USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 49 ASN : amide:sc= -7.79! C(o=-9.1!,f=-13!) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.35 K(o=-9.1,f=-12!) USER MOD Set 2.1: A 9 GLN : amide:sc= -2.52 K(o=-2.7,f=0.051!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -137:sc= -0.176 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -179:sc= 0.683 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.071) USER MOD Single : A 21 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.019) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -70:sc= 0.658 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 21:sc= 0.373 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.355 16.506 -17.818 1.00 0.00 N ATOM 2 CA GLY A 1 2.306 17.479 -17.312 1.00 0.00 C ATOM 3 C GLY A 1 3.053 16.980 -16.092 1.00 0.00 C ATOM 4 O GLY A 1 4.025 16.235 -16.212 1.00 0.00 O ATOM 0 H1 GLY A 1 0.871 16.895 -18.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.858 15.635 -18.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.654 16.289 -17.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.021 17.725 -18.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.780 18.400 -17.060 1.00 0.00 H new ATOM 8 N SER A 2 2.599 17.393 -14.912 1.00 0.00 N ATOM 9 CA SER A 2 3.235 16.987 -13.664 1.00 0.00 C ATOM 10 C SER A 2 2.216 16.930 -12.530 1.00 0.00 C ATOM 11 O SER A 2 1.078 17.374 -12.679 1.00 0.00 O ATOM 12 CB SER A 2 4.363 17.955 -13.304 1.00 0.00 C ATOM 13 OG SER A 2 3.846 19.195 -12.852 1.00 0.00 O ATOM 0 H SER A 2 1.794 18.008 -14.795 1.00 0.00 H new ATOM 0 HA SER A 2 3.653 15.990 -13.804 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.991 17.515 -12.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.998 18.118 -14.175 1.00 0.00 H new ATOM 0 HG SER A 2 4.587 19.796 -12.627 1.00 0.00 H new ATOM 19 N SER A 3 2.635 16.378 -11.395 1.00 0.00 N ATOM 20 CA SER A 3 1.759 16.259 -10.235 1.00 0.00 C ATOM 21 C SER A 3 1.019 17.567 -9.975 1.00 0.00 C ATOM 22 O SER A 3 1.441 18.632 -10.425 1.00 0.00 O ATOM 23 CB SER A 3 2.568 15.863 -8.998 1.00 0.00 C ATOM 24 OG SER A 3 1.715 15.492 -7.929 1.00 0.00 O ATOM 0 H SER A 3 3.575 16.007 -11.254 1.00 0.00 H new ATOM 0 HA SER A 3 1.024 15.482 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.231 15.033 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.200 16.696 -8.691 1.00 0.00 H new ATOM 0 HG SER A 3 2.256 15.242 -7.151 1.00 0.00 H new ATOM 30 N GLY A 4 -0.089 17.479 -9.246 1.00 0.00 N ATOM 31 CA GLY A 4 -0.872 18.662 -8.939 1.00 0.00 C ATOM 32 C GLY A 4 -0.766 19.065 -7.482 1.00 0.00 C ATOM 33 O GLY A 4 -0.666 20.250 -7.164 1.00 0.00 O ATOM 0 H GLY A 4 -0.459 16.609 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.538 19.488 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.917 18.476 -9.186 1.00 0.00 H new ATOM 37 N SER A 5 -0.789 18.076 -6.593 1.00 0.00 N ATOM 38 CA SER A 5 -0.700 18.334 -5.160 1.00 0.00 C ATOM 39 C SER A 5 0.432 17.527 -4.532 1.00 0.00 C ATOM 40 O SER A 5 0.689 16.389 -4.924 1.00 0.00 O ATOM 41 CB SER A 5 -2.025 17.994 -4.476 1.00 0.00 C ATOM 42 OG SER A 5 -2.045 18.465 -3.140 1.00 0.00 O ATOM 0 H SER A 5 -0.868 17.090 -6.840 1.00 0.00 H new ATOM 0 HA SER A 5 -0.488 19.394 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.850 18.438 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.177 16.915 -4.487 1.00 0.00 H new ATOM 0 HG SER A 5 -2.903 18.237 -2.725 1.00 0.00 H new ATOM 48 N SER A 6 1.105 18.125 -3.555 1.00 0.00 N ATOM 49 CA SER A 6 2.212 17.464 -2.873 1.00 0.00 C ATOM 50 C SER A 6 1.860 17.177 -1.417 1.00 0.00 C ATOM 51 O SER A 6 0.999 17.833 -0.834 1.00 0.00 O ATOM 52 CB SER A 6 3.472 18.329 -2.944 1.00 0.00 C ATOM 53 OG SER A 6 3.841 18.583 -4.289 1.00 0.00 O ATOM 0 H SER A 6 0.903 19.066 -3.217 1.00 0.00 H new ATOM 0 HA SER A 6 2.402 16.516 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.299 19.273 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.291 17.828 -2.427 1.00 0.00 H new ATOM 0 HG SER A 6 4.648 19.139 -4.307 1.00 0.00 H new ATOM 59 N GLY A 7 2.534 16.189 -0.835 1.00 0.00 N ATOM 60 CA GLY A 7 2.279 15.831 0.548 1.00 0.00 C ATOM 61 C GLY A 7 1.493 14.541 0.677 1.00 0.00 C ATOM 62 O GLY A 7 1.801 13.701 1.523 1.00 0.00 O ATOM 0 H GLY A 7 3.252 15.631 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.228 15.729 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.730 16.638 1.034 1.00 0.00 H new ATOM 66 N ALA A 8 0.474 14.384 -0.162 1.00 0.00 N ATOM 67 CA ALA A 8 -0.358 13.188 -0.137 1.00 0.00 C ATOM 68 C ALA A 8 0.476 11.934 -0.380 1.00 0.00 C ATOM 69 O ALA A 8 0.800 11.605 -1.521 1.00 0.00 O ATOM 70 CB ALA A 8 -1.467 13.295 -1.173 1.00 0.00 C ATOM 0 H ALA A 8 0.205 15.070 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.807 13.108 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.081 12.395 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.087 14.164 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.029 13.403 -2.165 1.00 0.00 H new ATOM 76 N GLN A 9 0.821 11.240 0.700 1.00 0.00 N ATOM 77 CA GLN A 9 1.618 10.023 0.602 1.00 0.00 C ATOM 78 C GLN A 9 1.034 9.070 -0.435 1.00 0.00 C ATOM 79 O GLN A 9 -0.182 8.901 -0.520 1.00 0.00 O ATOM 80 CB GLN A 9 1.696 9.329 1.963 1.00 0.00 C ATOM 81 CG GLN A 9 2.236 10.219 3.071 1.00 0.00 C ATOM 82 CD GLN A 9 3.476 10.983 2.652 1.00 0.00 C ATOM 83 OE1 GLN A 9 3.433 12.198 2.451 1.00 0.00 O ATOM 84 NE2 GLN A 9 4.591 10.275 2.517 1.00 0.00 N ATOM 0 H GLN A 9 0.561 11.499 1.652 1.00 0.00 H new ATOM 0 HA GLN A 9 2.623 10.302 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.701 8.980 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.330 8.447 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.463 10.926 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.468 9.607 3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.582 9.270 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.457 10.736 2.237 1.00 0.00 H new ATOM 93 N GLU A 10 1.908 8.452 -1.223 1.00 0.00 N ATOM 94 CA GLU A 10 1.478 7.518 -2.256 1.00 0.00 C ATOM 95 C GLU A 10 1.840 6.084 -1.878 1.00 0.00 C ATOM 96 O GLU A 10 2.832 5.844 -1.190 1.00 0.00 O ATOM 97 CB GLU A 10 2.114 7.879 -3.600 1.00 0.00 C ATOM 98 CG GLU A 10 1.800 9.292 -4.061 1.00 0.00 C ATOM 99 CD GLU A 10 0.460 9.393 -4.764 1.00 0.00 C ATOM 100 OE1 GLU A 10 -0.560 9.010 -4.155 1.00 0.00 O ATOM 101 OE2 GLU A 10 0.433 9.855 -5.924 1.00 0.00 O ATOM 0 H GLU A 10 2.918 8.582 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 10 0.394 7.590 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.195 7.762 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.770 7.174 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.806 9.961 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.586 9.633 -4.735 1.00 0.00 H new ATOM 108 N TYR A 11 1.029 5.136 -2.333 1.00 0.00 N ATOM 109 CA TYR A 11 1.261 3.726 -2.041 1.00 0.00 C ATOM 110 C TYR A 11 1.215 2.891 -3.317 1.00 0.00 C ATOM 111 O TYR A 11 0.268 2.984 -4.099 1.00 0.00 O ATOM 112 CB TYR A 11 0.222 3.212 -1.043 1.00 0.00 C ATOM 113 CG TYR A 11 0.539 3.560 0.394 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.317 4.840 0.885 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.059 2.606 1.261 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.606 5.162 2.197 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.350 2.919 2.575 1.00 0.00 C ATOM 118 CZ TYR A 11 1.122 4.198 3.038 1.00 0.00 C ATOM 119 OH TYR A 11 1.409 4.514 4.346 1.00 0.00 O ATOM 0 H TYR A 11 0.205 5.318 