -1.449 5.872 1.00 1.02 C ATOM 840 OH TYR A 56 8.901 -2.752 6.170 1.00 1.20 O ATOM 0 H TYR A 56 8.318 3.971 6.194 1.00 0.49 H new ATOM 0 HA TYR A 56 10.904 2.927 7.096 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.568 3.062 4.374 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.260 2.647 4.564 1.00 0.57 H new ATOM 0 HD1 TYR A 56 7.803 1.542 5.324 1.00 0.66 H new ATOM 0 HD2 TYR A 56 11.925 0.490 5.413 1.00 0.94 H new ATOM 0 HE1 TYR A 56 7.199 -0.785 5.792 1.00 0.82 H new ATOM 0 HE2 TYR A 56 11.323 -1.835 5.900 1.00 1.09 H new ATOM 0 HH TYR A 56 7.967 -2.919 5.926 1.00 1.20 H new ATOM 850 N GLY A 57 10.461 5.800 5.686 1.00 0.44 N ATOM 851 CA GLY A 57 11.137 7.033 5.388 1.00 0.45 C ATOM 852 C GLY A 57 11.202 7.288 3.898 1.00 0.45 C ATOM 853 O GLY A 57 12.280 7.497 3.340 1.00 0.60 O ATOM 0 H GLY A 57 9.449 5.819 5.561 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.620 7.859 5.877 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.147 7.003 5.797 1.00 0.45 H new ATOM 857 N VAL A 58 10.055 7.259 3.253 1.00 0.37 N ATOM 858 CA VAL A 58 9.960 7.507 1.819 1.00 0.39 C ATOM 859 C VAL A 58 8.871 8.541 1.566 1.00 0.40 C ATOM 860 O VAL A 58 8.299 9.076 2.524 1.00 0.42 O ATOM 861 CB VAL A 58 9.678 6.210 0.976 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.771 5.181 1.168 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.326 5.596 1.325 1.00 0.38 C ATOM 0 H VAL A 58 9.160 7.064 3.702 1.00 0.37 H new ATOM 0 HA VAL A 58 10.931 7.877 1.490 1.00 0.39 H new ATOM 0 HB VAL A 58 9.660 6.512 -0.071 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.547 4.296 0.572 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.725 5.600 0.850 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.829 4.904 2.221 1.00 0.49 H new ATOM 0 HG21 VAL A 58 8.166 4.702 0.723 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.309 5.329 2.382 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.535 6.318 1.120 1.00 0.38 H new ATOM 873 N SER A 59 8.575 8.825 0.318 1.00 0.46 N ATOM 874 CA SER A 59 7.516 9.755 -0.022 1.00 0.56 C ATOM 875 C SER A 59 6.897 9.408 -1.375 1.00 0.54 C ATOM 876 O SER A 59 7.615 9.040 -2.327 1.00 0.61 O ATOM 877 CB SER A 59 8.042 11.198 -0.023 1.00 0.79 C ATOM 878 OG SER A 59 8.556 11.548 1.258 1.00 1.33 O ATOM 0 H SER A 59 9.056 8.423 -0.486 1.00 0.46 H new ATOM 0 HA SER A 59 6.738 9.672 0.737 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.823 11.305 -0.775 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.239 11.883 -0.298 1.00 0.79 H new ATOM 0 HG SER A 59 8.888 12.470 1.237 1.00 1.33 H new ATOM 884 N ILE A 60 5.584 9.469 -1.434 1.00 0.48 N ATOM 885 CA ILE A 60 4.829 9.242 -2.652 1.00 0.46 C ATOM 886 C ILE A 60 3.865 10.415 -2.840 1.00 0.50 C ATOM 887 O ILE A 60 3.139 10.769 -1.899 1.00 0.58 O ATOM 888 CB ILE A 60 3.987 7.918 -2.593 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.884 6.689 -2.385 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.146 7.748 -3.864 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.113 5.390 -2.268 1.00 1.13 C ATOM 0 H ILE A 60 5.000 9.681 -0.625 1.00 0.48 H new ATOM 0 HA ILE A 60 5.536 9.155 -3.477 1.00 0.46 H new ATOM 0 HB ILE A 60 3.317 7.998 -1.737 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.582 6.614 -3.218 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.479 6.832 -1.483 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.572 6.824 -3.799 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.464 8.593 -3.965 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.803 7.707 -4.732 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.810 4.565 -2.123 