USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 535 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 17 SER OG : rot 157:sc= 2.12 USER MOD Set 1.2: A 40 TYR OH : rot -58:sc= 0.456 USER MOD Set 1.3: A 48 THR OG1 : rot 90:sc= 2.18 USER MOD Single : A 6 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 42 SER OG : rot 180:sc= -0.118 USER MOD Single : A 46 MET CE :methyl -160:sc= -0.136 (180deg=-0.672) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -101:sc= 0.324 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.96 K(o=2,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.961 -10.354 -0.282 1.00 1.02 N ATOM 45 CA LEU A 4 11.177 -9.366 -0.968 1.00 0.89 C ATOM 46 C LEU A 4 9.773 -9.341 -0.387 1.00 0.82 C ATOM 47 O LEU A 4 9.436 -10.140 0.511 1.00 1.00 O ATOM 48 CB LEU A 4 11.138 -9.639 -2.476 1.00 0.93 C ATOM 49 CG LEU A 4 12.476 -9.541 -3.219 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.280 -9.814 -4.698 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.109 -8.168 -3.013 1.00 1.09 C ATOM 0 HA LEU A 4 11.640 -8.390 -0.826 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.732 -10.639 -2.632 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.441 -8.937 -2.933 1.00 0.93 H new ATOM 0 HG LEU A 4 13.150 -10.294 -2.811 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.239 -9.741 -5.212 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.872 -10.816 -4.832 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.588 -9.082 -5.115 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.057 -8.120 -3.549 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.438 -7.397 -3.393 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.284 -8.004 -1.950 1.00 1.09 H new ATOM 63 N LEU A 5 8.969 -8.456 -0.873 1.00 0.69 N ATOM 64 CA LEU A 5 7.624 -8.307 -0.397 1.00 0.62 C ATOM 65 C LEU A 5 6.694 -8.449 -1.582 1.00 0.51 C ATOM 66 O LEU A 5 6.835 -7.727 -2.575 1.00 0.50 O ATOM 67 CB LEU A 5 7.502 -6.938 0.314 1.00 0.64 C ATOM 68 CG LEU A 5 6.187 -6.585 1.025 1.00 0.71 C ATOM 69 CD1 LEU A 5 6.454 -5.516 2.041 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.152 -6.065 0.050 1.00 1.01 C ATOM 0 H LEU A 5 9.224 -7.808 -1.618 1.00 0.69 H new ATOM 0 HA LEU A 5 7.353 -9.071 0.332 1.00 0.62 H new ATOM 0 HB2 LEU A 5 8.302 -6.878 1.052 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.694 -6.163 -0.428 1.00 0.64 H new ATOM 0 HG LEU A 5 5.803 -7.491 1.495 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.526 -5.259 2.551 1.00 1.14 H new ATOM 0 HD12 LEU A 5 7.179 -5.879 2.769 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.851 -4.632 1.543 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.234 -5.825 0.587 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.531 -5.168 -0.439 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.944 -6.827 -0.701 1.00 1.01 H new ATOM 82 N THR A 6 5.770 -9.369 -1.499 1.00 0.53 N ATOM 83 CA THR A 6 4.896 -9.636 -2.607 1.00 0.54 C ATOM 84 C THR A 6 3.534 -8.991 -2.402 1.00 0.47 C ATOM 85 O THR A 6 3.292 -8.309 -1.389 1.00 0.45 O ATOM 86 CB THR A 6 4.688 -11.156 -2.807 1.00 0.74 C ATOM 87 OG1 THR A 6 4.050 -11.707 -1.634 1.00 0.84 O ATOM 88 CG2 THR A 6 6.014 -11.867 -3.041 1.00 1.01 C ATOM 0 H THR A 6 5.604 -9.946 -0.674 1.00 0.53 H new ATOM 0 HA THR A 6 5.375 -9.213 -3.490 1.00 0.54 H new ATOM 0 HB THR A 6 4.060 -11.305 -3.685 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.674 -11.679 -0.879 1.00 0.84 H new ATOM 0 HG21 THR A 6 5.836 -12.934 -3.178 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.492 -11.461 -3.933 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.665 -11.716 -2.180 1.00 1.01 H new ATOM 96 N THR A 7 2.647 -9.228 -3.344 1.00 0.53 N ATOM 97 CA THR A 7 1.274 -8.811 -3.266 1.00 0.55 C ATOM 98 C THR A 7 0.567 -9.356 -2.021 1.00 0.49 C ATOM 99 O THR A 7 -0.290 -8.690 -1.459 1.00 0.47 O ATOM 100 CB THR A 7 0.527 -9.199 -4.549 1.00 0.73 C ATOM 101 OG1 THR A 7 1.103 -10.415 -5.075 1.00 0.83 O ATOM 102 CG2 THR A 7 0.620 -8.090 -5.585 1.00 0.95 C ATOM 0 H THR A 7 2.871 -9.728 -4.204 1.00 0.53 H new ATOM 0 HA THR A 7 1.265 -7.725 -3.172 1.00 0.55 H new ATOM 0 HB THR A 7 -0.526 -9.355 -4.316 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.631 -10.673 -5.894 1.00 0.83 H new ATOM 0 HG21 THR A 7 0.083 -8.388 -6.486 1.00 0.95 H new ATOM 0 HG22 THR A 7 0.177 -7.179 -5.183 1.00 0.95 H new ATOM 0 HG23 THR A 7 1.666 -7.908 -5.830 1.00 0.95 H new ATOM 110 N ASP A 8 0.974 -10.545 -1.560 1.00 0.57 N ATOM 111 CA ASP A 8 0.351 -11.147 -0.381 1.00 0.61 C ATOM 112 C ASP A 8 0.795 -10.408 0.861 1.00 0.54 C ATOM 113 O ASP A 8 -0.015 -10.074 1.710 1.00 0.53 O ATOM 114 CB ASP A 8 0.679 -12.643 -0.250 1.00 0.81 C ATOM 115 CG ASP A 8 -0.045 -13.299 0.926 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.180 -13.756 0.776 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.536 -13.379 2.027 1.00 2.14 O ATOM 0 H ASP A 8 1.720 -11.100 -1.979 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.729 -11.062 -0.498 1.00 0.61 H new ATOM 0 HB2 ASP A 8 0.404 -13.154 -1.173 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.755 -12.766 -0.125 1.00 0.81 H new ATOM 122 N ASP A 9 2.086 -10.090 0.916 1.00 0.55 N ATOM 123 CA ASP A 9 2.677 -9.372 2.061 1.00 0.57 C ATOM 124 C ASP A 9 2.070 -7.980 2.146 1.00 0.50 C ATOM 125 O ASP A 9 1.792 -7.460 3.234 1.00 0.57 O ATOM 126 CB ASP A 9 4.205 -9.213 1.905 1.00 0.65 C ATOM 127 CG ASP A 9 4.988 -10.503 1.800 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.145 -11.019 0.666 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.516 -10.988 2.834 1.00 1.61 O ATOM 0 H ASP A 9 2.754 -10.317 0.179 1.00 0.55 H new ATOM 0 HA ASP A 9 2.469 -9.953 2.959 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.401 -8.616 1.014 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.583 -8.648 2.757 1.00 0.65 H new ATOM 134 N LEU A 10 1.873 -7.377 0.988 1.00 0.43 N ATOM 135 CA LEU A 10 1.273 -6.065 0.886 1.00 0.43 C ATOM 136 C LEU A 10 -0.201 -6.129 1.296 1.00 0.41 C ATOM 137 O LEU A 10 -0.683 -5.271 2.033 1.00 0.47 O ATOM 138 CB LEU A 10 1.427 -5.520 -0.545 1.00 0.46 C ATOM 139 CG LEU A 10 0.961 -4.078 -0.787 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.742 -3.106 0.088 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.120 -3.710 -2.253 1.00 0.79 C ATOM 0 H LEU A 10 2.127 -7.788 0.089 1.00 0.43 H new ATOM 0 HA LEU A 10 1.786 -5.383 1.564 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.478 -5.589 -0.824 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.874 -6.174 -1.220 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.094 -4.010 -0.521 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.396 -2.089 -0.099 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.586 -3.355 1.138 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.804 -3.177 -0.147 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.785 -2.684 -2.409 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.168 -3.797 -2.538 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.520 -4.384 -2.864 1.00 0.79 H new ATOM 153 N ARG A 11 -0.896 -7.161 0.816 1.00 0.39 N ATOM 154 CA ARG A 11 -2.307 -7.407 1.131 1.00 0.44 C ATOM 155 C ARG A 11 -2.561 -7.429 2.623 1.00 0.44 C ATOM 156 O ARG A 11 -3.498 -6.807 3.093 1.00 0.48 O ATOM 157 CB ARG A 11 -2.800 -8.697 0.460 1.00 0.52 C ATOM 158 CG ARG A 11 -4.258 -9.057 0.737 1.00 0.70 C ATOM 159 CD ARG A 11 -4.750 -10.121 -0.231 1.00 0.85 C ATOM 160 NE ARG A 11 -3.876 -11.299 -0.259 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.619 -12.036 -1.353 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.262 -11.790 -2.498 1.00 2.17 N ATOM 163 NH2 ARG A 11 -2.743 -13.034 -1.288 1.00 2.23 N ATOM 0 H ARG A 11 -0.492 -7.858 0.191 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.881 -6.574 0.726 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.664 -8.602 -0.617 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.169 -9.523 0.789 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.359 -9.417 1.761 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.879 -8.166 0.650 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.758 -10.426 0.051 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.814 -9.696 -1.232 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.431 -11.579 0.615 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -4.952 -11.040 -2.545 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.063 -12.352 -3.325 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.268 -13.239 -0.409 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.546 -13.595 -2.117 1.00 2.23 H new ATOM 177 N ARG A 12 -1.696 -8.122 3.353 1.00 0.47 N ATOM 178 CA ARG A 12 -1.802 -8.238 4.820 1.00 0.54 C ATOM 179 C ARG A 12 -1.796 -6.837 5.455 1.00 0.54 C ATOM 180 O ARG A 12 -2.538 -6.562 6.387 1.00 0.62 O ATOM 181 CB ARG A 12 -0.618 -9.047 5.378 1.00 0.64 C ATOM 182 CG ARG A 12 -0.385 -10.386 4.695 1.00 1.04 C ATOM 183 CD ARG A 12 0.903 -11.040 5.175 1.00 1.27 C ATOM 184 NE ARG A 12 1.331 -12.136 4.294 1.00 1.78 N ATOM 185 CZ ARG A 12 2.495 -12.802 4.371 1.00 2.34 C ATOM 186 NH1 ARG A 12 3.302 -12.669 5.426 1.00 2.59 N ATOM 187 NH2 ARG A 12 2.803 -13.653 3.409 1.00 3.25 N ATOM 0 H ARG A 12 -0.900 -8.622 2.956 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.734 -8.749 5.061 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.288 -8.447 5.290 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.783 -9.221 6.441 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.227 -11.049 4.894 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.341 -10.242 3.615 1.00 1.04 H new ATOM 0 HD2 ARG A 12 1.692 -10.290 5.228 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.759 -11.423 6.185 1.00 1.27 H new ATOM 0 HE ARG A 12 0.685 -12.417 3.556 1.00 1.78 H new ATOM 0 HH11 ARG A 12 3.039 -12.052 6.195 1.00 2.59 H new ATOM 0 HH12 ARG A 12 4.181 -13.184 5.464 1.00 2.59 H new ATOM 0 HH21 ARG A 12 2.162 -13.794 2.628 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.682 -14.170 3.447 1.00 3.25 H new ATOM 201 N ALA A 13 -0.930 -5.980 4.963 1.00 0.52 N ATOM 202 CA ALA A 13 -0.853 -4.610 5.439 1.00 0.59 C ATOM 203 C ALA A 13 -2.077 -3.782 4.998 1.00 0.59 C ATOM 204 O ALA A 13 -2.701 -3.094 5.797 1.00 0.69 O ATOM 205 CB ALA A 13 0.436 -3.964 4.973 1.00 0.66 C ATOM 0 H ALA A 13 -0.262 -6.207 4.227 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.858 -4.634 6.529 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.481 -2.937 5.337 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.286 -4.525 5.363 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.470 -3.965 3.884 1.00 0.66 H new ATOM 211 N LEU A 14 -2.418 -3.870 3.721 1.00 0.52 N ATOM 212 CA LEU A 14 -3.517 -3.087 3.154 1.00 0.55 C ATOM 213 C LEU A 14 -4.890 -3.496 3.698 1.00 0.58 C ATOM 214 O LEU A 14 -5.801 -2.674 3.777 1.00 0.68 O ATOM 215 CB LEU A 14 -3.516 -3.133 1.618 1.00 0.52 C ATOM 216 CG LEU A 14 -2.290 -2.550 0.907 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.480 -2.602 -0.592 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.026 -1.124 1.355 1.00 1.05 C ATOM 0 H LEU A 14 -1.949 -4.479 3.050 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.339 -2.060 3.472 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.624 -4.173 1.310 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.399 -2.602 1.262 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.424 -3.155 1.175 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.602 -2.185 -1.085 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -2.615 -3.637 -0.906 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.361 -2.022 -0.867 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.151 -0.735 0.835 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -2.892 -0.503 1.123 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.846 -1.108 2.430 1.00 1.05 H new ATOM 230 N VAL A 15 -5.031 -4.751 4.066 1.00 0.57 N ATOM 231 CA VAL A 15 -6.282 -5.281 4.591 1.00 0.66 C ATOM 232 C VAL A 15 -6.634 -4.654 5.964 1.00 0.72 C ATOM 233 O VAL A 15 -7.767 -4.739 6.433 1.00 0.91 O ATOM 234 CB VAL A 15 -6.283 -6.848 4.649 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.407 -7.370 5.738 1.00 0.88 C ATOM 236 CG2 VAL A 15 -7.665 -7.435 4.756 1.00 1.01 C ATOM 0 H VAL A 15 -4.281 -5.440 4.011 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.067 -4.994 3.891 1.00 0.66 H new ATOM 0 HB VAL A 15 -5.870 -7.172 3.694 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -5.439 -8.460 5.740 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.382 -7.037 5.572 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.759 -6.995 6.699 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -7.597 -8.522 4.792 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.145 -7.071 5.664 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.255 -7.137 3.889 1.00 1.01 H new ATOM 246 N GLU A 16 -5.643 -4.015 6.588 1.00 0.66 N ATOM 247 CA GLU A 16 -5.820 -3.390 7.889 1.00 0.79 C ATOM 248 C GLU A 16 -6.575 -2.065 7.781 1.00 0.83 C ATOM 249 O GLU A 16 -7.521 -1.823 8.533 1.00 0.98 O ATOM 250 CB GLU A 16 -4.472 -3.097 8.541 1.00 0.94 C ATOM 251 CG GLU A 16 -3.545 -4.282 8.681 1.00 1.08 C ATOM 252 CD GLU A 16 -2.224 -3.897 9.303 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.822 -2.715 9.186 1.00 1.49 O ATOM 254 OE2 GLU A 16 -1.551 -4.763 9.901 1.00 1.71 O ATOM 0 H GLU A 16 -4.703 -3.919 6.204 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.393 -4.095 8.492 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.965 -2.329 7.957 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.651 -2.679 9.532 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.024 -5.047 9.292 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.369 -4.722 7.700 1.00 1.08 H new ATOM 261 N SER A 17 -6.149 -1.208 6.872 1.00 0.77 N ATOM 262 CA SER A 17 -6.695 0.133 6.797 1.00 0.91 C ATOM 263 C SER A 17 -8.031 0.183 6.051 1.00 0.95 C ATOM 264 O SER A 17 -9.010 0.748 6.564 1.00 1.24 O ATOM 265 CB SER A 17 -5.670 1.084 6.195 1.00 0.98 C ATOM 266 OG SER A 17 -4.406 0.895 6.813 1.00 1.24 O ATOM 0 H SER A 17 -5.430 -1.415 6.179 1.00 0.77 H new ATOM 0 HA SER A 17 -6.912 0.460 7.814 1.00 0.91 H new ATOM 0 HB2 SER A 17 -5.588 0.911 5.122 1.00 0.98 H new ATOM 0 HB3 SER A 17 -5.998 2.115 6.327 1.00 0.98 H new ATOM 0 HG SER A 17 -3.698 1.208 6.212 1.00 1.24 H new ATOM 272 N ALA A 18 -8.097 -0.385 4.855 1.00 0.83 N ATOM 273 CA ALA A 18 -9.360 -0.419 4.133 1.00 0.94 C ATOM 274 C ALA A 18 -10.225 -1.560 4.633 1.00 1.41 C ATOM 275 O ALA A 18 -10.342 -2.622 3.999 1.00 2.05 O ATOM 276 CB ALA A 18 -9.174 -0.466 2.640 1.00 1.05 C ATOM 0 H ALA A 18 -7.310 -0.819 4.373 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.879 0.518 4.338 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -10.149 -0.490 2.153 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.627 0.418 2.314 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.612 -1.360 2.371 1.00 1.05 H new ATOM 393 N GLY A 28 -9.140 -9.570 -1.567 1.00 0.95 N ATOM 394 CA GLY A 28 -8.966 -10.201 -2.851 1.00 1.09 C ATOM 395 C GLY A 28 -7.715 -9.731 -3.563 1.00 0.84 C ATOM 396 O GLY A 28 -6.579 -10.037 -3.136 1.00 1.04 O ATOM 0 HA2 GLY A 28 -8.920 -11.282 -2.718 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.835 -9.993 -3.475 1.00 1.09 H new ATOM 400 N ASP A 29 -7.912 -8.985 -4.620 1.00 0.80 N ATOM 401 CA ASP A 29 -6.819 -8.467 -5.417 1.00 0.86 C ATOM 402 C ASP A 29 -6.937 -6.959 -5.443 1.00 0.77 C ATOM 403 O ASP A 29 -8.024 -6.420 -5.199 1.00 1.01 O ATOM 404 CB ASP A 29 -6.884 -9.014 -6.848 1.00 1.28 C ATOM 405 CG ASP A 29 -5.563 -8.906 -7.590 1.00 1.96 C ATOM 406 OD1 ASP A 29 -5.134 -7.765 -7.878 1.00 2.38 O ATOM 407 OD2 ASP A 29 -4.941 -9.927 -7.916 1.00 2.61 O ATOM 0 H ASP A 29 -8.837 -8.716 -4.957 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.868 -8.774 -4.982 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -7.192 -10.059 -6.817 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.650 -8.473 -7.403 1.00 1.28 H new ATOM 412 N PHE A 30 -5.856 -6.288 -5.723 1.00 0.58 N ATOM 413 CA PHE A 30 -5.828 -4.833 -5.729 1.00 0.52 C ATOM 414 C PHE A 30 -4.679 -4.290 -6.591 1.00 0.46 C ATOM 415 O PHE A 30 -4.566 -3.095 -6.766 1.00 0.44 O ATOM 416 CB PHE A 30 -5.691 -4.319 -4.277 1.00 0.56 C ATOM 417 CG PHE A 30 -4.540 -4.941 -3.526 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.256 -4.508 -3.753 1.00 0.73 C ATOM 419 CD2 PHE A 30 -4.746 -5.937 -2.585 1.00 0.67 C ATOM 420 CE1 PHE A 30 -2.205 -5.047 -3.067 1.00 0.86 C ATOM 421 CE2 PHE A 30 -3.694 -6.479 -1.889 1.00 0.84 C ATOM 422 CZ PHE A 30 -2.444 -6.125 -2.170 1.00 0.89 C ATOM 0 H PHE A 30 -4.964 -6.724 -5.955 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.761 -4.475 -6.165 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.562 -3.237 -4.293 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.617 -4.521 -3.739 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -3.076 -3.732 -4.482 1.00 0.73 H new ATOM 0 HD2 PHE A 30 -5.748 -6.292 -2.396 1.00 0.67 H new ATOM 0 HE1 PHE A 30 -1.206 -4.660 -3.204 1.00 0.86 H new ATOM 0 HE2 PHE A 30 -3.884 -7.199 -1.107 1.00 0.84 H new ATOM 0 HZ PHE A 30 -1.615 -6.652 -1.720 1.00 0.89 H new ATOM 432 N LEU A 31 -3.854 -5.187 -7.132 1.00 0.48 N ATOM 433 CA LEU A 31 -2.612 -4.821 -7.832 1.00 0.49 C ATOM 434 C LEU A 31 -2.808 -3.804 -8.974 1.00 0.43 C ATOM 435 O LEU A 31 -2.066 -2.814 -9.077 1.00 0.46 O ATOM 436 CB LEU A 31 -1.882 -6.082 -8.306 1.00 0.62 C ATOM 437 CG LEU A 31 -0.579 -5.886 -9.070 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.471 -5.211 -8.196 1.00 1.15 C ATOM 439 CD2 LEU A 31 -0.065 -7.219 -9.584 1.00 1.53 C ATOM 0 H LEU A 31 -4.025 -6.192 -7.100 1.00 0.48 H new ATOM 0 HA LEU A 31 -1.987 -4.300 -7.106 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.672 -6.699 -7.433 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.564 -6.649 -8.940 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.778 -5.235 -9.921 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.391 -5.083 -8.766 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.105 -4.236 -7.875 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.669 -5.830 -7.321 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.867 -7.064 -10.128 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.113 -7.889 -8.743 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.805 -7.662 -10.250 1.00 1.53 H new ATOM 451 N ASP A 32 -3.794 -4.049 -9.811 1.00 0.43 N ATOM 452 CA ASP A 32 -4.073 -3.185 -10.962 1.00 0.49 C ATOM 453 C ASP A 32 -5.201 -2.209 -10.623 1.00 0.41 C ATOM 454 O ASP A 32 -5.545 -1.301 -11.403 1.00 0.51 O ATOM 455 CB ASP A 32 -4.446 -4.060 -12.175 1.00 0.68 C ATOM 456 CG ASP A 32 -4.667 -3.291 -13.460 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.682 -2.888 -14.108 1.00 2.17 O ATOM 458 OD2 ASP A 32 -5.844 -3.028 -13.818 1.00 1.99 O ATOM 0 H ASP A 32 -4.426 -4.844 -9.723 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.186 -2.602 -11.209 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.654 -4.792 -12.336 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.353 -4.618 -11.940 1.00 0.68 H new ATOM 463 N LEU A 33 -5.735 -2.368 -9.438 1.00 0.36 N ATOM 464 CA LEU A 33 -6.828 -1.553 -8.975 1.00 0.35 C ATOM 465 C LEU A 33 -6.292 -0.261 -8.407 1.00 0.32 C ATOM 466 O LEU A 33 -5.230 -0.230 -7.802 1.00 0.38 O ATOM 467 CB LEU A 33 -7.694 -2.273 -7.913 1.00 0.46 C ATOM 468 CG LEU A 33 -8.582 -3.455 -8.365 1.00 0.70 C ATOM 469 CD1 LEU A 33 -7.772 -4.648 -8.824 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.519 -3.865 -7.250 1.00 1.56 C ATOM 0 H LEU A 33 -5.422 -3.069 -8.766 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.470 -1.350 -9.832 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.026 -2.639 -7.133 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.343 -1.528 -7.453 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.160 -3.107 -9.221 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.445 -5.449 -9.130 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.145 -4.359 -9.667 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.142 -4.997 -8.006 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.138 -4.698 -7.583 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -8.938 -4.170 -6.380 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -10.157 -3.023 -6.983 1.00 1.56 H new ATOM 482 N ARG A 34 -7.007 0.793 -8.621 1.00 0.39 N ATOM 483 CA ARG A 34 -6.620 2.090 -8.137 1.00 0.49 C ATOM 484 C ARG A 34 -6.912 2.185 -6.636 1.00 0.45 C ATOM 485 O ARG A 34 -7.942 1.696 -6.188 1.00 0.50 O ATOM 486 CB ARG A 34 -7.371 3.205 -8.899 1.00 0.73 C ATOM 487 CG ARG A 34 -7.033 3.358 -10.398 1.00 0.89 C ATOM 488 CD ARG A 34 -7.488 2.184 -11.277 1.00 0.95 C ATOM 489 NE ARG A 34 -7.350 2.482 -12.717 1.00 1.79 N ATOM 490 CZ ARG A 34 -7.085 1.596 -13.688 1.00 2.53 C ATOM 491 NH1 ARG A 34 -6.774 0.338 -13.395 1.00 2.76 N ATOM 492 NH2 ARG A 34 -7.104 1.988 -14.965 1.00 3.48 N ATOM 0 H ARG A 34 -7.885 0.786 -9.140 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.552 2.224 -8.306 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.441 3.021 -8.807 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.167 4.154 -8.404 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -7.494 4.273 -10.770 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -5.955 3.478 -10.504 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.900 1.299 -11.032 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -8.528 1.947 -11.054 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.468 3.455 -13.000 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -6.735 0.036 -12.422 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -6.575 -0.326 -14.143 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -7.319 2.957 -15.198 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -6.903 1.318 -15.707 1.00 3.48 H new ATOM 506 N PHE A 35 -6.002 2.805 -5.866 1.00 0.43 N ATOM 507 CA PHE A 35 -6.170 2.978 -4.400 1.00 0.43 C ATOM 508 C PHE A 35 -7.535 3.523 -4.021 1.00 0.48 C ATOM 509 O PHE A 35 -8.198 2.996 -3.128 1.00 0.52 O ATOM 510 CB PHE A 35 -5.072 3.845 -3.774 1.00 0.44 C ATOM 511 CG PHE A 35 -3.759 3.147 -3.572 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.631 2.165 -2.600 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.651 3.486 -4.316 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.423 1.536 -2.383 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.439 2.860 -4.109 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.325 1.884 -3.138 1.00 0.60 C ATOM 0 H PHE A 35 -5.135 3.199 -6.231 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.083 1.971 -3.991 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -4.911 4.717 -4.408 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.424 4.213 -2.810 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.489 1.889 -2.005 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.732 4.253 -5.072 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.338 0.773 -1.623 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.581 3.133 -4.705 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.377 1.395 -2.971 1.00 0.60 H new ATOM 526 N GLU A 36 -7.954 4.558 -4.717 1.00 0.53 N ATOM 527 CA GLU A 36 -9.254 5.194 -4.504 1.00 0.67 C ATOM 528 C GLU A 36 -10.427 4.212 -4.657 1.00 0.73 C ATOM 529 O GLU A 36 -11.480 4.371 -4.041 1.00 0.87 O ATOM 530 CB GLU A 36 -9.411 6.375 -5.446 1.00 0.75 C ATOM 531 CG GLU A 36 -9.147 6.049 -6.901 1.00 1.26 C ATOM 532 CD GLU A 36 -9.436 7.209 -7.801 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.584 8.112 -7.904 1.00 1.90 O ATOM 534 OE2 GLU A 36 -10.505 7.249 -8.412 1.00 2.04 O ATOM 0 H GLU A 36 -7.402 4.993 -5.457 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.281 5.547 -3.473 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.423 6.768 -5.351 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.731 7.167 -5.134 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.106 5.748 -7.021 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.761 5.199 -7.198 1.00 1.26 H new ATOM 541 N ASP A 37 -10.221 3.202 -5.454 1.00 0.70 N ATOM 542 CA ASP A 37 -11.233 2.211 -5.734 1.00 0.83 C ATOM 543 C ASP A 37 -11.168 1.067 -4.715 1.00 0.82 C ATOM 544 O ASP A 37 -12.137 0.373 -4.498 1.00 0.98 O ATOM 545 CB ASP A 37 -11.062 1.715 -7.183 1.00 0.94 C ATOM 546 CG ASP A 37 -11.999 0.599 -7.588 1.00 1.41 C ATOM 547 OD1 ASP A 37 -13.236 0.766 -7.504 1.00 1.71 O ATOM 548 OD2 ASP A 37 -11.504 -0.468 -8.009 1.00 2.12 O ATOM 0 H ASP