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 11 2.254 3.631 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.753 3.625 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.145 2.129 -1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.089 5.597 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.239 1.604 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.429 6.163 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.754 2.166 3.236 1.00 0.00 H new ATOM 0 HH TYR A 11 1.764 3.723 4.803 1.00 0.00 H new ATOM 129 N ARG A 12 2.244 2.075 -3.520 1.00 0.00 N ATOM 130 CA ARG A 12 2.322 1.222 -4.700 1.00 0.00 C ATOM 131 C ARG A 12 1.912 -0.209 -4.365 1.00 0.00 C ATOM 132 O ARG A 12 2.497 -0.844 -3.489 1.00 0.00 O ATOM 133 CB ARG A 12 3.740 1.237 -5.273 1.00 0.00 C ATOM 134 CG ARG A 12 3.905 0.374 -6.513 1.00 0.00 C ATOM 135 CD ARG A 12 5.336 -0.115 -6.665 1.00 0.00 C ATOM 136 NE ARG A 12 5.635 -1.221 -5.760 1.00 0.00 N ATOM 137 CZ ARG A 12 5.204 -2.463 -5.949 1.00 0.00 C ATOM 138 NH1 ARG A 12 4.458 -2.756 -7.005 1.00 0.00 N ATOM 139 NH2 ARG A 12 5.518 -3.416 -5.080 1.00 0.00 N ATOM 0 H ARG A 12 3.035 1.986 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 12 1.631 1.614 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.014 2.264 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.436 0.895 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.231 -0.481 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.619 0.945 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.503 -0.433 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.023 0.708 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 12 6.206 -1.029 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.214 -2.027 -7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.128 -3.711 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.091 -3.195 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.186 -4.369 -5.227 1.00 0.00 H new ATOM 153 N ALA A 13 0.902 -0.710 -5.069 1.00 0.00 N ATOM 154 CA ALA A 13 0.415 -2.066 -4.848 1.00 0.00 C ATOM 155 C ALA A 13 1.569 -3.059 -4.776 1.00 0.00 C ATOM 156 O ALA A 13 2.674 -2.777 -5.243 1.00 0.00 O ATOM 157 CB ALA A 13 -0.558 -2.463 -5.949 1.00 0.00 C ATOM 0 H ALA A 13 0.405 -0.197 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.107 -2.087 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.914 -3.478 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.405 -1.777 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.053 -2.419 -6.914 1.00 0.00 H new ATOM 163 N LEU A 14 1.308 -4.221 -4.189 1.00 0.00 N ATOM 164 CA LEU A 14 2.326 -5.257 -4.055 1.00 0.00 C ATOM 165 C LEU A 14 1.846 -6.574 -4.656 1.00 0.00 C ATOM 166 O LEU A 14 2.648 -7.388 -5.114 1.00 0.00 O ATOM 167 CB LEU A 14 2.687 -5.458 -2.582 1.00 0.00 C ATOM 168 CG LEU A 14 3.433 -4.304 -1.911 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.165 -4.294 -0.414 1.00 0.00 C ATOM 170 CD2 LEU A 14 4.926 -4.402 -2.186 1.00 0.00 C ATOM 0 H LEU A 14 0.399 -4.470 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 14 3.213 -4.932 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.768 -5.643 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.297 -6.357 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 14 3.067 -3.367 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.704 -3.466 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.096 -4.175 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.502 -5.234 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.441 -3.573 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.307 -5.345 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.102 -4.359 -3.261 1.00 0.00 H new ATOM 182 N TYR A 15 0.533 -6.775 -4.653 1.00 0.00 N ATOM 183 CA TYR A 15 -0.055 -7.993 -5.198 1.00 0.00 C ATOM 184 C TYR A 15 -1.421 -7.710 -5.815 1.00 0.00 C ATOM 185 O TYR A 15 -2.318 -7.189 -5.152 1.00 0.00 O ATOM 186 CB TYR A 15 -0.187 -9.055 -4.105 1.00 0.00 C ATOM 187 CG TYR A 15 1.030 -9.159 -3.213 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.190 -9.782 -3.656 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.019 -8.634 -1.926 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.303 -9.881 -2.844 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.128 -8.726 -1.108 1.00 0.00 C ATOM 192 CZ TYR A 15 3.267 -9.351 -1.571 1.00 0.00 C ATOM 193 OH TYR A 15 4.375 -9.446 -0.760 1.00 0.00 O ATOM 0 H TYR A 15 -0.144 -6.110 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 15 0.606 -8.366 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.059 -8.827 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.370 -10.023 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.222 -10.196 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.128 -8.146 -1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.196 -10.370 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.103 -8.311 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 15 4.186 -9.022 0.103 1.00 0.00 H new ATOM 203 N ASP A 16 -1.572 -8.059 -7.088 1.00 0.00 N ATOM 204 CA ASP A 16 -2.829 -7.845 -7.796 1.00 0.00 C ATOM 205 C ASP A 16 -3.999 -8.435 -7.016 1.00 0.00 C ATOM 206 O ASP A 16 -4.201 -9.649 -7.005 1.00 0.00 O ATOM 207 CB ASP A 16 -2.765 -8.466 -9.192 1.00 0.00 C ATOM 208 CG ASP A 16 -2.368 -9.929 -9.157 1.00 0.00 C ATOM 209 OD1 ASP A 16 -3.256 -10.780 -8.939 1.00 0.00 O ATOM 210 OD2 ASP A 16 -1.170 -10.223 -9.348 1.00 0.00 O ATOM 0 H ASP A 16 -0.839 -8.491 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.985 -6.771 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.737 -8.368 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.049 -7.913 -9.800 1.00 0.00 H new ATOM 215 N TYR A 17 -4.766 -7.568 -6.364 1.00 0.00 N ATOM 216 CA TYR A 17 -5.914 -8.004 -5.578 1.00 0.00 C ATOM 217 C TYR A 17 -7.186 -7.994 -6.421 1.00 0.00 C ATOM 218 O TYR A 17 -7.435 -7.058 -7.182 1.00 0.00 O ATOM 219 CB TYR A 17 -6.092 -7.104 -4.355 1.00 0.00 C ATOM 220 CG TYR A 17 -7.404 -7.315 -3.633 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.514 -8.249 -2.610 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.533 -6.581 -3.974 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.711 -8.446 -1.949 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.734 -6.770 -3.317 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.818 -7.704 -2.306 1.00 0.00 C ATOM 226 OH TYR A 17 -11.011 -7.896 -1.649 1.00 0.00 O ATOM 0 H TYR A 17 -4.613 -6.559 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.728 -9.025 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.272 -7.283 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.023 -6.062 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.649 -8.831 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.471 -5.850 -4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.780 -9.177 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.602 -6.190 -3.594 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.694 -7.306 -2.031 1.00 0.00 H new ATOM 236 N THR A 18 -7.991 -9.042 -6.279 1.00 0.00 N ATOM 237 CA THR A 18 -9.237 -9.156 -7.025 1.00 0.00 C ATOM 238 C THR A 18 -10.425 -8.702 -6.185 1.00 0.00 C ATOM 239 O THR A 18 -10.755 -9.321 -5.174 1.00 0.00 O ATOM 240 CB THR A 18 -9.480 -10.603 -7.496 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.391 -11.039 -8.318 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.783 -10.707 -8.274 1.00 0.00 C ATOM 0 H THR A 18 -7.802 -9.825 -5.653 1.00 0.00 H new ATOM 0 HA THR A 