USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0268 (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 18:sc= 1.57 USER MOD Single : A 6 SER OG : rot 44:sc= 0.379 USER MOD Single : A 10 CYS SG : rot -28:sc= -1.19! USER MOD Single : A 11 GLN : amide:sc= -0.0345 K(o=-0.034,f=-0.55) USER MOD Single : A 15 SER OG : rot 180:sc= -3.25! USER MOD Single : A 16 TYR OH : rot -111:sc= -1.98 USER MOD Single : A 19 GLN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.654 K(o=-0.65,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.000567 X(o=-0.00057,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 83:sc= -4.03! USER MOD Single : A 53 MET CE :methyl 156:sc= -0.642 (180deg=-2.23!) USER MOD Single : A 56 SER OG : rot -180:sc= 0.0181 USER MOD Single : A 57 ASN : amide:sc= -0.0545 X(o=-0.054,f=-0.25) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.787 -22.045 -5.395 1.00 0.00 N ATOM 2 CA GLY A 1 -7.218 -21.717 -4.046 1.00 0.00 C ATOM 3 C GLY A 1 -8.590 -21.040 -4.059 1.00 0.00 C ATOM 4 O GLY A 1 -9.447 -21.379 -4.874 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.403 -23.012 -5.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.598 -21.983 -6.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.051 -21.375 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.262 -22.624 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.487 -21.058 -3.577 1.00 0.00 H new ATOM 8 N SER A 2 -8.756 -20.094 -3.146 1.00 0.00 N ATOM 9 CA SER A 2 -10.009 -19.366 -3.041 1.00 0.00 C ATOM 10 C SER A 2 -9.738 -17.910 -2.656 1.00 0.00 C ATOM 11 O SER A 2 -8.824 -17.629 -1.883 1.00 0.00 O ATOM 12 CB SER A 2 -10.943 -20.020 -2.020 1.00 0.00 C ATOM 13 OG SER A 2 -12.298 -20.020 -2.460 1.00 0.00 O ATOM 0 H SER A 2 -8.043 -19.815 -2.472 1.00 0.00 H new ATOM 0 HA SER A 2 -10.502 -19.393 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.621 -21.045 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.870 -19.490 -1.070 1.00 0.00 H new ATOM 0 HG SER A 2 -12.862 -20.447 -1.782 1.00 0.00 H new ATOM 19 N SER A 3 -10.551 -17.024 -3.212 1.00 0.00 N ATOM 20 CA SER A 3 -10.410 -15.604 -2.937 1.00 0.00 C ATOM 21 C SER A 3 -9.005 -15.133 -3.320 1.00 0.00 C ATOM 22 O SER A 3 -8.029 -15.481 -2.658 1.00 0.00 O ATOM 23 CB SER A 3 -10.689 -15.298 -1.464 1.00 0.00 C ATOM 24 OG SER A 3 -11.959 -15.794 -1.047 1.00 0.00 O ATOM 0 H SER A 3 -11.309 -17.262 -3.851 1.00 0.00 H new ATOM 0 HA SER A 3 -11.143 -15.065 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.907 -15.740 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.650 -14.221 -1.304 1.00 0.00 H new ATOM 0 HG SER A 3 -12.099 -15.580 -0.101 1.00 0.00 H new ATOM 30 N GLY A 4 -8.949 -14.349 -4.386 1.00 0.00 N ATOM 31 CA GLY A 4 -7.680 -13.828 -4.865 1.00 0.00 C ATOM 32 C GLY A 4 -7.455 -12.397 -4.373 1.00 0.00 C ATOM 33 O GLY A 4 -7.521 -11.449 -5.155 1.00 0.00 O ATOM 0 H GLY A 4 -9.762 -14.062 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.867 -14.467 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.662 -13.849 -5.955 1.00 0.00 H new ATOM 37 N SER A 5 -7.194 -12.284 -3.078 1.00 0.00 N ATOM 38 CA SER A 5 -6.959 -10.985 -2.472 1.00 0.00 C ATOM 39 C SER A 5 -8.063 -10.009 -2.882 1.00 0.00 C ATOM 40 O SER A 5 -7.910 -9.262 -3.848 1.00 0.00 O ATOM 41 CB SER A 5 -5.588 -10.432 -2.868 1.00 0.00 C ATOM 42 OG SER A 5 -5.514 -10.134 -4.260 1.00 0.00 O ATOM 0 H SER A 5 -7.140 -13.072 -2.432 1.00 0.00 H new ATOM 0 HA SER A 5 -6.973 -11.106 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.381 -9.530 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.816 -11.158 -2.611 1.00 0.00 H new ATOM 0 HG SER A 5 -6.420 -10.064 -4.628 1.00 0.00 H new ATOM 48 N SER A 6 -9.152 -10.046 -2.128 1.00 0.00 N ATOM 49 CA SER A 6 -10.281 -9.173 -2.401 1.00 0.00 C ATOM 50 C SER A 6 -10.470 -8.185 -1.248 1.00 0.00 C ATOM 51 O SER A 6 -11.067 -8.524 -0.227 1.00 0.00 O ATOM 52 CB SER A 6 -11.561 -9.982 -2.621 1.00 0.00 C ATOM 53 OG SER A 6 -11.806 -10.895 -1.555 1.00 0.00 O ATOM 0 H SER A 6 -9.276 -10.667 -1.328 1.00 0.00 H new ATOM 0 HA SER A 6 -10.071 -8.618 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.407 -9.302 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.485 -10.532 -3.559 1.00 0.00 H new ATOM 0 HG SER A 6 -11.649 -10.447 -0.698 1.00 0.00 H new ATOM 59 N GLY A 7 -9.950 -6.984 -1.450 1.00 0.00 N ATOM 60 CA GLY A 7 -10.054 -5.944 -0.440 1.00 0.00 C ATOM 61 C GLY A 7 -9.090 -6.207 0.719 1.00 0.00 C ATOM 62 O GLY A 7 -9.426 -6.926 1.659 1.00 0.00 O ATOM 0 H GLY A 7 -9.455 -6.707 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.835 -4.974 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.076 -5.898 -0.064 1.00 0.00 H new ATOM 66 N ARG A 8 -7.912 -5.611 0.613 1.00 0.00 N ATOM 67 CA ARG A 8 -6.897 -5.772 1.641 1.00 0.00 C ATOM 68 C ARG A 8 -6.417 -4.405 2.132 1.00 0.00 C ATOM 69 O ARG A 8 -6.450 -3.427 1.387 1.00 0.00 O ATOM 70 CB ARG A 8 -5.700 -6.565 1.113 1.00 0.00 C ATOM 71 CG ARG A 8 -5.867 -8.060 1.392 1.00 0.00 C ATOM 72 CD ARG A 8 -4.791 -8.562 2.357 1.00 0.00 C ATOM 73 NE ARG A 8 -5.392 -9.471 3.358 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.771 -9.876 4.474 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.527 -9.455 4.738 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.394 -10.701 5.326 1.00 0.00 N ATOM 0 H ARG A 8 -7.637 -5.016 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.347 -6.321 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.595 -6.401 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.785 -6.204 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.855 -8.247 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.810 -8.617 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.009 -9.083 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.318 -7.718 2.858 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.339 -9.811 3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.053 -8.826 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.054 -9.763 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.341 -11.021 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.921 -11.009 6.175 1.00 0.00 H new ATOM 90 N ARG A 9 -5.983 -4.380 3.384 1.00 0.00 N ATOM 91 CA ARG A 9 -5.498 -3.149 3.983 1.00 0.00 C ATOM 92 C ARG A 9 -4.118 -3.370 4.605 1.00 0.00 C ATOM 93 O ARG A 9 -3.845 -4.434 5.158 1.00 0.00 O ATOM 94 CB ARG A 9 -6.460 -2.644 5.060 1.00 0.00 C ATOM 95 CG ARG A 9 -7.463 -1.647 4.475 1.00 0.00 C ATOM 96 CD ARG A 9 -8.648 -1.443 5.421 1.00 0.00 C ATOM 97 NE ARG A 9 -9.320 -0.159 5.121 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.558 0.154 5.527 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.268 -0.723 6.251 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.088 1.343 5.208 1.00 0.00 N ATOM 0 H ARG A 9 -5.957 -5.193 4.000 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.429 -2.401 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.994 -3.486 5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.896 -2.169 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.969 -0.692 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.821 -2.009 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.355 -2.266 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.304 -1.450 6.455 