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.434 5.445 -1.417 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.539 5.224 -3.180 1.00 1.13 H new ATOM 903 N PRO A 61 3.878 11.071 -4.025 1.00 0.52 N ATOM 904 CA PRO A 61 2.939 12.157 -4.337 1.00 0.58 C ATOM 905 C PRO A 61 1.481 11.686 -4.204 1.00 0.52 C ATOM 906 O PRO A 61 1.154 10.539 -4.543 1.00 0.45 O ATOM 907 CB PRO A 61 3.260 12.509 -5.791 1.00 0.63 C ATOM 908 CG PRO A 61 4.664 12.055 -5.985 1.00 0.65 C ATOM 909 CD PRO A 61 4.821 10.829 -5.131 1.00 0.56 C ATOM 0 HA PRO A 61 3.042 13.005 -3.660 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.582 12.006 -6.480 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.161 13.579 -5.971 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.860 11.829 -7.033 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.370 12.831 -5.689 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.574 9.920 -5.680 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.844 10.716 -4.772 1.00 0.56 H new ATOM 917 N ASP A 62 0.623 12.587 -3.772 1.00 0.64 N ATOM 918 CA ASP A 62 -0.774 12.279 -3.420 1.00 0.72 C ATOM 919 C ASP A 62 -1.564 11.652 -4.566 1.00 0.61 C ATOM 920 O ASP A 62 -2.312 10.701 -4.349 1.00 0.65 O ATOM 921 CB ASP A 62 -1.503 13.524 -2.864 1.00 1.00 C ATOM 922 CG ASP A 62 -1.690 14.645 -3.875 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.690 15.098 -4.457 1.00 1.40 O ATOM 924 OD2 ASP A 62 -2.828 15.118 -4.063 1.00 1.97 O ATOM 0 H ASP A 62 0.866 13.570 -3.649 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.723 11.526 -2.634 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.481 13.221 -2.490 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -0.942 13.909 -2.012 1.00 1.00 H new ATOM 929 N ASP A 63 -1.366 12.134 -5.784 1.00 0.57 N ATOM 930 CA ASP A 63 -2.101 11.587 -6.934 1.00 0.62 C ATOM 931 C ASP A 63 -1.669 10.173 -7.225 1.00 0.52 C ATOM 932 O ASP A 63 -2.477 9.335 -7.587 1.00 0.65 O ATOM 933 CB ASP A 63 -1.890 12.390 -8.211 1.00 0.78 C ATOM 934 CG ASP A 63 -2.270 13.831 -8.121 1.00 1.29 C ATOM 935 OD1 ASP A 63 -3.474 14.151 -7.990 1.00 1.94 O ATOM 936 OD2 ASP A 63 -1.371 14.688 -8.238 1.00 1.87 O ATOM 0 H ASP A 63 -0.717 12.888 -6.008 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.153 11.632 -6.651 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -0.840 12.324 -8.494 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.466 11.927 -9.012 1.00 0.78 H new ATOM 941 N VAL A 64 -0.394 9.897 -7.011 1.00 0.42 N ATOM 942 CA VAL A 64 0.196 8.611 -7.370 1.00 0.39 C ATOM 943 C VAL A 64 -0.357 7.465 -6.506 1.00 0.33 C ATOM 944 O VAL A 64 -0.347 6.307 -6.914 1.00 0.37 O ATOM 945 CB VAL A 64 1.755 8.652 -7.327 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.373 7.363 -7.839 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.280 9.834 -8.129 1.00 0.56 C ATOM 0 H VAL A 64 0.262 10.552 -6.586 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.095 8.411 -8.401 1.00 0.39 H new ATOM 0 HB VAL A 64 2.045 8.767 -6.283 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.459 7.436 -7.791 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.038 6.529 -7.223 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.066 7.197 -8.872 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.369 9.847 -8.088 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.957 9.742 -9.166 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.890 10.761 -7.708 1.00 0.56 H new ATOM 957 N ALA A 65 -0.916 7.809 -5.366 1.00 0.35 N ATOM 958 CA ALA A 65 -1.503 6.843 -4.493 1.00 0.38 C ATOM 959 C ALA A 65 -2.828 6.392 -5.084 1.00 0.43 C ATOM 960 O ALA A 65 -3.163 5.221 -5.063 1.00 0.47 O