18 -9.143 -8.508 -7.897 1.00 0.00 H new ATOM 0 HB THR A 18 -9.549 -11.242 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.551 -11.960 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.933 -11.737 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.613 -10.402 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.738 -10.057 -9.148 1.00 0.00 H new ATOM 250 N ALA A 19 -11.065 -7.617 -6.610 1.00 0.00 N ATOM 251 CA ALA A 19 -12.218 -7.082 -5.898 1.00 0.00 C ATOM 252 C ALA A 19 -13.518 -7.671 -6.436 1.00 0.00 C ATOM 253 O ALA A 19 -13.871 -7.459 -7.596 1.00 0.00 O ATOM 254 CB ALA A 19 -12.243 -5.564 -5.999 1.00 0.00 C ATOM 0 H ALA A 19 -10.804 -7.092 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.129 -7.364 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.110 -5.178 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.333 -5.155 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.304 -5.270 -7.047 1.00 0.00 H new ATOM 260 N GLN A 20 -14.223 -8.410 -5.587 1.00 0.00 N ATOM 261 CA GLN A 20 -15.483 -9.031 -5.979 1.00 0.00 C ATOM 262 C GLN A 20 -16.589 -7.988 -6.100 1.00 0.00 C ATOM 263 O GLN A 20 -17.338 -7.973 -7.076 1.00 0.00 O ATOM 264 CB GLN A 20 -15.886 -10.102 -4.964 1.00 0.00 C ATOM 265 CG GLN A 20 -14.905 -11.261 -4.882 1.00 0.00 C ATOM 266 CD GLN A 20 -14.889 -12.102 -6.143 1.00 0.00 C ATOM 267 OE1 GLN A 20 -15.579 -13.118 -6.235 1.00 0.00 O ATOM 268 NE2 GLN A 20 -14.098 -11.683 -7.124 1.00 0.00 N ATOM 0 H GLN A 20 -13.944 -8.594 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.341 -9.499 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.976 -9.643 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.871 -10.488 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.904 -10.872 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.164 -11.892 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.543 -10.835 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.045 -12.209 -7.996 1.00 0.00 H new ATOM 277 N ASN A 21 -16.686 -7.116 -5.101 1.00 0.00 N ATOM 278 CA ASN A 21 -17.701 -6.069 -5.096 1.00 0.00 C ATOM 279 C ASN A 21 -17.234 -4.853 -5.890 1.00 0.00 C ATOM 280 O ASN A 21 -16.039 -4.584 -6.014 1.00 0.00 O ATOM 281 CB ASN A 21 -18.032 -5.658 -3.660 1.00 0.00 C ATOM 282 CG ASN A 21 -17.996 -6.832 -2.700 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.984 -7.548 -2.540 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.853 -7.033 -2.054 1.00 0.00 N ATOM 0 H ASN A 21 -16.074 -7.114 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.599 -6.466 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.322 -4.900 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.021 -5.201 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.769 -7.806 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.059 -6.414 -2.218 1.00 0.00 H new ATOM 291 N PRO A 22 -18.197 -4.100 -6.440 1.00 0.00 N ATOM 292 CA PRO A 22 -17.909 -2.899 -7.230 1.00 0.00 C ATOM 293 C PRO A 22 -17.368 -1.758 -6.375 1.00 0.00 C ATOM 294 O PRO A 22 -16.711 -0.849 -6.881 1.00 0.00 O ATOM 295 CB PRO A 22 -19.271 -2.527 -7.820 1.00 0.00 C ATOM 296 CG PRO A 22 -20.265 -3.103 -6.871 1.00 0.00 C ATOM 297 CD PRO A 22 -19.642 -4.361 -6.332 1.00 0.00 C ATOM 0 HA PRO A 22 -17.140 -3.080 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.384 -1.446 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.395 -2.939 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.488 -2.402 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.207 -3.319 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.941 -4.547 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.937 -5.236 -6.912 1.00 0.00 H new ATOM 305 N ASP A 23 -17.650 -1.813 -5.078 1.00 0.00 N ATOM 306 CA ASP A 23 -17.191 -0.784 -4.152 1.00 0.00 C ATOM 307 C ASP A 23 -15.683 -0.877 -3.941 1.00 0.00 C ATOM 308 O ASP A 23 -15.010 0.136 -3.750 1.00 0.00 O ATOM 309 CB ASP A 23 -17.915 -0.915 -2.811 1.00 0.00 C ATOM 310 CG ASP A 23 -19.335 -0.389 -2.866 1.00 0.00 C ATOM 311 OD1 ASP A 23 -19.533 0.732 -3.380 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.250 -1.097 -2.395 1.00 0.00 O ATOM 0 H ASP A 23 -18.194 -2.559 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.420 0.189 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.930 -1.963 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.359 -0.372 -2.047 1.00 0.00 H new ATOM 317 N GLU A 24 -15.159 -2.098 -3.977 1.00 0.00 N ATOM 318 CA GLU A 24 -13.731 -2.322 -3.788 1.00 0.00 C ATOM 319 C GLU A 24 -12.957 -2.005 -5.064 1.00 0.00 C ATOM 320 O GLU A 24 -13.547 -1.749 -6.114 1.00 0.00 O ATOM 321 CB GLU A 24 -13.470 -3.770 -3.366 1.00 0.00 C ATOM 322 CG GLU A 24 -13.818 -4.053 -1.915 1.00 0.00 C ATOM 323 CD GLU A 24 -13.446 -5.460 -1.489 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.351 -6.341 -2.369 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.249 -5.680 -0.276 1.00 0.00 O ATOM 0 H GLU A 24 -15.702 -2.947 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.386 -1.654 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.049 -4.436 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.418 -4.004 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.303 -3.336 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.887 -3.903 -1.766 1.00 0.00 H new ATOM 332 N LEU A 25 -11.632 -2.024 -4.966 1.00 0.00 N ATOM 333 CA LEU A 25 -10.775 -1.739 -6.112 1.00 0.00 C ATOM 334 C LEU A 25 -9.721 -2.827 -6.287 1.00 0.00 C ATOM 335 O LEU A 25 -9.107 -3.273 -5.318 1.00 0.00 O ATOM 336 CB LEU A 25 -10.097 -0.378 -5.940 1.00 0.00 C ATOM 337 CG LEU A 25 -10.886 0.832 -6.441 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.186 2.124 -6.049 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.071 0.760 -7.950 1.00 0.00 C ATOM 0 H LEU A 25 -11.128 -2.234 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.399 -1.717 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.881 -0.233 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.139 -0.403 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.871 0.820 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.762 2.975 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.105 2.179 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.189 2.145 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.635 1.629 -8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.095 0.748 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.616 -0.149 -8.207 1.00 0.00 H new ATOM 351 N ASP A 26 -9.514 -3.247 -7.531 1.00 0.00 N ATOM 352 CA ASP A 26 -8.531 -4.280 -7.834 1.00 0.00 C ATOM 353 C ASP A 26 -7.128 -3.687 -7.923 1.00 0.00 C ATOM 354 O ASP A 26 -6.807 -2.962 -8.866 1.00 0.00 O ATOM 355 CB ASP A 26 -8.885 -4.981 -9.147 1.00 0.00 C ATOM 356 CG ASP A 26 -9.353 -4.011 -10.214 1.00 0.00 C ATOM 357 OD1 ASP A 26 -8.646 -3.010 -10.455 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.426 -4.252 -10.806 1.00 0.00 O ATOM 0 H ASP A 26 -10.014 -2.888 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.547 -5.010 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.013 -5.525 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.666 -5.718 -8.963 1.00 0.00 H new ATOM 363 N LEU A 27 -6.296 -3.998 -6.935 1.00 0.00 N ATOM 364 CA LEU A 27 -4.928 -3.494 -6.900 1.00 0.00 C ATOM 365 C LEU A 27 -4.056 -4.216 -7.922 1.00 0.00 C ATOM 366 O LEU A 27 -4.460 -5.230 -8.491 1.00 0.00 O ATOM 367 CB LEU A 27 -4.337 -3.663 -5.499 1.00 0.00 C ATOM 368 CG LEU A 27 -4.867 -2.709 -4.428 