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.809 0.531 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.866 -1.629 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.210 -0.485 6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.549 2.010 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.030 1.581 5.517 1.00 0.00 H new ATOM 114 N CYS A 10 -3.283 -2.346 4.495 1.00 0.00 N ATOM 115 CA CYS A 10 -1.938 -2.415 5.040 1.00 0.00 C ATOM 116 C CYS A 10 -1.519 -1.007 5.465 1.00 0.00 C ATOM 117 O CYS A 10 -1.936 -0.021 4.858 1.00 0.00 O ATOM 118 CB CYS A 10 -0.953 -3.026 4.040 1.00 0.00 C ATOM 119 SG CYS A 10 -1.699 -4.497 3.246 1.00 0.00 S ATOM 0 H CYS A 10 -3.513 -1.464 4.036 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.928 -3.074 5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.687 -2.289 3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.031 -3.306 4.550 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.562 -5.036 4.055 1.00 0.00 H new ATOM 125 N GLN A 11 -0.700 -0.956 6.505 1.00 0.00 N ATOM 126 CA GLN A 11 -0.220 0.315 7.019 1.00 0.00 C ATOM 127 C GLN A 11 1.195 0.594 6.508 1.00 0.00 C ATOM 128 O GLN A 11 1.959 -0.334 6.248 1.00 0.00 O ATOM 129 CB GLN A 11 -0.266 0.341 8.548 1.00 0.00 C ATOM 130 CG GLN A 11 -0.426 1.771 9.068 1.00 0.00 C ATOM 131 CD GLN A 11 -1.304 1.804 10.320 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.420 0.837 11.054 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.914 2.969 10.523 1.00 0.00 N ATOM 0 H GLN A 11 -0.356 -1.775 7.006 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.879 1.104 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.095 -0.273 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.648 -0.096 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.554 2.191 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.868 2.396 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.774 3.739 9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.522 3.092 11.333 1.00 0.00 H new ATOM 142 N VAL A 12 1.501 1.877 6.379 1.00 0.00 N ATOM 143 CA VAL A 12 2.810 2.290 5.904 1.00 0.00 C ATOM 144 C VAL A 12 3.716 2.578 7.103 1.00 0.00 C ATOM 145 O VAL A 12 3.293 3.217 8.065 1.00 0.00 O ATOM 146 CB VAL A 12 2.671 3.486 4.959 1.00 0.00 C ATOM 147 CG1 VAL A 12 4.018 4.180 4.751 1.00 0.00 C ATOM 148 CG2 VAL A 12 2.061 3.061 3.622 1.00 0.00 C ATOM 0 H VAL A 12 0.864 2.644 6.595 1.00 0.00 H new ATOM 0 HA VAL A 12 3.277 1.490 5.329 1.00 0.00 H new ATOM 0 HB VAL A 12 1.993 4.202 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.891 5.026 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.396 4.535 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.728 3.475 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.973 3.930 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.702 2.316 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.073 2.634 3.792 1.00 0.00 H new ATOM 158 N ALA A 13 4.945 2.091 7.006 1.00 0.00 N ATOM 159 CA ALA A 13 5.914 2.288 8.070 1.00 0.00 C ATOM 160 C ALA A 13 6.968 3.298 7.614 1.00 0.00 C ATOM 161 O ALA A 13 7.634 3.922 8.439 1.00 0.00 O ATOM 162 CB ALA A 13 6.526 0.941 8.459 1.00 0.00 C ATOM 0 H ALA A 13 5.291 1.560 6.207 1.00 0.00 H new ATOM 0 HA ALA A 13 5.431 2.695 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.253 1.089 9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.739 0.270 8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.022 0.503 7.593 1.00 0.00 H new ATOM 168 N PHE A 14 7.087 3.429 6.301 1.00 0.00 N ATOM 169 CA PHE A 14 8.050 4.353 5.725 1.00 0.00 C ATOM 170 C PHE A 14 7.415 5.176 4.602 1.00 0.00 C ATOM 171 O PHE A 14 6.809 4.621 3.687 1.00 