A 37 -9.337 3.038 -5.935 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.224 2.654 -5.639 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.209 2.557 -7.860 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.035 1.374 -7.316 1.00 0.94 H new ATOM 553 N ILE A 38 -10.026 0.918 -4.055 1.00 0.68 N ATOM 554 CA ILE A 38 -9.844 -0.137 -3.048 1.00 0.70 C ATOM 555 C ILE A 38 -9.940 0.397 -1.613 1.00 0.72 C ATOM 556 O ILE A 38 -9.392 -0.190 -0.677 1.00 0.82 O ATOM 557 CB ILE A 38 -8.527 -0.938 -3.231 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.298 -0.014 -3.182 1.00 0.63 C ATOM 559 CG2 ILE A 38 -8.572 -1.713 -4.525 1.00 0.80 C ATOM 560 CD1 ILE A 38 -5.966 -0.719 -3.325 1.00 0.75 C ATOM 0 H ILE A 38 -9.208 1.511 -4.194 1.00 0.68 H new ATOM 0 HA ILE A 38 -10.673 -0.825 -3.214 1.00 0.70 H new ATOM 0 HB ILE A 38 -8.434 -1.642 -2.404 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.387 0.728 -3.976 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.306 0.528 -2.236 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -7.644 -2.273 -4.646 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.414 -2.405 -4.505 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.691 -1.022 -5.359 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.160 0.013 -3.278 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -5.848 -1.441 -2.517 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -5.930 -1.238 -4.283 1.00 0.75 H new ATOM 572 N GLY A 39 -10.668 1.478 -1.448 1.00 0.75 N ATOM 573 CA GLY A 39 -10.928 2.016 -0.115 1.00 0.87 C ATOM 574 C GLY A 39 -9.912 3.039 0.373 1.00 0.68 C ATOM 575 O GLY A 39 -9.980 3.489 1.514 1.00 0.76 O ATOM 0 H GLY A 39 -11.092 2.006 -2.211 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -11.916 2.477 -0.111 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -10.959 1.189 0.595 1.00 0.87 H new ATOM 579 N TYR A 40 -8.975 3.412 -0.459 1.00 0.55 N ATOM 580 CA TYR A 40 -7.976 4.386 -0.058 1.00 0.52 C ATOM 581 C TYR A 40 -8.241 5.729 -0.680 1.00 0.56 C ATOM 582 O TYR A 40 -8.019 5.925 -1.862 1.00 0.71 O ATOM 583 CB TYR A 40 -6.552 3.899 -0.359 1.00 0.60 C ATOM 584 CG TYR A 40 -6.109 2.794 0.555 1.00 0.55 C ATOM 585 CD1 TYR A 40 -6.498 1.501 0.307 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.271 3.032 1.634 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.070 0.464 1.088 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.844 1.997 2.433 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.341 0.818 2.318 1.00 0.93 C ATOM 590 OH TYR A 40 -4.800 -0.332 2.894 1.00 1.21 O ATOM 0 H TYR A 40 -8.877 3.063 -1.413 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.053 4.502 1.023 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.502 3.552 -1.391 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -5.860 4.737 -0.270 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.157 1.299 -0.524 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -4.950 4.041 1.849 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -6.257 -0.564 0.817 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.077 2.179 3.171 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.519 -0.968 3.091 1.00 1.21 H new ATOM 600 N ASP A 41 -8.688 6.655 0.133 1.00 0.58 N ATOM 601 CA ASP A 41 -9.044 7.988 -0.344 1.00 0.77 C ATOM 602 C ASP A 41 -7.788 8.826 -0.456 1.00 0.91 C ATOM 603 O ASP A 41 -7.488 9.379 -1.519 1.00 1.78 O ATOM 604 CB ASP A 41 -10.037 8.628 0.629 1.00 0.86 C ATOM 605 CG ASP A 41 -10.605 9.944 0.152 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.007 11.005 0.439 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.603 9.957 -0.575 1.00 2.34 O ATOM 0 H ASP A 41 -8.818 6.518 1.135 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.513 7.923 -1.326 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -10.858 7.932 0.804 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.541 8.784 1.587 1.00 0.86 H new ATOM 612 N SER A 42 -7.016 8.812 0.618 1.00 0.59 N ATOM 613 CA SER A 42 -5.732 9.510 0.709 1.00 0.58 C ATOM 614 C SER A 42 -5.166 9.372 2.118 1.00 0.51 C ATOM 615 O SER A 42 -4.014 8.964 2.299 1.00 0.51 O ATOM 616 CB SER A 42 -5.870 11.000 0.355 1.00 0.71 C ATOM 617 OG SER A 42 -6.797 11.647 1.275 1.00 0.97 O ATOM 0 H SER A 42 -7.263 8.308 1.470 1.00 0.59 H new ATOM 0 HA SER A 42 -5.054 9.052 -0.011 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.896 11.486 0.406 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.227 11.107 -0.669 1.00 0.71 H new ATOM 0 HG SER A 42 -6.878 12.596 1.044 1.00 0.97 H new ATOM 622 N LEU A 43 -5.992 9.669 3.112 1.00 0.48 N ATOM 623 CA LEU A 43 -5.584 9.592 4.508 1.00 0.51 C ATOM 624 C LEU A 43 -5.144 8.181 4.871 1.00 0.46 C ATOM 625 O LEU A 43 -4.064 7.986 5.412 1.00 0.50 O ATOM 626 CB LEU A 43 -6.703 10.059 5.431 1.00 0.60 C ATOM 627 CG LEU A 43 -6.369 10.073 6.926 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.212 11.017 7.221 1.00 1.40 C ATOM 629 CD2 LEU A 43 -7.583 10.467 7.723 1.00 1.64 C ATOM 0 H LEU A 43 -6.957 9.968 2.975 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.732 10.259 4.642 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.998 11.065 5.134 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.569 9.415 5.277 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.064 9.068 7.217 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -4.997 11.006 8.290 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -4.329 10.693 6.670 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.480 12.028 6.915 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -7.335 10.474 8.784 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -7.910 11.462 7.420 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -8.385 9.751 7.542 1.00 1.64 H new ATOM 641 N ALA A 44 -5.935 7.197 4.478 1.00 0.44 N ATOM 642 CA ALA A 44 -5.620 5.799 4.762 1.00 0.45 C ATOM 643 C ALA A 44 -4.343 5.391 4.051 1.00 0.41 C ATOM 644 O ALA A 44 -3.594 4.532 4.525 1.00 0.47 O ATOM 645 CB ALA A 44 -6.762 4.897 4.322 1.00 0.51 C ATOM 0 H ALA A 44 -6.803 7.336 3.960 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.479 5.692 5.837 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.511 3.859 4.541 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.670 5.172 4.859 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.925 5.013 3.250 1.00 0.51 H new ATOM 651 N LEU A 45 -4.078 6.036 2.932 1.00 0.39 N ATOM 652 CA LEU A 45 -2.907 5.752 2.147 1.00 0.42 C ATOM 653 C LEU A 45 -1.660 6.254 2.863 1.00 0.41 C ATOM 654 O LEU A 45 -0.706 5.508 3.026 1.00 0.44 O ATOM 655 CB LEU A 45 -3.029 6.355 0.737 1.00 0.50 C ATOM 656 CG LEU A 45 -1.852 6.116 -0.218 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.607 4.628 -0.415 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.111 6.791 -1.555 1.00 0.90 C ATOM 0 H LEU A 45 -4.672 6.770 2.547 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.819 4.672 2.030 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.931 5.955 0.273 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.172 7.431 0.838 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.958 6.552 0.227 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.768 4.484 -1.096 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.378 4.167 0.546 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.499 4.165 -0.836 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.268 6.613 -2.222 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.018 6.382 -2.000 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.233 7.863 -1.403 1.00 0.90 H new ATOM 670 N MET A 46 -1.695 7.500 3.346 1.00 0.42 N ATOM 671 CA MET A 46 -0.536 8.062 4.056 1.00 0.48 C ATOM 672 C MET A 46 -0.301 7.325 5.380 1.00 0.46 C ATOM 673 O MET A 46 0.840 7.177 5.825 1.00 0.53 O ATOM 674 CB MET A 46 -0.655 9.588 4.290 1.00 0.57 C ATOM 675 CG MET A 46 -1.752 10.011 5.257 1.00 0.58 C ATOM 676 SD MET A 46 -1.816 11.788 5.528 1.00 1.46 S ATOM 677 CE MET A 46 -0.194 12.099 6.233 1.00 1.78 C ATOM 0 H MET A 46 -2.494 8.129 3.263 1.00 0.42 H new ATOM 0 HA MET A 46 0.329 7.913 3.410 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.300 9.958 4.664 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.831 