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.449 -3.177 -3.043 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.375 -1.292 -4.685 1.00 0.00 C ATOM 0 H LEU A 27 -6.545 -4.597 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.951 -2.434 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.521 -4.686 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.256 -3.539 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.956 -2.708 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.835 -2.486 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.851 -4.173 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.361 -3.208 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.762 -0.627 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.285 -1.276 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.725 -0.957 -5.661 1.00 0.00 H new ATOM 382 N SER A 28 -2.857 -3.688 -8.148 1.00 0.00 N ATOM 383 CA SER A 28 -1.928 -4.281 -9.103 1.00 0.00 C ATOM 384 C SER A 28 -0.509 -3.774 -8.867 1.00 0.00 C ATOM 385 O SER A 28 -0.201 -2.612 -9.133 1.00 0.00 O ATOM 386 CB SER A 28 -2.364 -3.965 -10.535 1.00 0.00 C ATOM 387 OG SER A 28 -1.330 -4.258 -11.459 1.00 0.00 O ATOM 0 H SER A 28 -2.506 -2.851 -7.683 1.00 0.00 H new ATOM 0 HA SER A 28 -1.938 -5.361 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.253 -4.544 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.637 -2.913 -10.612 1.00 0.00 H new ATOM 0 HG SER A 28 -1.634 -4.049 -12.367 1.00 0.00 H new ATOM 393 N ALA A 29 0.352 -4.654 -8.365 1.00 0.00 N ATOM 394 CA ALA A 29 1.739 -4.297 -8.095 1.00 0.00 C ATOM 395 C ALA A 29 2.265 -3.313 -9.135 1.00 0.00 C ATOM 396 O ALA A 29 2.433 -3.661 -10.303 1.00 0.00 O ATOM 397 CB ALA A 29 2.608 -5.545 -8.059 1.00 0.00 C ATOM 0 H ALA A 29 0.113 -5.619 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 29 1.780 -3.811 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.641 -5.263 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.253 -6.213 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.553 -6.055 -9.021 1.00 0.00 H new ATOM 403 N GLY A 30 2.523 -2.083 -8.702 1.00 0.00 N ATOM 404 CA GLY A 30 3.027 -1.068 -9.608 1.00 0.00 C ATOM 405 C GLY A 30 2.126 0.149 -9.674 1.00 0.00 C ATOM 406 O GLY A 30 2.604 1.284 -9.679 1.00 0.00 O ATOM 0 H GLY A 30 2.392 -1.771 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.023 -0.762 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.130 -1.495 -10.606 1.00 0.00 H new ATOM 410 N ASP A 31 0.820 -0.086 -9.727 1.00 0.00 N ATOM 411 CA ASP A 31 -0.150 1.001 -9.794 1.00 0.00 C ATOM 412 C ASP A 31 0.022 1.956 -8.616 1.00 0.00 C ATOM 413 O ASP A 31 0.094 1.529 -7.464 1.00 0.00 O ATOM 414 CB ASP A 31 -1.574 0.442 -9.809 1.00 0.00 C ATOM 415 CG ASP A 31 -1.965 -0.107 -11.167 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.059 -0.490 -11.936 1.00 0.00 O ATOM 417 OD2 ASP A 31 -3.178 -0.153 -11.460 1.00 0.00 O ATOM 0 H ASP A 31 0.408 -1.019 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 31 0.025 1.555 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.659 -0.348 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.273 1.228 -9.523 1.00 0.00 H new ATOM 422 N ILE A 32 0.088 3.249 -8.915 1.00 0.00 N ATOM 423 CA ILE A 32 0.251 4.264 -7.881 1.00 0.00 C ATOM 424 C ILE A 32 -1.100 4.791 -7.410 1.00 0.00 C ATOM 425 O ILE A 32 -1.887 5.309 -8.202 1.00 0.00 O ATOM 426 CB ILE A 32 1.104 5.445 -8.382 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.488 4.957 -8.813 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.224 6.508 -7.300 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.035 3.846 -7.943 1.00 0.00 C ATOM 0 H ILE A 32 0.031 3.618 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 32 0.762 3.785 -7.046 1.00 0.00 H new ATOM 0 HB ILE A 32 0.611 5.889 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.436 4.608 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.182 5.797 -8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.829 7.336 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.231 6.873 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.697 6.077 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.019 3.550 -8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.119 4.197 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.362 2.990 -7.980 1.00 0.00 H new ATOM 441 N LEU A 33 -1.361 4.656 -6.114 1.00 0.00 N ATOM 442 CA LEU A 33 -2.617 5.120 -5.535 1.00 0.00 C ATOM 443 C LEU A 33 -2.361 6.023 -4.332 1.00 0.00 C ATOM 444 O LEU A 33 -1.293 5.972 -3.723 1.00 0.00 O ATOM 445 CB LEU A 33 -3.480 3.928 -5.117 1.00 0.00 C ATOM 446 CG LEU A 33 -3.901 2.978 -6.240 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.811 1.950 -6.505 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.213 2.290 -5.892 1.00 0.00 C ATOM 0 H LEU A 33 -0.720 4.229 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.147 5.696 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.934 3.354 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.380 4.308 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.050 3.562 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.127 1.283 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.893 2.460 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.630 1.370 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.497 1.618 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.091 1.718 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.991 3.040 -5.753 1.00 0.00 H new ATOM 460 N GLU A 34 -3.349 6.846 -3.996 1.00 0.00 N ATOM 461 CA GLU A 34 -3.231 7.759 -2.865 1.00 0.00 C ATOM 462 C GLU A 34 -4.203 7.376 -1.753 1.00 0.00 C ATOM 463 O GLU A 34 -5.409 7.272 -1.975 1.00 0.00 O ATOM 464 CB GLU A 34 -3.492 9.198 -3.313 1.00 0.00 C ATOM 465 CG GLU A 34 -2.832 10.241 -2.428 1.00 0.00 C ATOM 466 CD GLU A 34 -3.684 10.615 -1.231 1.00 0.00 C ATOM 467 OE1 GLU A 34 -4.800 11.136 -1.436 1.00 0.00 O ATOM 468 OE2 GLU A 34 -3.235 10.386 -0.088 1.00 0.00 O ATOM 0 H GLU A 34 -4.240 6.899 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.215 7.686 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.134 9.322 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.567 9.375 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.871 9.862 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.628 11.135 -3.017 1.00 0.00 H new ATOM 475 N VAL A 35 -3.668 7.166 -0.554 1.00 0.00 N ATOM 476 CA VAL A 35 -4.487 6.796 0.594 1.00 0.00 C ATOM 477 C VAL A 35 -5.120 8.024 1.237 1.00 0.00 C ATOM 478 O VAL A 35 -4.440 9.013 1.514 1.00 0.00 O ATOM 479 CB VAL A 35 -3.660 6.044 1.654 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.471 6.882 2.098 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.532 5.670 2.843 1.00 0.00 C ATOM 0 H VAL A 35 -2.671 7.246 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.273 6.138 0.223 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.280 5.125 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.899 6.334 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.835 7.094 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.826 7.819 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.932 5.139 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.943 6.574 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.347 5.028 2.509 1.00 0.00 H new ATOM 491 N ILE A 36 -6.426 7.955 1.474 1.00 0.00 N ATOM 492 CA ILE A 36 -7.151 9.062 2.086 1.00 0.00 C ATOM 493 C ILE A 36 -7.310 8.850 3.588 1.00 0.00 C ATOM 494 O ILE A 36 -7.108 9.771 4.381 1.00 