ATOM 961 CB ALA A 65 -1.702 7.447 -3.111 1.00 0.44 C ATOM 0 H ALA A 65 -0.971 8.770 -5.027 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.845 5.980 -4.391 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.150 6.705 -2.451 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.738 7.757 -2.707 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.361 8.313 -3.184 1.00 0.44 H new ATOM 967 N GLY A 66 -3.539 7.329 -5.692 1.00 0.49 N ATOM 968 CA GLY A 66 -4.819 7.016 -6.290 1.00 0.59 C ATOM 969 C GLY A 66 -4.660 6.505 -7.708 1.00 0.53 C ATOM 970 O GLY A 66 -5.630 6.119 -8.351 1.00 0.69 O ATOM 0 H GLY A 66 -3.251 8.303 -5.782 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.330 6.265 -5.687 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.448 7.906 -6.291 1.00 0.59 H new ATOM 974 N ARG A 67 -3.427 6.499 -8.182 1.00 0.45 N ATOM 975 CA ARG A 67 -3.108 6.053 -9.526 1.00 0.45 C ATOM 976 C ARG A 67 -2.734 4.577 -9.572 1.00 0.39 C ATOM 977 O ARG A 67 -2.437 4.040 -10.650 1.00 0.51 O ATOM 978 CB ARG A 67 -1.973 6.875 -10.130 1.00 0.56 C ATOM 979 CG ARG A 67 -2.326 8.306 -10.506 1.00 1.08 C ATOM 980 CD ARG A 67 -1.115 9.006 -11.103 1.00 1.48 C ATOM 981 NE ARG A 67 -0.567 8.224 -12.220 1.00 2.15 N ATOM 982 CZ ARG A 67 0.722 8.101 -12.528 1.00 2.93 C ATOM 983 NH1 ARG A 67 1.623 8.950 -12.016 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.089 7.175 -13.410 1.00 3.83 N ATOM 0 H ARG A 67 -2.616 6.804 -7.644 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.014 6.198 -10.115 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.147 6.898 -9.419 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.612 6.363 -11.022 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.147 8.309 -11.223 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.670 8.847 -9.625 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.397 10.000 -11.451 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -0.351 9.141 -10.337 1.00 1.48 H new ATOM 0 HE ARG A 67 -1.235 7.731 -12.813 1.00 2.15 H new ATOM 0 HH11 ARG A 67 1.322 9.695 -11.387 1.00 3.24 H new ATOM 0 HH12 ARG A 67 2.610 8.852 -12.255 1.00 3.24 H new ATOM 0 HH21 ARG A 67 0.387 6.573 -13.839 1.00 3.83 H new ATOM 0 HH22 ARG A 67 2.073 7.068 -13.657 1.00 3.83 H new ATOM 998 N VAL A 68 -2.704 3.923 -8.438 1.00 0.35 N ATOM 999 CA VAL A 68 -2.407 2.508 -8.433 1.00 0.34 C ATOM 1000 C VAL A 68 -3.704 1.697 -8.366 1.00 0.39 C ATOM 1001 O VAL A 68 -4.763 2.257 -8.046 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.386 2.083 -7.326 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.059 2.771 -7.558 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.889 2.397 -5.928 1.00 0.36 C ATOM 0 H VAL A 68 -2.878 4.335 -7.521 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.904 2.285 -9.374 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.263 1.002 -7.395 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.647 2.471 -6.784 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.332 2.487 -8.535 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.198 3.851 -7.523 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.146 2.084 -5.195 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.060 3.469 -5.835 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.823 1.864 -5.749 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.654 0.431 -8.706 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.859 -0.408 -8.639 1.00 0.49 C ATOM 1016 C ASP A 69 -4.613 -1.602 -7.778 1.00 0.40 C ATOM 1017 O ASP A 69 -5.486 -2.041 -7.021 1.00 0.39 O ATOM 1018 CB ASP A 69 -5.293 -0.903 -10.026 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.666 -1.556 -9.994 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.662 -0.910 -9.593 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.772 -2.756 -10.346 1.00 0.86 O ATOM 0 H ASP A 69 -2.813 -0.048 -9.029 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.650 0.214 -8.220 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -5.307 -0.064 -10.722 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.560 -1.617 -10.402 1.00 0.68 H new ATOM 1026 N THR A 70 -3.428 -2.131 -7.883 1.00 0.38 N ATOM 1027 CA THR A 70 -3.067 -3.306 -7.164 1.00 0.35 C ATOM 1028 C THR A 70 -1.959 -2.981 -6.147 1.00 0.33 C ATOM 1029 O THR A 70 -1.115 -2.091 -6.400 1.00 0.33 O ATOM 1030 CB THR A 70 -2.622 -4.406 -8.166 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.517 -3.925 -8.952 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.779 -4.752 -9.109 1.00 0.47 C ATOM 0 H THR A 70 -2.686 -1.754 -8.473 1.00 0.38 H new ATOM 0 HA THR A 70 -3.926 -3.680 -6.606 1.00 0.35 H new ATOM 0 HB THR A 70 -2.325 -5.292 -7.605 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.237 -4.621 -9.583 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.459 -5.524 -9.809 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.626 -5.117 -8.528 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.076 -3.861 -9.662 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.964 -3.650 -4.960 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.971 -3.436 -3.903 1.00 0.33 C ATOM 1042 C PRO A 71 0.455 -3.562 -4.390 1.00 0.29 C ATOM 1043 O PRO A 71 1.348 -2.909 -3.861 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.273 -4.538 -2.886 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.714 -4.823 -3.075 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.975 -4.639 -4.544 1.00 0.39 C ATOM 0 HA PRO A 71 -1.044 -2.426 -3.501 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.665 -5.424 -3.067 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.062 -4.209 -1.868 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.958 -5.837 -2.758 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.328 -4.147 -2.480 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.866 -5.576 -5.090 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.987 -4.278 -4.728 1.00 0.39 H new ATOM 1054 N ARG A 72 0.661 -4.368 -5.423 1.00 0.31 N ATOM 1055 CA ARG A 72 1.987 -4.587 -5.959 1.00 0.31 C ATOM 1056 C ARG A 72 2.582 -3.314 -6.548 1.00 0.29 C ATOM 1057 O ARG A 72 3.786 -3.123 -6.511 1.00 0.31 O ATOM 1058 CB ARG A 72 2.011 -5.745 -6.961 1.00 0.36 C ATOM 1059 CG ARG A 72 1.312 -5.512 -8.296 1.00 0.48 C ATOM 1060 CD ARG A 72 1.265 -6.812 -9.089 1.00 0.58 C ATOM 1061 NE ARG A 72 2.574 -7.490 -9.081 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.737 -8.817 -8.934 1.00 1.40 C ATOM 1063 NH1 ARG A 72 1.707 -9.637 -9.111 1.00 1.35 N ATOM 1064 NH2 ARG A 72 3.937 -9.325 -8.667 1.00 2.47 N ATOM 0 H ARG A 72 -0.079 -4.880 -5.904 1.00 0.31 H new ATOM 0 HA ARG A 72 2.624 -4.875 -5.122 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.052 -5.999 -7.162 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.556 -6.615 -6.486 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.301 -5.142 -8.127 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.841 -4.747 -8.865 1.00 0.48 H new ATOM 0 HD2 ARG A 72 0.508 -7.472 -8.665 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.967 -6.604 -10.117 1.00 0.58 H new ATOM 0 HE ARG A 72 3.410 -6.916 -9.194 1.00 1.01 H new ATOM 0 HH11 ARG A 72 0.792 -9.260 -9.359 1.00 1.35 H new ATOM 0 HH12 ARG A 72 1.831 -10.643 -8.999 1.00 1.35 H new ATOM 0 HH21 ARG A 72 4.743 -8.707 -8.572 1.00 2.47 