0.00 O ATOM 172 CB PHE A 14 9.187 3.510 5.144 1.00 0.00 C ATOM 173 CG PHE A 14 9.412 2.183 5.871 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.593 1.125 5.626 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.431 2.061 6.763 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.802 -0.106 6.301 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.641 0.829 7.439 1.00 0.00 C ATOM 178 CZ PHE A 14 9.822 -0.228 7.193 1.00 0.00 C ATOM 0 H PHE A 14 6.533 2.911 5.619 1.00 0.00 H new ATOM 0 HA PHE A 14 8.406 5.044 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.975 3.306 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.109 4.091 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.783 1.222 4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.081 2.901 6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.151 -0.946 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.450 0.732 8.148 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.981 -1.165 7.706 1.00 0.00 H new ATOM 188 N SER A 15 7.577 6.487 4.709 1.00 0.00 N ATOM 189 CA SER A 15 7.028 7.392 3.714 1.00 0.00 C ATOM 190 C SER A 15 7.694 7.146 2.359 1.00 0.00 C ATOM 191 O SER A 15 8.919 7.098 2.265 1.00 0.00 O ATOM 192 CB SER A 15 7.208 8.851 4.137 1.00 0.00 C ATOM 193 OG SER A 15 6.398 9.185 5.261 1.00 0.00 O ATOM 0 H SER A 15 8.081 6.944 5.469 1.00 0.00 H new ATOM 0 HA SER A 15 5.959 7.197 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.255 9.032 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.956 9.504 3.302 1.00 0.00 H new ATOM 0 HG SER A 15 6.543 10.124 5.501 1.00 0.00 H new ATOM 199 N TYR A 16 6.857 6.997 1.342 1.00 0.00 N ATOM 200 CA TYR A 16 7.350 6.758 -0.004 1.00 0.00 C ATOM 201 C TYR A 16 6.859 7.840 -0.968 1.00 0.00 C ATOM 202 O TYR A 16 5.657 8.072 -1.087 1.00 0.00 O ATOM 203 CB TYR A 16 6.768 5.409 -0.432 1.00 0.00 C ATOM 204 CG TYR A 16 7.079 5.029 -1.881 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.388 5.626 -2.915 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.052 4.088 -2.154 1.00 0.00 C ATOM 207 CE1 TYR A 16 6.680 5.269 -4.278 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.345 3.731 -3.518 1.00 0.00 C ATOM 209 CZ TYR A 16 7.644 4.338 -4.513 1.00 0.00 C ATOM 210 OH TYR A 16 7.921 4.001 -5.801 1.00 0.00 O ATOM 0 H TYR A 16 5.841 7.037 1.423 1.00 0.00 H new ATOM 0 HA TYR A 16 8.440 6.768 -0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.155 4.632 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.687 5.432 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.627 6.362 -2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.593 3.620 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.146 5.730 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.104 2.998 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 16 7.618 3.085 -5.972 1.00 0.00 H new ATOM 220 N LEU A 17 7.815 8.474 -1.631 1.00 0.00 N ATOM 221 CA LEU A 17 7.495 9.526 -2.581 1.00 0.00 C ATOM 222 C LEU A 17 7.539 8.956 -4.001 1.00 0.00 C ATOM 223 O LEU A 17 8.502 8.291 -4.377 1.00 0.00 O ATOM 224 CB LEU A 17 8.414 10.732 -2.374 1.00 0.00 C ATOM 225 CG LEU A 17 8.279 11.455 -1.032 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.088 12.415 -1.044 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.198 10.455 0.123 1.00 0.00 C ATOM 0 H LEU A 17 8.811 8.280 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 17 6.482 9.893 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.446 10.400 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.224 11.450 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 17 9.175 12.056 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.015 