0.00 O ATOM 495 CB ILE A 36 -8.543 9.241 1.453 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.420 9.423 -0.061 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.259 10.429 2.078 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.325 10.385 -0.467 1.00 0.00 C ATOM 0 H ILE A 36 -7.004 7.144 1.251 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.563 9.962 1.909 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.131 8.344 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.230 8.453 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.371 9.781 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.242 10.543 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.374 10.262 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.674 11.334 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.295 10.465 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.524 11.366 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.365 10.018 -0.104 1.00 0.00 H new ATOM 510 N LEU A 37 -7.673 7.631 3.972 1.00 0.00 N ATOM 511 CA LEU A 37 -7.858 7.297 5.380 1.00 0.00 C ATOM 512 C LEU A 37 -7.304 5.909 5.688 1.00 0.00 C ATOM 513 O LEU A 37 -7.547 4.957 4.948 1.00 0.00 O ATOM 514 CB LEU A 37 -9.341 7.360 5.749 1.00 0.00 C ATOM 515 CG LEU A 37 -9.672 7.192 7.232 1.00 0.00 C ATOM 516 CD1 LEU A 37 -11.002 7.853 7.561 1.00 0.00 C ATOM 517 CD2 LEU A 37 -9.700 5.718 7.609 1.00 0.00 C ATOM 0 H LEU A 37 -7.845 6.858 3.329 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.310 8.027 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.737 8.319 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.867 6.586 5.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.892 7.681 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.221 7.723 8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.947 8.917 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.793 7.394 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.937 5.618 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.458 5.205 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.724 5.273 7.412 1.00 0.00 H new ATOM 529 N GLU A 38 -6.562 5.804 6.785 1.00 0.00 N ATOM 530 CA GLU A 38 -5.975 4.532 7.191 1.00 0.00 C ATOM 531 C GLU A 38 -6.903 3.784 8.144 1.00 0.00 C ATOM 532 O GLU A 38 -7.298 4.311 9.183 1.00 0.00 O ATOM 533 CB GLU A 38 -4.617 4.761 7.858 1.00 0.00 C ATOM 534 CG GLU A 38 -3.535 5.216 6.894 1.00 0.00 C ATOM 535 CD GLU A 38 -3.536 6.718 6.683 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.543 7.459 7.687 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.529 7.151 5.511 1.00 0.00 O ATOM 0 H GLU A 38 -6.353 6.584 7.409 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.834 3.924 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.729 5.508 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.298 3.837 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.561 4.907 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.675 4.718 5.935 1.00 0.00 H new ATOM 544 N GLY A 39 -7.247 2.552 7.781 1.00 0.00 N ATOM 545 CA GLY A 39 -8.126 1.752 8.613 1.00 0.00 C ATOM 546 C GLY A 39 -7.371 0.965 9.665 1.00 0.00 C ATOM 547 O GLY A 39 -6.253 0.511 9.425 1.00 0.00 O ATOM 0 H GLY A 39 -6.932 2.094 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.851 2.403 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.690 1.063 7.984 1.00 0.00 H new ATOM 551 N GLU A 40 -7.982 0.806 10.835 1.00 0.00 N ATOM 552 CA GLU A 40 -7.357 0.070 11.928 1.00 0.00 C ATOM 553 C GLU A 40 -7.456 -1.435 11.698 1.00 0.00 C ATOM 554 O GLU A 40 -6.497 -2.173 11.924 1.00 0.00 O ATOM 555 CB GLU A 40 -8.014 0.438 13.260 1.00 0.00 C ATOM 556 CG GLU A 40 -7.537 1.763 13.829 1.00 0.00 C ATOM 557 CD GLU A 40 -8.079 2.031 15.220 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.181 1.531 15.532 1.00 0.00 O ATOM 559 OE2 GLU A 40 -7.404 2.739 15.995 1.00 0.00 O ATOM 0 H GLU A 40 -8.908 1.176 11.050 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.303 0.346 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.095 0.479 13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.814 -0.352 13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.447 1.769 13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.841 2.570 13.163 1.00 0.00 H new ATOM 566 N ASP A 41 -8.623 -1.883 11.248 1.00 0.00 N ATOM 567 CA ASP A 41 -8.848 -3.300 10.987 1.00 0.00 C ATOM 568 C ASP A 41 -7.958 -3.791 9.850 1.00 0.00 C ATOM 569 O ASP A 41 -7.422 -4.897 9.901 1.00 0.00 O ATOM 570 CB ASP A 41 -10.318 -3.550 10.644 1.00 0.00 C ATOM 571 CG ASP A 41 -10.531 -4.877 9.943 1.00 0.00 C ATOM 572 OD1 ASP A 41 -9.794 -5.836 10.250 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.437 -4.956 9.087 1.00 0.00 O ATOM 0 H ASP A 41 -9.427 -1.286 11.056 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.594 -3.855 11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.911 -3.526 11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.682 -2.744 10.007 1.00 0.00 H new ATOM 578 N GLY A 42 -7.806 -2.960 8.823 1.00 0.00 N ATOM 579 CA GLY A 42 -6.980 -3.328 7.687 1.00 0.00 C ATOM 580 C GLY A 42 -7.465 -2.707 6.393 1.00 0.00 C ATOM 581 O GLY A 42 -6.687 -2.517 5.458 1.00 0.00 O ATOM 0 H GLY A 42 -8.240 -2.039 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.952 -3.017 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.971 -4.413 7.585 1.00 0.00 H new ATOM 585 N TRP A 43 -8.753 -2.390 6.336 1.00 0.00 N ATOM 586 CA TRP A 43 -9.341 -1.788 5.145 1.00 0.00 C ATOM 587 C TRP A 43 -8.849 -0.357 4.960 1.00 0.00 C ATOM 588 O TRP A 43 -9.222 0.541 5.715 1.00 0.00 O ATOM 589 CB TRP A 43 -10.868 -1.807 5.239 1.00 0.00 C ATOM 590 CG TRP A 43 -11.465 -3.149 4.940 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.293 -3.875 5.746 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.277 -3.924 3.751 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.632 -5.056 5.130 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.022 -5.109 3.905 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.554 -3.732 2.571 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.062 -6.096 2.924 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.594 -4.712 1.598 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.345 -5.881 1.778 1.00 0.00 C ATOM 0 H TRP A 43 -9.411 -2.540 7.101 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.030 -2.375 4.280 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.167 -1.499 6.241 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.277 -1.073 4.545 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.632 -3.567 6.724 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.239 -5.776 5.522 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.974 -2.833 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.638 -6.999 3.