H new ATOM 0 HH22 ARG A 72 4.051 -10.333 -8.557 1.00 2.47 H new ATOM 1078 N GLU A 73 1.735 -2.428 -7.044 1.00 0.28 N ATOM 1079 CA GLU A 73 2.209 -1.172 -7.603 1.00 0.28 C ATOM 1080 C GLU A 73 2.599 -0.229 -6.495 1.00 0.25 C ATOM 1081 O GLU A 73 3.628 0.419 -6.561 1.00 0.25 O ATOM 1082 CB GLU A 73 1.145 -0.511 -8.421 1.00 0.33 C ATOM 1083 CG GLU A 73 0.645 -1.304 -9.581 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.406 -0.539 -10.291 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.071 0.260 -11.179 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.591 -0.755 -10.010 1.00 2.06 O ATOM 0 H GLU A 73 0.723 -2.553 -7.072 1.00 0.28 H new ATOM 0 HA GLU A 73 3.068 -1.397 -8.235 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.302 -0.279 -7.770 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.532 0.438 -8.791 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.466 -1.530 -10.261 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.245 -2.258 -9.237 1.00 0.45 H new ATOM 1093 N LEU A 74 1.755 -0.169 -5.474 1.00 0.27 N ATOM 1094 CA LEU A 74 1.973 0.686 -4.311 1.00 0.27 C ATOM 1095 C LEU A 74 3.288 0.275 -3.667 1.00 0.25 C ATOM 1096 O LEU A 74 4.134 1.106 -3.329 1.00 0.25 O ATOM 1097 CB LEU A 74 0.823 0.453 -3.320 1.00 0.30 C ATOM 1098 CG LEU A 74 0.574 1.515 -2.211 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.655 1.503 -1.150 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.464 2.906 -2.823 1.00 1.00 C ATOM 0 H LEU A 74 0.894 -0.715 -5.427 1.00 0.27 H new ATOM 0 HA LEU A 74 2.008 1.738 -4.595 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.097 0.353 -3.897 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.997 -0.505 -2.829 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.366 1.254 -1.725 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.436 2.262 -0.399 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.689 0.522 -0.676 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.619 1.717 -1.611 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.290 3.638 -2.034 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.390 3.148 -3.345 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.367 2.928 -3.529 1.00 1.00 H new ATOM 1112 N LEU A 75 3.439 -1.027 -3.534 1.00 0.29 N ATOM 1113 CA LEU A 75 4.598 -1.638 -2.976 1.00 0.34 C ATOM 1114 C LEU A 75 5.833 -1.292 -3.806 1.00 0.29 C ATOM 1115 O LEU A 75 6.881 -0.960 -3.263 1.00 0.30 O ATOM 1116 CB LEU A 75 4.385 -3.133 -2.973 1.00 0.49 C ATOM 1117 CG LEU A 75 5.503 -3.953 -2.419 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.619 -3.782 -0.921 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.350 -5.392 -2.822 1.00 0.90 C ATOM 0 H LEU A 75 2.728 -1.698 -3.825 1.00 0.29 H new ATOM 0 HA LEU A 75 4.757 -1.274 -1.961 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.483 -3.350 -2.400 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.198 -3.455 -3.997 1.00 0.49 H new ATOM 0 HG LEU A 75 6.440 -3.595 -2.845 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.442 -4.392 -0.548 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.809 -2.734 -0.688 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.690 -4.097 -0.446 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.174 -5.975 -2.410 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.405 -5.778 -2.440 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.360 -5.468 -3.909 1.00 0.90 H new ATOM 1131 N ASP A 76 5.673 -1.330 -5.118 1.00 0.29 N ATOM 1132 CA ASP A 76 6.748 -1.036 -6.066 1.00 0.33 C ATOM 1133 C ASP A 76 7.202 0.403 -5.924 1.00 0.29 C ATOM 1134 O ASP A 76 8.407 0.687 -5.934 1.00 0.33 O ATOM 