12.916 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.228 13.158 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.172 11.856 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.103 10.994 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.331 9.809 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.103 9.848 0.143 1.00 0.00 H new ATOM 239 N PRO A 18 6.456 9.246 -4.770 1.00 0.00 N ATOM 240 CA PRO A 18 6.361 8.770 -6.140 1.00 0.00 C ATOM 241 C PRO A 18 7.277 9.576 -7.064 1.00 0.00 C ATOM 242 O PRO A 18 7.058 10.767 -7.275 1.00 0.00 O ATOM 243 CB PRO A 18 4.890 8.899 -6.500 1.00 0.00 C ATOM 244 CG PRO A 18 4.297 9.870 -5.492 1.00 0.00 C ATOM 245 CD PRO A 18 5.296 10.031 -4.358 1.00 0.00 C ATOM 0 HA PRO A 18 6.695 7.738 -6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.768 9.270 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.390 7.932 -6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.095 10.832 -5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.347 9.494 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.560 11.078 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.887 9.668 -3.415 1.00 0.00 H new ATOM 253 N GLN A 19 8.282 8.892 -7.590 1.00 0.00 N ATOM 254 CA GLN A 19 9.232 9.529 -8.487 1.00 0.00 C ATOM 255 C GLN A 19 8.646 9.628 -9.897 1.00 0.00 C ATOM 256 O GLN A 19 9.341 10.013 -10.836 1.00 0.00 O ATOM 257 CB GLN A 19 10.564 8.778 -8.498 1.00 0.00 C ATOM 258 CG GLN A 19 10.892 8.221 -7.112 1.00 0.00 C ATOM 259 CD GLN A 19 12.321 8.579 -6.700 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.172 7.725 -6.510 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.537 9.885 -6.574 1.00 0.00 N ATOM 0 H GLN A 19 8.459 7.903 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 19 9.425 10.538 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.520 7.963 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.360 9.448 -8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.189 8.619 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.771 7.138 -7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.780 10.546 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.460 10.226 -6.303 1.00 0.00 H new ATOM 270 N ASN A 20 7.373 9.274 -10.000 1.00 0.00 N ATOM 271 CA ASN A 20 6.686 9.318 -11.280 1.00 0.00 C ATOM 272 C ASN A 20 5.287 9.907 -11.083 1.00 0.00 C ATOM 273 O ASN A 20 4.896 10.223 -9.961 1.00 0.00 O ATOM 274 CB ASN A 20 6.530 7.915 -11.870 1.00 0.00 C ATOM 275 CG ASN A 20 7.716 7.026 -11.492 1.00 0.00 C ATOM 276 OD1 ASN A 20 7.821 6.524 -10.385 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.601 6.860 -12.470 1.00 0.00 N ATOM 0 H ASN A 20 6.800 8.956 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 20 7.278 9.931 -11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.605 7.466 -11.509 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.451 7.980 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.428 6.284 -12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.453 7.309 -13.374 1.00 0.00 H new ATOM 284 N ASP A 21 4.573 10.036 -12.191 1.00 0.00 N ATOM 285 CA ASP A 21 3.226 10.581 -12.154 1.00 0.00 C ATOM 286 C ASP A 21 2.216 9.442 -12.303 1.00 0.00 C ATOM 287 O ASP A 21 1.133 9.636 -12.853 1.00 0.00 O ATOM 288 CB ASP A 21 3.000 11.567 -13.302 1.00 0.00 C ATOM 289 CG ASP A 21 2.103 12.759 -12.963 1.00 0.00 C ATOM 290 OD1 ASP A 21 0.899 12.515 -12.729 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.641 13.887 -12.944 1.00 0.00 O ATOM 0 H ASP A 21 4.901 9.773 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 21 3.097 11.098 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.968 