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.037 -4.575 0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.358 -6.627 0.997 1.00 0.00 H new ATOM 609 N TRP A 44 -8.010 -0.151 3.951 1.00 0.00 N ATOM 610 CA TRP A 44 -7.466 1.173 3.667 1.00 0.00 C ATOM 611 C TRP A 44 -8.182 1.812 2.482 1.00 0.00 C ATOM 612 O TRP A 44 -8.460 1.150 1.481 1.00 0.00 O ATOM 613 CB TRP A 44 -5.966 1.081 3.384 1.00 0.00 C ATOM 614 CG TRP A 44 -5.130 1.026 4.627 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.401 0.324 5.767 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.888 1.701 4.855 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.402 0.522 6.689 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.462 1.362 6.154 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.094 2.557 4.088 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.279 1.851 6.700 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.920 3.042 4.631 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.520 2.688 5.927 1.00 0.00 C ATOM 0 H TRP A 44 -7.692 -0.883 3.316 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.624 1.800 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.771 0.193 2.783 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.662 1.942 2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.272 -0.295 5.921 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.366 0.110 7.621 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.393 2.835 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.970 1.580 7.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.300 3.705 4.047 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.596 3.083 6.323 1.00 0.00 H new ATOM 633 N THR A 45 -8.477 3.102 2.600 1.00 0.00 N ATOM 634 CA THR A 45 -9.161 3.830 1.538 1.00 0.00 C ATOM 635 C THR A 45 -8.166 4.559 0.643 1.00 0.00 C ATOM 636 O THR A 45 -7.381 5.383 1.112 1.00 0.00 O ATOM 637 CB THR A 45 -10.162 4.851 2.111 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.138 4.181 2.917 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.857 5.614 0.994 1.00 0.00 C ATOM 0 H THR A 45 -8.253 3.665 3.421 1.00 0.00 H new ATOM 0 HA THR A 45 -9.704 3.092 0.948 1.00 0.00 H new ATOM 0 HB THR A 45 -9.610 5.562 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.729 3.652 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.559 6.329 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.114 6.147 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.397 4.914 0.356 1.00 0.00 H new ATOM 647 N VAL A 46 -8.205 4.251 -0.650 1.00 0.00 N ATOM 648 CA VAL A 46 -7.307 4.879 -1.613 1.00 0.00 C ATOM 649 C VAL A 46 -8.069 5.358 -2.843 1.00 0.00 C ATOM 650 O VAL A 46 -9.080 4.770 -3.227 1.00 0.00 O ATOM 651 CB VAL A 46 -6.194 3.911 -2.056 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.253 3.614 -0.899 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.794 2.628 -2.609 1.00 0.00 C ATOM 0 H VAL A 46 -8.848 3.571 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.855 5.736 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.617 4.386 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.473 2.928 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.797 4.542 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.813 3.158 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.994 1.955 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.396 2.146 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.423 2.861 -3.468 1.00 0.00 H new ATOM 663 N GLU A 47 -7.576 6.429 -3.458 1.00 0.00 N ATOM 664 CA GLU A 47 -8.212 6.986 -4.646 1.00 0.00 C ATOM 665 C GLU A 47 -7.454 6.584 -5.908 1.00 0.00 C ATOM 666 O GLU A 47 -6.224 6.619 -5.944 1.00 0.00 O ATOM 667 CB GLU A 47 -8.283 8.512 -4.545 1.00 0.00 C ATOM 668 CG GLU A 47 -9.457 9.117 -5.295 1.00 0.00 C ATOM 669 CD GLU A 47 -9.426 10.633 -5.301 1.00 0.00 C ATOM 670 OE1 GLU A 47 -8.587 11.207 -6.026 1.00 0.00 O ATOM 671 OE2 GLU A 47 -10.242 11.246 -4.581 1.00 0.00 O ATOM 0 H GLU A 47 -6.740 6.927 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.224 6.585 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.349 8.796 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.357 8.937 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.453 8.753 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.388 8.778 -4.840 1.00 0.00 H new ATOM 678 N ARG A 48 -8.198 6.201 -6.941 1.00 0.00 N ATOM 679 CA ARG A 48 -7.597 5.790 -8.204 1.00 0.00 C ATOM 680 C ARG A 48 -8.290 6.469 -9.382 1.00 0.00 C ATOM 681 O ARG A 48 -9.408 6.110 -9.748 1.00 0.00 O ATOM 682 CB ARG A 48 -7.676 4.270 -8.360 1.00 0.00 C ATOM 683 CG ARG A 48 -6.548 3.684 -9.193 1.00 0.00 C ATOM 684 CD ARG A 48 -6.631 2.167 -9.255 1.00 0.00 C ATOM 685 NE ARG A 48 -7.756 1.713 -10.069 1.00 0.00 N ATOM 686 CZ ARG A 48 -7.736 1.681 -11.397 1.00 0.00 C ATOM 687 NH1 ARG A 48 -6.655 2.073 -12.057 1.00 0.00 N ATOM 688 NH2 ARG A 48 -8.799 1.255 -12.067 1.00 0.00 N ATOM 0 H ARG A 48 -9.217 6.167 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.550 6.094 -8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.663 3.811 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.629 4.009 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.589 4.093 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.589 3.980 -8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.703 1.770 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.730 1.768 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.603 1.404 -9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.836 2.400 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.643 2.047 -13.077 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.632 0.952 -11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.783 1.231 -13.087 1.00 0.00 H new ATOM 702 N ASN A 49 -7.617 7.453 -9.970 1.00 0.00 N ATOM 703 CA ASN A 49 -8.168 8.184 -11.105 1.00 0.00 C ATOM 704 C ASN A 49 -9.617 8.583 -10.844 1.00 0.00 C ATOM 705 O ASN A 49 -10.459 8.526 -11.739 1.00 0.00 O ATOM 706 CB ASN A 49 -8.082 7.335 -12.375 1.00 0.00 C ATOM 707 CG ASN A 49 -8.655 5.944 -12.180 1.00 0.00 C ATOM 708 OD1 ASN A 49 -9.872 5.759 -12.163 1.00 0.00 O ATOM 709 ND2 ASN A 49 -7.777 4.959 -12.033 1.00 0.00 N ATOM 0 H ASN A 49 -6.690 7.762 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.579 9.091 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.618 7.836 -13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.040 7.256 -12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.102 4.002 -11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.777 5.160 -12.054 1.00 0.00 H new ATOM 716 N GLY A 50 -9.900 8.988 -9.609 1.00 0.00 N ATOM 717 CA GLY A 50 -11.248 9.392 -9.252 1.00 0.00 C ATOM 718 C GLY A 50 -12.050 8.259 -8.642 1.00 0.00 C ATOM 719 O GLY A 50 -12.934 8.490 -7.818 1.00 0.00 O ATOM 0 H GLY A 50 -9.221 9.043 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.201 10.221 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.761 9.759 -10.141 1.00 0.00 H new ATOM 723 N GLN A 51 -11.741 7.032 -9.050 1.00 0.00 N ATOM 724 CA GLN A 51 -12.442 5.859 -8.539 1.00 0.00 C ATOM 725 C GLN A 51 -12.005 5.542 -7.113 1.00 0.00 C ATOM 726 O GLN A 51 -10.814 5.404 -6.834 1.00 0.00 O ATOM 727 CB GLN A 51 -12.187 4.653 -9.444 1.00 0.00 C ATOM 728 CG GLN A 51 -12.661 4.853 -10.874 1.00 0.00 C ATOM 729 CD GLN A 51 -11.938 3.956 -11.860 1.00 0.00 C ATOM 730 OE1 GLN A 51 -11.018 3.225 -11.492 1.00 0.00 O ATOM 731 NE2 GLN A 51 -12.352 4.008 -13.120 1.00 0.00 N ATOM 0 H GLN A 51 -11.011 6.824 -9.732 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.510 6.079 -8.531 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.119 4.435 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.688 3.781 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.732 4.657 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.512 5.894 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.118 4.629 -13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.904 3.427 -13.829 1.00 0.00 H new ATOM 740 N ARG A 52 -12.977 5.428 -6.213 1.00 0.00 N ATOM 741 CA ARG A 52 -12.692 5.129 -4.815 1.00 0.00 C ATOM 742 C ARG A 52 -12.923 3.650 -4.518 1.00 0.00 C ATOM 743 O ARG A 52 -13.759 3.003 -5.146 1.00 0.00 O ATOM 744 CB ARG A 52 -13.567 5.987 -3.899 1.00 0.00 C ATOM 745 CG ARG A 52 -12.977 6.197 -2.514 1.00 0.00 C ATOM 746 CD ARG A 52 -13.781 7.209 -1.713 1.00 0.00 C ATOM 747 NE ARG A 52 -14.977 6.613 -1.123 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.800 7.268 -0.312 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.559 8.533 0.003 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.868 6.658 0.186 1.00 0.00 N ATOM 0 H ARG A 52 -13.968 5.538 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.644 5.361 -4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.726 6.958 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.545 5.517 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.951 5.247 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.946 6.540 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.156 7.625 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.070 8.037 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.192 5.641 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.740 9.006 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.193 9.033 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.058 5.685 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.499 7.162 0.809 1.00 0.00 H new ATOM 764 N GLY A 53 -12.174 3.122 -3.555 1.00 0.00 N ATOM 765 CA GLY A 53 -12.311 1.723 -3.191 1.00 0.00 C ATOM 766 C GLY A 53 -11.669 1.406 -1.855 1.00 0.00 C ATOM 767 O GLY A 53 -11.154 2.296 -1.178 1.00 0.00 O ATOM 0 H GLY A 53 -11.475 3.637 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.369 1.463 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.858 1.103 -3.965 1.00 0.00 H new ATOM 771 N PHE A 54 -11.701 0.133 -1.473 1.00 0.00 N ATOM 772 CA PHE A 54 -11.120 -0.299 -0.207 1.00 0.00 C ATOM 773 C PHE A 54 -10.213 -1.510 -0.411 1.00 0.00 C ATOM 774 O PHE A 54 -10.634 -2.531 -0.954 1.00 0.00 O ATOM 775 CB PHE A 54 -12.225 -0.638 0.796 1.00 0.00 C ATOM 776 CG PHE A 54 -13.199 0.483 1.016 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.917 1.497 1.918 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.397 0.525 0.321 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.812 2.530 2.123 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.296 1.555 0.521 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.003 2.560 1.422 1.00 0.00 C ATOM 0 H PHE A 54 -12.123 -0.616 -2.022 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.520 0.521 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.767 -1.516 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.770 -0.905 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.987 1.480 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.631 -0.257 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.581 3.313 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.227 1.574 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.703 3.368 1.578 1.00 0.00 H new ATOM 791 N VAL A 55 -8.965 -1.387 0.030 1.00 0.00 N ATOM 792 CA VAL A 55 -7.998 -2.470 -0.103 1.00 0.00 C ATOM 793 C VAL A 55 -7.184 -2.639 1.175 1.00 0.00 C ATOM 794 O VAL A 55 -6.900 -1.679 1.891 1.00 0.00 O ATOM 795 CB VAL A 55 -7.038 -2.224 -1.282 1.00 0.00 C ATOM 796 CG1 VAL A 55 -7.819 -1.987 -2.565 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.117 -1.051 -0.983 1.00 0.00 C ATOM 0 H VAL A 55 -8.600 -0.549 0.482 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.566 -3.381 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.422 -3.113 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.124 -1.815 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.432 -2.861 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.461 -1.115 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.446 -0.891 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.713 -0.153 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.532 -1.267 -0.089 1.00 0.00 H new ATOM 807 N PRO A 56 -6.797 -3.889 1.470 1.00 0.00 N ATOM 808 CA PRO A 56 -6.008 -4.214 2.662 1.00 0.00 C ATOM 809 C PRO A 56 -4.579 -3.688 2.572 1.00 0.00 C ATOM 810 O PRO A 56 -3.903 -3.869 1.561 1.00 0.00 O ATOM 811 CB PRO A 56 -6.014 -5.744 2.685 1.00 0.00 C ATOM 812 CG PRO A 56 -6.223 -6.144 1.266 1.00 0.00 C ATOM 813 CD PRO A 56 -7.099 -5.082 0.661 1.00 0.00 C ATOM 0 HA PRO A 56 -6.422 -3.759 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.074 -6.138 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.809 -6.127 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.273 -6.214 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.697 -7.124 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.868 -4.922 -0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.154 -5.350 0.719 1.00 0.00 H new ATOM 821 N GLY A 57 -4.125 -3.037 3.639 1.00 0.00 N ATOM 822 CA GLY A 57 -2.779 -2.495 3.660 1.00 0.00 C ATOM 823 C GLY A 57 -1.733 -3.527 3.286 1.00 0.00 C ATOM 824 O GLY A 57 -0.751 -3.210 2.616 1.00 0.00 O ATOM 0 H GLY A 57 -4.665 -2.875 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.718 -1.654 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.562 -2.107 4.655 1.00 0.00 H new ATOM 828 N SER A 58 -1.944 -4.765 3.721 1.00 0.00 N ATOM 829 CA SER A 58 -1.009 -5.846 3.432 1.00 0.00 C ATOM 830 C SER A 58 -0.632 -5.858 1.954 1.00 0.00 C ATOM 831 O SER A 58 0.471 -6.265 1.586 1.00 0.00 O ATOM 832 CB SER A 58 -1.617 -7.194 3.826 1.00 0.00 C ATOM 833 OG SER A 58 -1.977 -7.210 5.196 1.00 0.00 O ATOM 0 H SER A 58 -2.754 -5.044 4.275 1.00 0.00 H new ATOM 0 HA SER A 58 -0.105 -5.678 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.496 -7.393 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.902 -7.992 3.625 1.00 0.00 H new ATOM 0 HG SER A 58 -2.365 -8.081 5.422 1.00 0.00 H new ATOM 839 N TYR A 59 -1.555 -5.409 1.111 1.00 0.00 N ATOM 840 CA TYR A 59 -1.322 -5.370 -0.328 1.00 0.00 C ATOM 841 C TYR A 59 -0.945 -3.963 -0.781 1.00 0.00 C ATOM 842 O TYR A 59 -1.268 -3.548 -1.894 1.00 0.00 O ATOM 843 CB TYR A 59 -2.566 -5.844 -1.081 1.00 0.00 C ATOM 844 CG TYR A 59 -2.873 -7.311 -0.881 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.104 -7.826 0.388 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.933 -8.181 -1.963 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.384 -9.166 0.575 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.214 -9.522 -1.785 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.438 -10.010 -0.515 1.00 0.00 C ATOM 850 OH TYR A 59 -3.718 -11.345 -0.333 1.00 0.00 O ATOM 0 H TYR A 59 -2.472 -5.067 1.399 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.492 -6.040 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.423 -5.255 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.431 -5.651 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.064 -7.168 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.757 -7.803 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.560 -9.551 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.258 -10.185 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.720 -11.800 -1.201 1.00 0.00 H new ATOM 860 N LEU A 60 -0.257 -3.233 0.091 1.00 0.00 N ATOM 861 CA LEU A 60 0.166 -1.871 -0.218 1.00 0.00 C ATOM 862 C LEU A 60 1.583 -1.614 0.287 1.00 0.00 C ATOM 863 O LEU A 60 1.988 -2.143 1.321 1.00 0.00 O ATOM 864 CB LEU A 60 -0.800 -0.862 0.405 1.00 0.00 C ATOM 865 CG LEU A 60 -2.195 -0.798 -0.217 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.108 0.095 0.610 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.117 -0.298 -1.653 