1135 CB ASP A 76 6.287 -1.311 -7.499 1.00 0.40 C ATOM 1136 CG ASP A 76 7.327 -0.982 -8.541 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.345 -1.716 -8.638 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.111 -0.038 -9.339 1.00 0.63 O ATOM 0 H ASP A 76 4.787 -1.567 -5.565 1.00 0.29 H new ATOM 0 HA ASP A 76 7.592 -1.688 -5.843 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.015 -2.363 -7.589 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.387 -0.730 -7.700 1.00 0.40 H new ATOM 1143 N LEU A 77 6.231 1.295 -5.761 1.00 0.25 N ATOM 1144 CA LEU A 77 6.487 2.710 -5.520 1.00 0.25 C ATOM 1145 C LEU A 77 7.362 2.877 -4.275 1.00 0.26 C ATOM 1146 O LEU A 77 8.353 3.617 -4.287 1.00 0.32 O ATOM 1147 CB LEU A 77 5.161 3.453 -5.314 1.00 0.26 C ATOM 1148 CG LEU A 77 4.194 3.488 -6.495 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.864 4.114 -6.079 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.799 4.260 -7.661 1.00 0.38 C ATOM 0 H LEU A 77 5.240 1.056 -5.792 1.00 0.25 H new ATOM 0 HA LEU A 77 7.005 3.126 -6.384 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.646 2.998 -4.468 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.389 4.481 -5.033 1.00 0.26 H new ATOM 0 HG LEU A 77 4.011 2.463 -6.817 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.187 4.131 -6.933 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.420 3.526 -5.276 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.034 5.133 -5.731 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.095 4.274 -8.493 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.012 5.282 -7.349 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.724 3.777 -7.976 1.00 0.38 H new ATOM 1162 N ILE A 78 6.987 2.168 -3.212 1.00 0.25 N ATOM 1163 CA ILE A 78 7.741 2.169 -1.971 1.00 0.29 C ATOM 1164 C ILE A 78 9.139 1.597 -2.222 1.00 0.34 C ATOM 1165 O ILE A 78 10.135 2.255 -1.952 1.00 0.40 O ATOM 1166 CB ILE A 78 7.043 1.309 -0.868 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.641 1.849 -0.529 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.911 1.244 0.397 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.629 3.246 0.063 1.00 0.46 C ATOM 0 H ILE A 78 6.154 1.580 -3.192 1.00 0.25 H new ATOM 0 HA ILE A 78 7.800 3.200 -1.622 1.00 0.29 H new ATOM 0 HB ILE A 78 6.924 0.301 -1.265 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.036 1.848 -1.436 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.163 1.167 0.174 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.408 0.641 1.153 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.874 0.793 0.155 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.069 2.251 0.782 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.601 3.545 0.270 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.203 3.253 0.990 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.074 3.945 -0.645 1.00 0.46 H new ATOM 1181 N ASN A 79 9.184 0.361 -2.736 1.00 0.37 N ATOM 1182 CA ASN A 79 10.440 -0.370 -2.989 1.00 0.46 C ATOM 1183 C ASN A 79 11.440 0.447 -3.766 1.00 0.40 C ATOM 1184 O ASN A 79 12.600 0.523 -3.373 1.00 0.45 O ATOM 1185 CB ASN A 79 10.222 -1.711 -3.725 1.00 0.62 C ATOM 1186 CG ASN A 79 9.473 -2.777 -2.928 1.00 0.84 C ATOM 1187 OD1 ASN A 79 8.824 -3.641 -3.502 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.556 -2.730 -1.625 1.00 0.56 N ATOM 0 H ASN A 79 8.348 -0.165 -2.990 1.00 0.37 H new ATOM 0 HA ASN A 79 10.838 -0.576 -1.995 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.673 -1.516 -4.646 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.194 -2.111 -4.012 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.072 -3.426 -1.058 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.105 -1.997 -1.175 1.00 0.56 H new ATOM 1195 N GLY A 80 10.985 1.067 -4.847 1.00 0.38 N ATOM 1196 CA GLY A 80 11.850 1.872 -5.680 1.00 0.41 C ATOM 1197 C GLY A 80 12.515 2.990 -4.904 1.00 0.45 C ATOM 1198 O GLY A 80 13.737 3.153 -4.961 1.00 0.55 O ATOM 0 H GLY A 80 10.016 1.023 -5.163 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.615 1.237 -6.126 1.00 0.41 H new ATOM 0 HA3 GLY A 80 11.270 2.296 -6.500 1.00 0.41 H new ATOM 1202 N ALA A 81 11.727 3.707 -4.132 1.00 0.44 N ATOM 1203 CA ALA A 81 12.223 4.818 -3.349 1.00 0.51 C ATOM 1204 C ALA A 81 13.088 4.335 -2.183 1.00 0.54 C ATOM 1205 O ALA A 81 14.130 4.930 -1.864 1.00 0.69 O ATOM 1206 CB ALA A 81 11.060 5.646 -2.834 1.00 0.52 C ATOM 0 H ALA A 81 10.727 3.537 -4.030 1.00 0.44 H new ATOM 0 HA ALA A 81 12.848 5.436 -3.993 1.00 0.51 H new ATOM 0 HB1 ALA A 81 11.440 6.481 -2.245 1.00 0.52 H new ATOM 0 HB2 ALA A 81 10.484 6.029 -3.677 1.00 0.52 H new ATOM 0 HB3 ALA A 81 10.419 5.024 -2.209 1.00 0.52 H new ATOM 1212 N LEU A 82 12.672 3.246 -1.574 1.00 0.44 N ATOM 1213 CA LEU A 82 13.334 2.686 -0.430 1.00 0.50 C ATOM 1214 C LEU A 82 14.705 2.118 -0.803 1.00 0.60 C ATOM 1215 O LEU A 82 15.649 2.247 -0.045 1.00 0.70 O ATOM 1216 CB LEU A 82 12.436 1.624 0.201 1.00 0.48 C ATOM 1217 CG LEU A 82 12.982 0.900 1.413 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.299 1.876 2.546 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.004 -0.162 1.875 1.00 0.66 C ATOM 0 H LEU A 82 11.849 2.720 -1.870 1.00 0.44 H new ATOM 0 HA LEU A 82 13.513 3.474 0.301 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.496 2.098 0.484 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.201 0.881 -0.561 1.00 0.48 H new ATOM 0 HG LEU A 82 13.915 0.414 1.127 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.689 1.325 3.402 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.044 2.597 2.208 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.390 2.403 2.837 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.409 -0.675 2.747 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.055 0.306 2.138 1.00 0.66 H new ATOM 0 HD23 LEU A 82 11.843 -0.882 1.073 1.00 0.66 H new ATOM 1231 N ALA A 83 14.820 1.551 -1.990 1.00 0.64 N ATOM 1232 CA ALA A 83 16.093 0.975 -2.446 1.00 0.79 C ATOM 1233 C ALA A 83 17.168 2.056 -2.644 1.00 0.95 C ATOM 1234 O ALA A 83 18.367 1.765 -2.642 1.00 1.13 O ATOM 1235 CB ALA A 83 15.900 0.144 -3.711 1.00 0.86 C ATOM 0 H ALA A 83 14.056 1.472 -2.661 1.00 0.64 H new ATOM 0 HA ALA A 83 16.449 0.308 -1.661 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.859 -0.269 -4.025 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.203 -0.669 -3.509 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.500 0.776 -4.504 1.00 0.86 H new ATOM 1241 N GLU A 84 16.742 3.301 -2.805 1.00 0.95 N ATOM 1242 CA GLU A 84 17.653 4.405 -2.923 1.00 1.17 C ATOM 1243 C GLU A 84 18.128 4.835 -1.531 1.00 1.25 C ATOM 1244 O GLU A 84 19.280 5.240 -1.342 1.00 1.52 O ATOM 1245 CB GLU A 84 16.959 5.580 -3.603 1.00 1.23 C ATOM 1246 CG GLU A 84 16.473 5.317 -5.018 1.00 1.40 C ATOM 1247 CD GLU A 84 15.857 6.542 -5.646 1.00 1.80 C ATOM 1248 OE1 GLU A 84 14.656 6.789 -5.443 1.00 2.47 O ATOM 1249 OE2 GLU A 84 16.572 7.293 -6.357 1.00 2.17 O ATOM 0 H GLU A 84 15.757 3.562 -2.856 1.00 0.95 H new ATOM 0 HA GLU A 84 18.510 4.095 -3.521 1.00 1.17 H new ATOM 0 HB2 GLU A 84 16.106 5.879 -2.993 1.00 1.23 H new ATOM 0 HB3 GLU A 84 17.648 6.425 -3.624 1.00 1.23 H new ATOM 0 HG2 GLU A 84 17.309 4.978 -5.630 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.740 4.510 -5.005 1.00 1.40 H new