10.074 3.330 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.715 9.674 4.873 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.597 9.510 6.213 1.00 0.58 H new ATOM 0 HE1 MET A 46 -0.206 13.048 6.770 1.00 1.78 H new ATOM 0 HE2 MET A 46 0.063 11.295 6.923 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.547 12.143 5.435 1.00 1.78 H new ATOM 687 N GLU A 47 -1.389 6.864 6.000 1.00 0.44 N ATOM 688 CA GLU A 47 -1.306 6.073 7.218 1.00 0.49 C ATOM 689 C GLU A 47 -0.576 4.766 6.948 1.00 0.47 C ATOM 690 O GLU A 47 0.443 4.469 7.572 1.00 0.51 O ATOM 691 CB GLU A 47 -2.700 5.789 7.781 1.00 0.54 C ATOM 692 CG GLU A 47 -3.426 7.023 8.288 1.00 0.78 C ATOM 693 CD GLU A 47 -4.701 6.685 9.005 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.644 6.208 8.347 1.00 1.88 O ATOM 695 OE2 GLU A 47 -4.798 6.908 10.237 1.00 1.03 O ATOM 0 H GLU A 47 -2.341 7.029 5.672 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.747 6.646 7.958 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.304 5.318 7.006 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.612 5.071 8.597 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.770 7.576 8.961 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.649 7.681 7.448 1.00 0.78 H new ATOM 702 N THR A 48 -1.077 4.021 5.983 1.00 0.45 N ATOM 703 CA THR A 48 -0.506 2.747 5.622 1.00 0.48 C ATOM 704 C THR A 48 0.941 2.905 5.121 1.00 0.44 C ATOM 705 O THR A 48 1.791 2.102 5.457 1.00 0.46 O ATOM 706 CB THR A 48 -1.374 2.047 4.571 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.734 2.052 5.031 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.931 0.607 4.396 1.00 0.65 C ATOM 0 H THR A 48 -1.892 4.285 5.429 1.00 0.45 H new ATOM 0 HA THR A 48 -0.480 2.125 6.517 1.00 0.48 H new ATOM 0 HB THR A 48 -1.279 2.570 3.619 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.184 2.862 4.713 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.557 0.122 3.646 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.109 0.583 4.071 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.027 0.079 5.345 1.00 0.65 H new ATOM 716 N ALA A 49 1.205 3.962 4.352 1.00 0.45 N ATOM 717 CA ALA A 49 2.546 4.242 3.835 1.00 0.48 C ATOM 718 C ALA A 49 3.563 4.340 4.974 1.00 0.44 C ATOM 719 O ALA A 49 4.575 3.637 4.974 1.00 0.45 O ATOM 720 CB ALA A 49 2.548 5.528 3.014 1.00 0.57 C ATOM 0 H ALA A 49 0.501 4.644 4.071 1.00 0.45 H new ATOM 0 HA ALA A 49 2.835 3.414 3.188 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.553 5.719 2.639 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.861 5.425 2.174 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.231 6.361 3.642 1.00 0.57 H new ATOM 726 N ALA A 50 3.249 5.165 5.967 1.00 0.44 N ATOM 727 CA ALA A 50 4.121 5.359 7.121 1.00 0.46 C ATOM 728 C ALA A 50 4.248 4.073 7.923 1.00 0.44 C ATOM 729 O ALA A 50 5.315 3.746 8.455 1.00 0.44 O ATOM 730 CB ALA A 50 3.583 6.469 7.994 1.00 0.56 C ATOM 0 H ALA A 50 2.390 5.714 5.996 1.00 0.44 H new ATOM 0 HA ALA A 50 5.112 5.637 6.763 1.00 0.46 H new ATOM 0 HB1 ALA A 50 4.240 6.607 8.853 1.00 0.56 H new ATOM 0 HB2 ALA A 50 3.538 7.394 7.419 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.583 6.207 8.340 1.00 0.56 H new ATOM 736 N ARG A 51 3.158 3.337 7.987 1.00 0.46 N ATOM 737 CA ARG A 51 3.128 2.079 8.684 1.00 0.48 C ATOM 738 C ARG A 51 4.051 1.077 7.988 1.00 0.46 C ATOM 739 O ARG A 51 4.796 0.371 8.638 1.00 0.49 O ATOM 740 CB ARG A 51 1.713 1.548 8.730 1.00 0.54 C ATOM 741 CG ARG A 51 1.522 0.352 9.631 1.00 0.78 C ATOM 742 CD ARG A 51 0.100 -0.143 9.556 1.00 0.80 C ATOM 743 NE ARG A 51 -0.850 0.934 9.813 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.029 1.046 9.221 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.590 -0.017 8.642 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.687 2.197 9.285 1.00 3.14 N ATOM 0 H ARG A 51 2.271 3.598 7.556 1.00 0.46 H new ATOM 0 HA ARG A 51 3.478 2.227 9.706 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.049 2.347 9.062 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.407 1.278 7.719 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.206 -0.444 9.338 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.766 0.621 10.659 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.088 -0.569 8.570 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.048 -0.942 10.282 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.589 1.648 10.493 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.111 -0.917 8.655 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.498 0.071 8.186 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.284 2.988 9.788 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.596 2.291 8.831 1.00 3.14 H new ATOM 760 N LEU A 52 4.008 1.053 6.654 1.00 0.44 N ATOM 761 CA LEU A 52 4.868 0.176 5.854 1.00 0.46 C ATOM 762 C LEU A 52 6.319 0.482 6.130 1.00 0.38 C ATOM 763 O LEU A 52 7.143 -0.439 6.273 1.00 0.40 O ATOM 764 CB LEU A 52 4.591 0.339 4.353 1.00 0.55 C ATOM 765 CG LEU A 52 3.189 -0.033 3.871 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.049 0.241 2.392 1.00 0.83 C ATOM 767 CD2 LEU A 52 2.887 -1.487 4.167 1.00 0.80 C ATOM 0 H LEU A 52 3.381 1.636 6.100 1.00 0.44 H new ATOM 0 HA LEU A 52 4.647 -0.853 6.137 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.780 1.378 4.083 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.312 -0.269 3.806 1.00 0.55 H new ATOM 0 HG LEU A 52 2.469 0.583 4.410 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.045 -0.029 2.065 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.220 1.300 2.200 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.781 -0.350 1.842 1.00 0.83 H new ATOM 0 HD21 LEU A 52 1.884 -1.729 3.815 1.00 0.80 H new ATOM 0 HD22 LEU A 52 3.613 -2.120 3.657 1.00 0.80 H new ATOM 0 HD23 LEU A 52 2.946 -1.659 5.242 1.00 0.80 H new ATOM 779 N GLU A 53 6.626 1.774 6.223 1.00 0.35 N ATOM 780 CA GLU A 53 7.966 2.232 6.528 1.00 0.33 C ATOM 781 C GLU A 53 8.432 1.660 7.854 1.00 0.34 C ATOM 782 O GLU A 53 9.472 1.006 7.923 1.00 0.41 O ATOM 783 CB GLU A 53 8.042 3.762 6.548 1.00 0.34 C ATOM 784 CG GLU A 53 7.699 4.414 5.222 1.00 0.35 C ATOM 785 CD GLU A 53 7.903 5.905 5.240 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.955 6.631 5.604 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.998 6.383 4.892 1.00 0.49 O ATOM 0 H GLU A 53 5.950 2.526 6.088 1.00 0.35 H new ATOM 0 HA GLU A 53 8.629 1.876 5.739 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.363 4.139 7.313 1.00 0.34 H new ATOM 0 HB3 GLU A 53 9.049 4.062 6.839 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.315 3.976 4.436 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.661 4.196 4.972 1.00 0.35 H new ATOM 794 N SER A 54 7.636 1.861 8.875 1.00 0.36 N ATOM 795 CA SER A 54 7.926 1.384 10.215 1.00 0.43 C ATOM 796 C SER A 54 7.995 -0.172 10.265 1.00 0.42 C ATOM 797 O SER A 54 8.974 -0.753 10.751 1.00 0.48 O ATOM 798 CB SER A 54 6.840 1.917 11.176 1.00 0.55 C ATOM 799 OG SER A 54 7.082 1.544 12.525 1.00 1.22 O ATOM 0 H SER A 54 6.754 2.368 8.803 1.00 0.36 H new ATOM 0 HA SER A 54 8.904 1.754 10.522 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.797 3.004 11.104 1.00 0.55 H new ATOM 0 HB3 SER A 54 5.866 1.538 10.866 1.00 0.55 H new ATOM 0 HG SER A 54 6.372 1.904 13.096 1.00 1.22 H new ATOM 805 N ARG A 55 6.981 -0.812 9.712 1.00 0.44 N ATOM 806 CA ARG A 55 6.808 -2.266 9.754 1.00 0.51 C ATOM 807 C ARG A 55 7.901 -3.008 8.999 1.00 0.56 C ATOM 808 O ARG A 55 8.556 -3.885 9.552 1.00 0.64 O ATOM 809 CB ARG A 55 5.441 -2.614 9.159 1.00 0.60 C ATOM 810 CG ARG A 55 5.039 -4.084 9.173 1.00 0.77 C ATOM 811 CD ARG A 55 3.676 -4.216 8.522 1.00 0.95 C ATOM 812 NE ARG A 55 3.100 -5.562 8.563 1.00 1.51 N ATOM 813 CZ ARG A 55 1.787 -5.794 8.744 1.00 1.97 C ATOM 814 NH1 ARG A 55 0.996 -4.806 9.174 1.00 1.87 N ATOM 815 NH2 ARG A 55 1.285 -7.013 8.566 1.00 2.88 N ATOM 0 H ARG A 55 6.235 -0.332 9.209 1.00 0.44 H new ATOM 0 HA ARG A 55 6.872 -2.582 10.795 1.00 0.51 H new ATOM 0 HB2 ARG A 55 4.682 -2.049 9.700 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.422 -2.266 8.126 1.00 0.60 H new ATOM 0 HG2 ARG A 55 5.775 -4.683 8.636 1.00 0.77 H new ATOM 0 HG3 ARG A 55 5.008 -4.459 10.196 1.00 