1.00 0.00 C ATOM 0 H LEU A 60 0.019 -3.561 1.016 1.00 0.00 H new ATOM 0 HA LEU A 60 0.158 -1.751 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.906 -1.097 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.350 0.129 0.342 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.614 -1.804 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.097 0.128 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.190 -0.305 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.693 1.102 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.119 -0.259 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.677 0.699 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.498 -0.976 -2.241 1.00 0.00 H new ATOM 879 N GLU A 61 2.329 -0.797 -0.450 1.00 0.00 N ATOM 880 CA GLU A 61 3.699 -0.469 -0.076 1.00 0.00 C ATOM 881 C GLU A 61 3.889 1.041 0.027 1.00 0.00 C ATOM 882 O GLU A 61 3.569 1.783 -0.902 1.00 0.00 O ATOM 883 CB GLU A 61 4.683 -1.050 -1.094 1.00 0.00 C ATOM 884 CG GLU A 61 6.139 -0.911 -0.682 1.00 0.00 C ATOM 885 CD GLU A 61 7.072 -1.726 -1.555 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.133 -1.457 -2.773 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.743 -2.634 -1.020 1.00 0.00 O ATOM 0 H GLU A 61 2.008 -0.351 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 61 3.896 -0.910 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.456 -2.105 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.537 -0.553 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.428 0.139 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.251 -1.226 0.356 1.00 0.00 H new ATOM 894 N LYS A 62 4.411 1.491 1.163 1.00 0.00 N ATOM 895 CA LYS A 62 4.644 2.912 1.389 1.00 0.00 C ATOM 896 C LYS A 62 5.889 3.384 0.646 1.00 0.00 C ATOM 897 O LYS A 62 7.013 3.203 1.118 1.00 0.00 O ATOM 898 CB LYS A 62 4.794 3.193 2.886 1.00 0.00 C ATOM 899 CG LYS A 62 4.495 4.633 3.267 1.00 0.00 C ATOM 900 CD LYS A 62 5.716 5.520 3.096 1.00 0.00 C ATOM 901 CE LYS A 62 5.326 6.984 2.955 1.00 0.00 C ATOM 902 NZ LYS A 62 6.520 7.872 2.884 1.00 0.00 N ATOM 0 H LYS A 62 4.681 0.891 1.942 1.00 0.00 H new ATOM 0 HA LYS A 62 3.784 3.461 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.126 2.533 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.811 2.948 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.680 5.012 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.157 4.674 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.378 5.400 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.276 5.205 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.723 7.114 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.705 7.278 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.363 8.713 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.356 7.358 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.676 8.166 1.899 1.00 0.00 H new ATOM 916 N LEU A 63 5.684 3.990 -0.519 1.00 0.00 N ATOM 917 CA LEU A 63 6.790 4.489 -1.327 1.00 0.00 C ATOM 918 C LEU A 63 7.585 5.547 -0.568 1.00 0.00 C ATOM 919 O LEU A 63 7.035 6.561 -0.139 1.00 0.00 O ATOM 920 CB LEU A 63 6.265 5.074 -2.640 1.00 0.00 C ATOM 921 CG LEU A 63 6.134 4.093 -3.806 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.136 4.612 -4.830 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.489 3.851 -4.454 1.00 0.00 C ATOM 0 H LEU A 63 4.761 4.147 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 63 7.452 3.652 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.287 5.517 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.928 5.884 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 63 5.765 3.144 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.056 3.901 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.161 4.733 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.476 5.574 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.377 3.151 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.887 4.794 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.176 3.435 -3.717 1.00 0.00 H new ATOM 935 N SER A 64 8.882 5.304 -0.408 1.00 0.00 N ATOM 936 CA SER A 64 9.753 6.235 0.300 1.00 0.00 C ATOM 937 C SER A 64 10.946 6.629 -0.566 1.00 0.00 C ATOM 938 O SER A 64 11.560 5.785 -1.217 1.00 0.00 O ATOM 939 CB SER A 64 10.241 5.613 1.609 1.00 0.00 C ATOM 940 OG SER A 64 11.038 4.467 1.364 1.00 0.00 O ATOM 0 H SER A 64 9.353 4.470 -0.759 1.00 0.00 H new ATOM 0 HA SER A 64 9.178 7.133 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.818 6.347 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.385 5.339 2.226 1.00 0.00 H new ATOM 0 HG SER A 64 11.339 4.089 2.217 1.00 0.00 H new ATOM 946 N GLY A 65 11.268 7.919 -0.567 1.00 0.00 N ATOM 947 CA GLY A 65 12.386 8.403 -1.355 1.00 0.00 C ATOM 948 C GLY A 65 13.489 8.991 -0.497 1.00 0.00 C ATOM 949 O GLY A 65 13.243 9.546 0.573 1.00 0.00 O ATOM 0 H GLY A 65 10.775 8.637 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.790 7.583 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.032 9.160 -2.055 1.00 0.00 H new ATOM 953 N PRO A 66 14.739 8.869 -0.969 1.00 0.00 N ATOM 954 CA PRO A 66 15.909 9.385 -0.253 1.00 0.00 C ATOM 955 C PRO A 66 15.956 10.910 -0.242 1.00 0.00 C ATOM 956 O PRO A 66 16.170 11.526 0.802 1.00 0.00 O ATOM 957 CB PRO A 66 17.089 8.820 -1.046 1.00 0.00 C ATOM 958 CG PRO A 66 16.551 8.595 -2.417 1.00 0.00 C ATOM 959 CD PRO A 66 15.106 8.219 -2.238 1.00 0.00 C ATOM 0 HA PRO A 66 15.905 9.093 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.927 9.517 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.453 7.891 -0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.648 9.493 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 66 17.100 7.803 -2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.492 8.577 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.975 7.138 -2.188 1.00 0.00 H new ATOM 967 N SER A 67 15.755 11.512 -1.410 1.00 0.00 N ATOM 968 CA SER A 67 15.778 12.964 -1.535 1.00 0.00 C ATOM 969 C SER A 67 15.111 13.624 -0.332 1.00 0.00 C ATOM 970 O SER A 67 13.936 13.384 -0.051 1.00 0.00 O ATOM 971 CB SER A 67 15.076 13.397 -2.824 1.00 0.00 C ATOM 972 OG SER A 67 13.702 13.053 -2.796 1.00 0.00 O ATOM 0 H SER A 67 15.574 11.016 -2.283 1.00 0.00 H new ATOM 0 HA SER A 67 16.819 13.285 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.182 14.474 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.556 12.923 -3.680 1.00 0.00 H new ATOM 0 HG SER A 67 13.417 12.921 -1.868 1.00 0.00 H new ATOM 978 N SER A 68 15.868 14.457 0.374 1.00 0.00 N ATOM 979 CA SER A 68 15.352 15.149 1.550 1.00 0.00 C ATOM 980 C SER A 68 14.774 16.508 1.169 1.00 0.00 C ATOM 981 O SER A 68 14.915 16.960 0.033 1.00 0.00 O ATOM 982 CB SER A 68 16.460 15.326 2.590 1.00 0.00 C ATOM 983 OG SER A 68 15.931 15.772 3.827 1.00 0.00 O ATOM 0 H SER A 68 16.841 14.669 0.153 1.00 0.00 H new ATOM 0 HA SER A 68 14.555 14.542 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.983 14.380 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.195 16.044 2.225 1.00 0.00 H new ATOM 0 HG SER A 68 16.658 15.876 4.475 1.00 0.00 H new ATOM 989 N GLY A 69 14.121 17.157 2.129 1.00 0.00 N ATOM 990 CA GLY A 69 13.531 18.458 1.876 1.00 0.00 C ATOM 991 C GLY A 69 12.697 18.952 3.041 1.00 0.00 C ATOM 992 O GLY A 69 12.630 20.154 3.300 1.00 0.00 O ATOM 0 H GLY A 69 13.990 16.804 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.322 19.178 1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.907 18.403 0.984 1.00 0.00 H new TER 996 GLY A 69