11.943 -13.634 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.561 11.029 -14.142 1.00 0.00 H new ATOM 296 N ASP A 22 2.606 8.278 -11.804 1.00 0.00 N ATOM 297 CA ASP A 22 1.747 7.108 -11.874 1.00 0.00 C ATOM 298 C ASP A 22 2.024 6.204 -10.671 1.00 0.00 C ATOM 299 O ASP A 22 1.718 5.013 -10.701 1.00 0.00 O ATOM 300 CB ASP A 22 2.020 6.301 -13.145 1.00 0.00 C ATOM 301 CG ASP A 22 0.770 5.834 -13.895 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.309 6.390 -13.600 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.924 4.933 -14.747 1.00 0.00 O ATOM 0 H ASP A 22 3.505 8.120 -11.350 1.00 0.00 H new ATOM 0 HA ASP A 22 0.712 7.449 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.625 6.907 -13.819 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.615 5.427 -12.882 1.00 0.00 H new ATOM 308 N GLU A 23 2.601 6.805 -9.641 1.00 0.00 N ATOM 309 CA GLU A 23 2.924 6.069 -8.430 1.00 0.00 C ATOM 310 C GLU A 23 2.069 6.567 -7.263 1.00 0.00 C ATOM 311 O GLU A 23 1.329 7.540 -7.402 1.00 0.00 O ATOM 312 CB GLU A 23 4.414 6.176 -8.104 1.00 0.00 C ATOM 313 CG GLU A 23 5.212 5.081 -8.816 1.00 0.00 C ATOM 314 CD GLU A 23 6.047 4.275 -7.819 1.00 0.00 C ATOM 315 OE1 GLU A 23 5.471 3.883 -6.781 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.243 4.069 -8.117 1.00 0.00 O ATOM 0 H GLU A 23 2.853 7.793 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 23 2.698 5.016 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.786 7.156 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.561 6.096 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.531 4.416 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.866 5.530 -9.564 1.00 0.00 H new ATOM 323 N LEU A 24 2.200 5.879 -6.139 1.00 0.00 N ATOM 324 CA LEU A 24 1.450 6.240 -4.948 1.00 0.00 C ATOM 325 C LEU A 24 2.393 6.886 -3.932 1.00 0.00 C ATOM 326 O LEU A 24 3.572 6.540 -3.866 1.00 0.00 O ATOM 327 CB LEU A 24 0.696 5.025 -4.401 1.00 0.00 C ATOM 328 CG LEU A 24 -0.657 4.728 -5.051 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.427 3.672 -4.255 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.470 6.011 -5.237 1.00 0.00 C ATOM 0 H LEU A 24 2.815 5.073 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 24 0.686 6.979 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.332 4.147 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.539 5.170 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.476 4.315 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.385 3.479 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.847 2.750 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.598 4.034 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.427 5.771 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.643 6.476 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.920 6.701 -5.876 1.00 0.00 H new ATOM 342 N GLU A 25 1.840 7.814 -3.165 1.00 0.00 N ATOM 343 CA GLU A 25 2.617 8.512 -2.155 1.00 0.00 C ATOM 344 C GLU A 25 2.262 7.994 -0.760 1.00 0.00 C ATOM 345 O GLU A 25 1.253 8.397 -0.183 1.00 0.00 O ATOM 346 CB GLU A 25 2.406 10.025 -2.249 1.00 0.00 C ATOM 347 CG GLU A 25 3.185 10.756 -1.154 1.00 0.00 C ATOM 348 CD GLU A 25 2.871 12.254 -1.166 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.673 12.584 -1.034 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.837 13.034 -1.307 1.00 0.00 O ATOM 0 H GLU A 25 0.862 8.099 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 25 3.673 8.314 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.727 10.380 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.344 10.254 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.933 