0.77 H new ATOM 0 HD2 ARG A 55 2.988 -3.527 9.012 1.00 0.95 H new ATOM 0 HD3 ARG A 55 3.755 -3.902 7.481 1.00 0.95 H new ATOM 0 HE ARG A 55 3.724 -6.361 8.449 1.00 1.51 H new ATOM 0 HH11 ARG A 55 1.389 -3.884 9.363 1.00 1.87 H new ATOM 0 HH12 ARG A 55 -0.000 -4.974 9.313 1.00 1.87 H new ATOM 0 HH21 ARG A 55 1.897 -7.781 8.290 1.00 2.88 H new ATOM 0 HH22 ARG A 55 0.288 -7.180 8.706 1.00 2.88 H new ATOM 829 N TYR A 56 8.116 -2.649 7.754 1.00 0.56 N ATOM 830 CA TYR A 56 9.031 -3.406 6.924 1.00 0.67 C ATOM 831 C TYR A 56 10.436 -2.839 6.923 1.00 0.70 C ATOM 832 O TYR A 56 11.384 -3.535 6.576 1.00 0.86 O ATOM 833 CB TYR A 56 8.489 -3.555 5.500 1.00 0.75 C ATOM 834 CG TYR A 56 7.171 -4.303 5.433 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.110 -5.672 5.661 1.00 1.09 C ATOM 836 CD2 TYR A 56 5.985 -3.633 5.149 1.00 0.82 C ATOM 837 CE1 TYR A 56 5.903 -6.349 5.607 1.00 1.24 C ATOM 838 CE2 TYR A 56 4.778 -4.303 5.094 1.00 0.96 C ATOM 839 CZ TYR A 56 4.759 -5.687 5.298 1.00 1.17 C ATOM 840 OH TYR A 56 3.539 -6.334 5.265 1.00 1.33 O ATOM 0 H TYR A 56 7.678 -1.849 7.297 1.00 0.56 H new ATOM 0 HA TYR A 56 9.103 -4.399 7.368 1.00 0.67 H new ATOM 0 HB2 TYR A 56 8.359 -2.565 5.063 1.00 0.75 H new ATOM 0 HB3 TYR A 56 9.227 -4.078 4.891 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.016 -6.216 5.883 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.008 -2.569 4.968 1.00 0.82 H new ATOM 0 HE1 TYR A 56 5.872 -7.409 5.812 1.00 1.24 H new ATOM 0 HE2 TYR A 56 3.862 -3.766 4.896 1.00 0.96 H new ATOM 0 HH TYR A 56 3.300 -6.534 4.336 1.00 1.33 H new ATOM 850 N GLY A 57 10.580 -1.607 7.347 1.00 0.61 N ATOM 851 CA GLY A 57 11.887 -0.990 7.350 1.00 0.68 C ATOM 852 C GLY A 57 12.183 -0.345 6.019 1.00 0.72 C ATOM 853 O GLY A 57 13.306 -0.397 5.521 1.00 0.91 O ATOM 0 H GLY A 57 9.821 -1.018 7.690 1.00 0.61 H new ATOM 0 HA2 GLY A 57 11.938 -0.241 8.140 1.00 0.68 H new ATOM 0 HA3 GLY A 57 12.647 -1.740 7.572 1.00 0.68 H new ATOM 857 N VAL A 58 11.172 0.252 5.436 1.00 0.62 N ATOM 858 CA VAL A 58 11.310 0.910 4.157 1.00 0.65 C ATOM 859 C VAL A 58 11.215 2.412 4.318 1.00 0.57 C ATOM 860 O VAL A 58 10.925 2.893 5.405 1.00 0.50 O ATOM 861 CB VAL A 58 10.305 0.413 3.077 1.00 0.67 C ATOM 862 CG1 VAL A 58 10.510 -1.057 2.795 1.00 0.81 C ATOM 863 CG2 VAL A 58 8.867 0.672 3.495 1.00 0.57 C ATOM 0 H VAL A 58 10.233 0.296 5.832 1.00 0.62 H new ATOM 0 HA VAL A 58 12.301 0.642 3.790 1.00 0.65 H new ATOM 0 HB VAL A 58 10.497 0.977 2.164 1.00 0.67 H new ATOM 0 HG11 VAL A 58 9.798 -1.385 2.038 1.00 0.81 H new ATOM 0 HG12 VAL A 58 11.525 -1.220 2.433 1.00 0.81 H new ATOM 0 HG13 VAL A 58 10.355 -1.628 3.710 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.192 0.313 2.718 1.00 0.57 H new ATOM 0 HG22 VAL A 58 8.659 0.147 4.428 1.00 0.57 H new ATOM 0 HG23 VAL A 58 8.717 1.742 3.640 1.00 0.57 H new ATOM 873 N SER A 59 11.450 3.127 3.255 1.00 0.63 N ATOM 874 CA SER A 59 11.384 4.564 3.248 1.00 0.63 C ATOM 875 C SER A 59 10.603 4.989 2.016 1.00 0.62 C ATOM 876 O SER A 59 11.010 4.696 0.874 1.00 0.73 O ATOM 877 CB SER A 59 12.802 5.139 3.198 1.00 0.83 C ATOM 878 OG SER A 59 13.616 4.555 4.219 1.00 1.41 O ATOM 0 H SER A 59 11.697 2.722 2.352 1.00 0.63 H new ATOM 0 HA SER A 59 10.892 4.933 4.148 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.243 4.949 2.220 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.767 6.221 3.327 1.00 0.83 H new ATOM 0 HG SER A 59 14.519 4.932 4.173 1.00 1.41 H new ATOM 884 N ILE A 60 9.458 5.575 2.241 1.00 0.52 N ATOM 885 CA ILE A 60 8.599 6.016 1.167 1.00 0.53 C ATOM 886 C ILE A 60 8.645 7.534 1.058 1.00 0.59 C ATOM 887 O ILE A 60 8.191 8.234 1.973 1.00 0.67 O ATOM 888 CB ILE A 60 7.125 5.559 1.376 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.055 4.032 1.539 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.258 6.007 0.195 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.662 3.504 1.805 1.00 0.55 C ATOM 0 H ILE A 60 9.091 5.762 3.174 1.00 0.52 H new ATOM 0 HA ILE A 60 8.966 5.562 0.247 1.00 0.53 H new ATOM 0 HB ILE A 60 6.744 6.023 2.286 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.444 3.562 0.636 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.708 3.734 2.359 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.230 5.681 0.354 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.286 7.094 0.115 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.640 5.565 -0.725 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.697 2.419 1.908 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.276 3.943 2.725 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.008 3.769 0.974 1.00 0.55 H new ATOM 903 N PRO A 61 9.219 8.070 -0.026 1.00 0.62 N ATOM 904 CA PRO A 61 9.247 9.511 -0.260 1.00 0.71 C ATOM 905 C PRO A 61 7.820 10.077 -0.418 1.00 0.65 C ATOM 906 O PRO A 61 6.944 9.448 -1.051 1.00 0.57 O ATOM 907 CB PRO A 61 10.044 9.656 -1.562 1.00 0.78 C ATOM 908 CG PRO A 61 10.796 8.376 -1.688 1.00 0.77 C ATOM 909 CD PRO A 61 9.909 7.331 -1.092 1.00 0.64 C ATOM 0 HA PRO A 61 9.691 10.062 0.569 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.384 9.813 -2.415 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.720 10.510 -1.520 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.019 8.153 -2.731 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.749 8.428 -1.162 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.210 6.927 -1.824 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.480 6.490 -0.699 1.00 0.64 H new ATOM 917 N ASP A 62 7.616 11.263 0.130 1.00 0.75 N ATOM 918 CA ASP A 62 6.302 11.936 0.209 1.00 0.78 C ATOM 919 C ASP A 62 5.632 12.070 -1.148 1.00 0.68 C ATOM 920 O ASP A 62 4.469 11.706 -1.305 1.00 0.67 O ATOM 921 CB ASP A 62 6.432 13.340 0.842 1.00 0.99 C ATOM 922 CG ASP A 62 6.934 13.338 2.275 1.00 1.34 C ATOM 923 OD1 ASP A 62 8.101 12.942 2.528 1.00 1.88 O ATOM 924 OD2 ASP A 62 6.142 13.674 3.185 1.00 2.03 O ATOM 0 H ASP A 62 8.370 11.810 0.547 1.00 0.75 H new ATOM 0 HA ASP A 62 5.678 11.301 0.839 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.110 13.938 0.233 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.459 13.831 0.811 1.00 0.99 H new ATOM 929 N ASP A 63 6.376 12.527 -2.150 1.00 0.67 N ATOM 930 CA ASP A 63 5.772 12.751 -3.473 1.00 0.67 C ATOM 931 C ASP A 63 5.490 11.433 -4.182 1.00 0.58 C ATOM 932 O ASP A 63 4.591 11.354 -5.016 1.00 0.60 O ATOM 933 CB ASP A 63 6.609 13.688 -4.382 1.00 0.85 C ATOM 934 CG ASP A 63 7.898 13.080 -4.903 1.00 1.44 C ATOM 935 OD1 ASP A 63 7.869 12.406 -5.962 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.950 13.246 -4.261 1.00 1.95 O ATOM 0 H ASP A 63 7.370 12.746 -2.084 1.00 0.67 H new ATOM 0 HA ASP A 63 4.828 13.261 -3.285 1.00 0.67 H new ATOM 0 HB2 ASP A 63 5.996 13.990 -5.231 1.00 0.85 H new ATOM 0 HB3 ASP A 63 6.849 14.593 -3.824 1.00 0.85 H new ATOM 941 N VAL A 64 6.192 10.388 -3.786 1.00 0.60 N ATOM 942 CA VAL A 64 6.007 9.078 -4.386 1.00 0.64 C ATOM 943 C VAL A 64 4.719 8.469 -3.853 1.00 0.60 C ATOM 944 O VAL A 64 3.924 7.924 -4.607 1.00 0.58 O ATOM 945 CB VAL A 64 7.205 8.135 -4.090 1.00 0.84 C ATOM 946 CG1 VAL A 64 6.982 6.756 -4.701 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.490 8.734 -4.627 1.00 0.98 C ATOM 0 H VAL A 64 6.897 10.420 -3.050 1.00 0.60 H new ATOM 0 HA VAL A 64 5.948 9.198 -5.468 1.00 0.64 H new ATOM 0 HB VAL A 64 7.285 8.023 -3.009 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.836 6.117 -4.478 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.079 6.314 -4.281 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.872 6.850 -5.781 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.322 8.063 -4.413 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.404 8.873 -5.705 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.669 9.698 -4.150 1.00 0.98 H new ATOM 957 N ALA A 65 4.499 8.617 -2.558 1.00 0.72 N ATOM 958 CA ALA A 65 3.290 8.107 -1.908 1.00 0.85 C ATOM 959 C ALA A 65 2.021 8.740 -2.497 1.00 0.80 C ATOM 960 O ALA A 65 0.957 8.147 -2.478 1.00 0.90 O ATOM 961 CB ALA A 65 3.357 8.343 -0.408 1.00 1.09 C ATOM 0 H ALA A 65 5.145 9.090 -1.926 1.00 0.72 H new ATOM 0 HA ALA A 65 3.239 7.034 -2.095 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.452 7.959 0.062 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.225 7.828 0.003 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.442 9.412 -0.211 1.00 1.09 H new ATOM 967 N GLY A 66 2.157 9.940 -3.031 1.00 0.73 N ATOM 968 CA GLY A 66 1.023 10.609 -3.623 1.00 0.81 C ATOM 969 C GLY A 66 0.954 10.451 -5.133 1.00 0.73 C ATOM 970 O GLY A 66 0.018 10.937 -5.768 1.00 0.92 O ATOM 0 H GLY A 66 3.032 10.463 -3.065 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.107 10.217 -3.181 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.067 11.670 -3.377 1.00 0.81 H new ATOM 974 N ARG A 67 1.942 9.797 -5.726 1.00 0.56 N ATOM 975 CA ARG A 67 1.930 9.608 -7.176 1.00 0.61 C ATOM 976 C ARG A 67 1.461 8.202 -7.513 1.00 0.58 C ATOM 977 O ARG A 67 1.108 7.903 -8.651 1.00 0.79 O ATOM 978 CB ARG A 67 3.311 9.852 -7.807 1.00 0.63 C ATOM 979 CG ARG A 67 4.328 8.741 -7.574 1.00 0.57 C ATOM 980 CD ARG A 67 5.632 9.044 -8.266 1.00 0.87 C ATOM 981 NE ARG A 67 6.583 7.938 -8.181 1.00 1.64 N ATOM 982 CZ ARG A 67 7.907 8.075 -8.162 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.452 9.283 -8.102 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.680 7.006 -8.180 1.00 3.30 N ATOM 0 H ARG A 67 2.746 9.395 -5.243 1.00 0.56 H new ATOM 0 HA ARG A 67 1.240 10.343 -7.591 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.185 9.990 -8.881 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.715 10.784 -7.412 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.500 8.620 -6.504 1.00 0.57 H new ATOM 0 HG3 ARG A 67 3.929 7.796 -7.942 1.00 0.57 H new ATOM 0 HD2 ARG A 67 5.438 9.272 -9.314 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.076 9.935 -7.822 1.00 0.87 H new ATOM 0 HE ARG A 67 6.205 6.992 -8.133 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.856 10.110 -8.070 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.467 9.384 -8.088 1.00 2.40 H new ATOM 0 HH21 ARG A 67 8.263 6.076 -8.208 1.00 3.30 H new ATOM 0 HH22 ARG A 67 9.695 7.110 -8.165 1.00 3.30 H new ATOM 998 N VAL A 68 1.470 7.339 -6.520 1.00 0.45 N ATOM 999 CA VAL A 68 1.095 5.964 -6.720 1.00 0.45 C ATOM 1000 C VAL A 68 -0.420 5.811 -6.631 1.00 0.46 C ATOM 1001 O VAL A 68 -1.023 5.934 -5.576 1.00 0.53 O ATOM 1002 CB VAL A 68 1.851 4.985 -5.744 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.341 5.004 -6.039 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.625 5.318 -4.274 1.00 0.85 C ATOM 0 H VAL A 68 1.735 7.571 -5.563 1.00 0.45 H new ATOM 0 HA VAL A 68 1.406 5.677 -7.724 1.00 0.45 H new ATOM 0 HB VAL A 68 1.440 3.991 -5.920 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.855 4.324 -5.359 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.512 4.687 -7.068 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.726 6.014 -5.902 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.171 4.609 -3.652 1.00 0.85 H new ATOM 0 HG22 VAL A 68 1.981 6.328 -4.071 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.561 5.256 -4.046 1.00 0.85 H new ATOM 1014 N ASP A 69 -1.032 5.661 -7.772 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.472 5.489 -7.851 1.00 0.53 C ATOM 1016 C ASP A 69 -2.818 4.015 -7.809 1.00 0.42 C ATOM 1017 O ASP A 69 -3.948 3.646 -7.502 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.069 6.147 -9.117 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.642 5.491 -10.418 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -1.461 5.644 -10.820 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -3.477 4.850 -11.076 1.00 2.04 O ATOM 0 H ASP A 69 -0.558 5.653 -8.675 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.913 5.991 -6.990 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -4.157 6.120 -9.049 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -2.777 7.197 -9.139 1.00 0.71 H new ATOM 1026 N THR A 70 -1.838 3.172 -8.072 1.00 0.35 N ATOM 1027 CA THR A 70 -2.032 1.750 -8.020 1.00 0.29 C ATOM 1028 C THR A 70 -0.969 1.132 -7.121 1.00 0.26 C ATOM 1029 O THR A 70 0.190 1.608 -7.091 1.00 0.29 O ATOM 1030 CB THR A 70 -1.966 1.100 -9.431 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.750 1.482 -10.096 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.167 1.486 -10.287 1.00 0.39 C ATOM 0 H THR A 70 -0.893 3.459 -8.326 1.00 0.35 H new ATOM 0 HA THR A 70 -3.027 1.561 -7.618 1.00 0.29 H new ATOM 0 HB THR A 70 -1.984 0.018 -9.296 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.718 1.066 -10.983 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.084 1.012 -11.265 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.083 1.154 -9.799 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.193 2.569 -10.410 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.335 0.086 -6.353 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.421 -0.613 -5.448 1.00 0.31 C ATOM 1042 C PRO A 71 0.795 -1.176 -6.160 1.00 0.32 C ATOM 1043 O PRO A 71 1.803 -1.402 -5.534 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.270 -1.740 -4.874 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.654 -1.234 -4.982 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.692 -0.475 -6.266 1.00 0.30 C ATOM 0 HA PRO A 71 -0.017 0.060 -4.692 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.138 -2.665 -5.435 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.003 -1.954 -3.839 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.374 -2.053 -4.987 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -2.906 -0.593 -4.137 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.917 -1.124 -7.113 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.452 0.306 -6.252 1.00 0.30 H new ATOM 1054 N ARG A 72 0.678 -1.392 -7.473 1.00 0.32 N ATOM 1055 CA ARG A 72 1.783 -1.857 -8.310 1.00 0.38 C ATOM 1056 C ARG A 72 3.041 -0.998 -8.079 1.00 0.35 C ATOM 1057 O ARG A 72 4.105 -1.513 -7.726 1.00 0.36 O ATOM 1058 CB ARG A 72 1.387 -1.791 -9.790 1.00 0.45 C ATOM 1059 CG ARG A 72 2.496 -2.189 -10.765 1.00 0.88 C ATOM 1060 CD ARG A 72 2.038 -2.023 -12.203 1.00 0.81 C ATOM 1061 NE ARG A 72 0.898 -2.894 -12.504 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.250 -2.521 -13.091 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.458 -1.252 -13.443 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.194 -3.425 -13.317 1.00 1.55 N ATOM 0 H ARG A 72 -0.192 -1.248 -7.986 1.00 0.32 H new ATOM 0 HA ARG A 72 2.005 -2.889 -8.037 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.528 -2.442 -9.952 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.065 -0.776 -10.021 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.379 -1.576 -10.587 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.786 -3.225 -10.589 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.761 -0.984 -12.381 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.862 -2.253 -12.878 1.00 0.81 H new ATOM 0 HE ARG A 72 0.985 -3.876 -12.243 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.260 -0.550 -13.267 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.336 -0.984 -13.888 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.045 -4.397 -13.045 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.069 -3.148 -13.763 1.00 1.55 H new ATOM 1078 N GLU A 73 2.889 0.316 -8.251 1.00 0.34 N ATOM 1079 CA GLU A 73 3.990 1.254 -8.072 1.00 0.36 C ATOM 1080 C GLU A 73 4.441 1.344 -6.625 1.00 0.32 C ATOM 1081 O GLU A 73 5.632 1.511 -6.343 1.00 0.35 O ATOM 1082 CB GLU A 73 3.641 2.634 -8.602 1.00 0.42 C ATOM 1083 CG GLU A 73 3.617 2.740 -10.103 1.00 0.60 C ATOM 1084 CD GLU A 73 3.465 4.164 -10.553 1.00 1.37 C ATOM 1085 OE1 GLU A 73 4.402 4.961 -10.370 1.00 1.78 O ATOM 1086 OE2 GLU A 73 2.397 4.520 -11.073 1.00 2.18 O ATOM 0 H GLU A 73 2.006 0.754 -8.516 1.00 0.34 H new ATOM 0 HA GLU A 73 4.823 0.861 -8.655 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.663 2.921 -8.215 1.00 0.42 H new ATOM 0 HB3 GLU A 73 4.362 3.352 -8.211 1.00 0.42 H new ATOM 0 HG2 GLU A 73 4.538 2.324 -10.513 1.00 0.60 H new ATOM 0 HG3 GLU A 73 2.795 2.143 -10.498 1.00 0.60 H new ATOM 1093 N LEU A 74 3.496 1.223 -5.720 1.00 0.31 N ATOM 1094 CA LEU A 74 3.784 1.287 -4.302 1.00 0.32 C ATOM 1095 C LEU A 74 4.625 0.058 -3.906 1.00 0.30 C ATOM 1096 O LEU A 74 5.664 0.190 -3.267 1.00 0.31 O ATOM 1097 CB LEU A 74 2.443 1.406 -3.513 1.00 0.36 C ATOM 1098 CG LEU A 74 2.492 1.681 -1.985 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.924 0.459 -1.199 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.404 2.870 -1.681 1.00 0.44 C ATOM 0 H LEU A 74 2.511 1.078 -5.943 1.00 0.31 H new ATOM 0 HA LEU A 74 4.374 2.169 -4.053 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.860 2.204 -3.973 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.889 0.479 -3.663 1.00 0.36 H new ATOM 0 HG LEU A 74 1.479 1.926 -1.667 1.00 0.39 H new ATOM 0 HD11 LEU A 74 2.944 0.699 -0.136 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.220 -0.354 -1.375 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.919 0.153 -1.520 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.425 3.047 -0.606 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.413 2.654 -2.033 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.025 3.758 -2.187 1.00 0.44 H new ATOM 1112 N LEU A 75 4.179 -1.114 -4.348 1.00 0.29 N ATOM 1113 CA LEU A 75 4.854 -2.397 -4.129 1.00 0.30 C ATOM 1114 C LEU A 75 6.283 -2.319 -4.649 1.00 0.29 C ATOM 1115 O LEU A 75 7.236 -2.771 -3.995 1.00 0.30 O ATOM 1116 CB LEU A 75 4.088 -3.495 -4.885 1.00 0.33 C ATOM 1117 CG LEU A 75 4.611 -4.923 -4.771 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.513 -5.412 -3.346 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.845 -5.838 -5.706 1.00 0.45 C ATOM 0 H LEU A 75 3.315 -1.204 -4.883 1.00 0.29 H new ATOM 0 HA LEU A 75 4.876 -2.627 -3.064 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.055 -3.486 -4.536 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.070 -3.226 -5.941 1.00 0.33 H new ATOM 0 HG LEU A 75 5.662 -4.933 -5.061 1.00 0.37 H new ATOM 0 HD11 LEU A 75 4.891 -6.433 -3.285 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.106 -4.766 -2.698 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.472 -5.391 -3.025 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.228 -6.854 -5.615 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.787 -5.824 -5.443 1.00 0.45 H new ATOM 0 HD23 LEU A 75 3.968 -5.494 -6.733 1.00 0.45 H new ATOM 1131 N ASP A 76 6.412 -1.746 -5.826 1.00 0.31 N ATOM 1132 CA ASP A 76 7.696 -1.510 -6.475 1.00 0.34 C ATOM 1133 C ASP A 76 8.620 -0.661 -5.596 1.00 0.32 C ATOM 1134 O ASP A 76 9.780 -1.025 -5.355 1.00 0.34 O ATOM 1135 CB ASP A 76 7.466 -0.824 -7.817 1.00 0.45 C ATOM 1136 CG ASP A 76 8.742 -0.429 -8.503 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.397 -1.303 -9.110 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.097 0.762 -8.477 1.00 1.25 O ATOM 0 H ASP A 76 5.615 -1.423 -6.374 1.00 0.31 H new ATOM 0 HA ASP A 76 8.185 -2.471 -6.633 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.902 -1.492 -8.468 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.853 0.064 -7.664 1.00 0.45 H new ATOM 1143 N LEU A 77 8.073 0.434 -5.075 1.00 0.32 N ATOM 1144 CA LEU A 77 8.820 1.363 -4.234 1.00 0.36 C ATOM 1145 C LEU A 77 9.276 0.656 -2.954 1.00 0.34 C ATOM 1146 O LEU A 77 10.413 0.840 -2.501 1.00 0.40 O ATOM 1147 CB LEU A 77 7.940 2.621 -3.937 1.00 0.41 C ATOM 1148 CG LEU A 77 8.576 3.838 -3.201 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.831 3.576 -1.723 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.858 4.271 -3.891 1.00 1.35 C ATOM 0 H LEU A 77 7.100 0.702 -5.224 1.00 0.32 H new ATOM 0 HA LEU A 77 9.717 1.702 -4.752 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.550 2.981 -4.889 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.085 2.291 -3.347 1.00 0.41 H new ATOM 0 HG LEU A 77 7.846 4.646 -3.254 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.275 4.461 -1.268 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.888 3.346 -1.226 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.513 2.732 -1.615 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.287 5.122 -3.362 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.570 3.446 -3.887 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.639 4.557 -4.920 1.00 1.35 H new ATOM 1162 N ILE A 78 8.407 -0.180 -2.409 1.00 0.30 N ATOM 1163 CA ILE A 78 8.706 -0.926 -1.198 1.00 0.32 C ATOM 1164 C ILE A 78 9.859 -1.887 -1.461 1.00 0.33 C ATOM 1165 O ILE A 78 10.836 -1.894 -0.728 1.00 0.39 O ATOM 1166 CB ILE A 78 7.470 -1.738 -0.710 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.282 -0.819 -0.411 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.814 -2.569 0.518 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.548 0.220 0.654 1.00 0.42 C ATOM 0 H ILE A 78 7.479 -0.360 -2.792 1.00 0.30 H new ATOM 0 HA ILE A 78 8.978 -0.210 -0.422 1.00 0.32 H new ATOM 0 HB ILE A 78 7.184 -2.413 -1.517 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.990 -0.312 -1.331 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.434 -1.430 -0.101 1.00 0.36 H new ATOM 0 HG21 ILE A 78 6.934 -3.126 0.838 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.615 -3.266 0.273 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.140 -1.911 1.323 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.654 0.827 0.802 1.00 0.42 H new ATOM 0 HD12 ILE A 78 6.809 -0.276 1.589 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.373 0.860 0.340 1.00 0.42 H new ATOM 1181 N ASN A 79 9.753 -2.665 -2.525 1.00 0.33 N ATOM 1182 CA ASN A 79 10.778 -3.660 -2.862 1.00 0.38 C ATOM 1183 C ASN A 79 12.138 -3.042 -3.149 1.00 0.38 C ATOM 1184 O ASN A 79 13.169 -3.648 -2.851 1.00 0.42 O ATOM 1185 CB ASN A 79 10.343 -4.601 -3.998 1.00 0.46 C ATOM 1186 CG ASN A 79 9.374 -5.681 -3.536 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.780 -6.761 -3.116 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.105 -5.423 -3.607 1.00 0.82 N ATOM 0 H ASN A 79 8.969 -2.633 -3.176 1.00 0.33 H new ATOM 0 HA ASN A 79 10.890 -4.268 -1.964 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.875 -4.015 -4.789 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.226 -5.073 -4.430 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.425 -6.123 -3.311 1.00 0.82 H new ATOM 0 HD22 ASN A 79 7.787 -4.520 -3.959 1.00 0.82 H new ATOM 1195 N GLY A 80 12.151 -1.846 -3.704 1.00 0.38 N ATOM 1196 CA GLY A 80 13.414 -1.162 -3.918 1.00 0.46 C ATOM 1197 C GLY A 80 13.984 -0.648 -2.613 1.00 0.50 C ATOM 1198 O GLY A 80 15.189 -0.693 -2.389 1.00 0.62 O ATOM 0 H GLY A 80 11.322 -1.336 -4.009 1.00 0.38 H new ATOM 0 HA2 GLY A 80 14.125 -1.843 -4.386 1.00 0.46 H new ATOM 0 HA3 GLY A 80 13.268 -0.330 -4.607 1.00 0.46 H new ATOM 1202 N ALA A 81 13.106 -0.196 -1.738 1.00 0.47 N ATOM 1203 CA ALA A 81 13.497 0.320 -0.437 1.00 0.57 C ATOM 1204 C ALA A 81 13.909 -0.801 0.525 1.00 0.62 C ATOM 1205 O ALA A 81 14.612 -0.555 1.514 1.00 0.80 O ATOM 1206 CB ALA A 81 12.388 1.156 0.159 1.00 0.59 C ATOM 0 H ALA A 81 12.100 -0.176 -1.908 1.00 0.47 H new ATOM 0 HA ALA A 81 14.371 0.954 -0.587 1.00 0.57 H new ATOM 0 HB1 ALA A 81 12.700 1.533 1.133 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.169 1.995 -0.502 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.494 0.544 0.277 1.00 0.59 H new ATOM 1212 N LEU A 82 13.462 -2.032 0.234 1.00 0.54 N ATOM 1213 CA LEU A 82 13.805 -3.228 1.033 1.00 0.61 C ATOM 1214 C LEU A 82 15.290 -3.515 0.996 1.00 0.74 C ATOM 1215 O LEU A 82 15.815 -4.250 1.840 1.00 0.89 O ATOM 1216 CB LEU A 82 13.049 -4.474 0.551 1.00 0.54 C ATOM 1217 CG LEU A 82 11.551 -4.523 0.824 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.962 -5.777 0.219 1.00 0.63 C ATOM 1219 CD2 LEU A 82 11.282 -4.498 2.319 1.00 0.68 C ATOM 0 H LEU A 82 12.853 -2.231 -0.560 1.00 0.54 H new ATOM 0 HA LEU A 82 13.506 -3.004 2.057 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.201 -4.567 -0.524 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.507 -5.348 1.014 1.00 0.54 H new ATOM 0 HG LEU A 82 11.084 -3.648 0.371 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.891 -5.808 0.417 1.00 0.63 H new ATOM 0 HD12 LEU A 82 11.132 -5.776 -0.858 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.438 -6.652 0.661 1.00 0.63 H new ATOM 0 HD21 LEU A 82 10.207 -4.534 2.496 1.00 0.68 H new ATOM 0 HD22 LEU A 82 11.756 -5.360 2.788 1.00 0.68 H new ATOM 0 HD23 LEU A 82 11.690 -3.582 2.747 1.00 0.68 H new