10.336 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.254 10.604 -1.300 1.00 0.00 H new ATOM 357 N LEU A 26 3.111 7.110 -0.258 1.00 0.00 N ATOM 358 CA LEU A 26 2.900 6.533 1.059 1.00 0.00 C ATOM 359 C LEU A 26 3.248 7.571 2.127 1.00 0.00 C ATOM 360 O LEU A 26 4.161 8.375 1.943 1.00 0.00 O ATOM 361 CB LEU A 26 3.675 5.222 1.200 1.00 0.00 C ATOM 362 CG LEU A 26 3.598 4.266 0.007 1.00 0.00 C ATOM 363 CD1 LEU A 26 4.544 3.077 0.196 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.157 3.817 -0.244 1.00 0.00 C ATOM 0 H LEU A 26 3.947 6.779 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 26 1.851 6.272 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.723 5.460 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.308 4.699 2.083 1.00 0.00 H new ATOM 0 HG LEU A 26 3.928 4.803 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.470 2.413 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.568 3.438 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.268 2.532 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.131 3.139 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.777 3.304 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.536 4.688 -0.454 1.00 0.00 H new ATOM 376 N LYS A 27 2.503 7.520 3.221 1.00 0.00 N ATOM 377 CA LYS A 27 2.721 8.446 4.320 1.00 0.00 C ATOM 378 C LYS A 27 2.669 7.682 5.644 1.00 0.00 C ATOM 379 O LYS A 27 1.653 7.071 5.972 1.00 0.00 O ATOM 380 CB LYS A 27 1.732 9.611 4.243 1.00 0.00 C ATOM 381 CG LYS A 27 2.387 10.846 3.620 1.00 0.00 C ATOM 382 CD LYS A 27 1.854 12.130 4.259 1.00 0.00 C ATOM 383 CE LYS A 27 1.906 13.297 3.270 1.00 0.00 C ATOM 384 NZ LYS A 27 1.259 14.495 3.848 1.00 0.00 N ATOM 0 H LYS A 27 1.747 6.852 3.370 1.00 0.00 H new ATOM 0 HA LYS A 27 3.712 8.894 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.864 9.318 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.370 9.852 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.468 10.793 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.194 10.862 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.827 11.976 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.443 12.372 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.942 13.522 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.406 13.018 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.303 15.277 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.265 14.281 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.754 14.770 4.721 1.00 0.00 H new ATOM 398 N VAL A 28 3.777 7.740 6.368 1.00 0.00 N ATOM 399 CA VAL A 28 3.870 7.061 7.649 1.00 0.00 C ATOM 400 C VAL A 28 2.520 7.144 8.365 1.00 0.00 C ATOM 401 O VAL A 28 2.179 8.179 8.936 1.00 0.00 O ATOM 402 CB VAL A 28 5.019 7.648 8.471 1.00 0.00 C ATOM 403 CG1 VAL A 28 5.088 7.004 9.857 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.351 7.502 7.732 1.00 0.00 C ATOM 0 H VAL A 28 4.618 8.247 6.092 1.00 0.00 H new ATOM 0 HA VAL A 28 4.098 6.005 7.505 1.00 0.00 H new ATOM 0 HB VAL A 28 4.825 8.712 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.913 7.440 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.153 7.182 10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.247 5.931 9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.152 7.927 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.553 6.446 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.298 8.029 6.779 1.00 0.00 H new ATOM 414 N GLY A 29 1.789 6.040 8.312 1.00 0.00 N ATOM 415 CA GLY A 29 0.484 5.975 8.948 1.00 0.00 C ATOM 416 C GLY A 29 -0.635 5.965 7.904 1.00 0.00 C ATOM 417 O GLY A 29 -1.770 6.332 8.203 1.00 0.00 O ATOM 0 H GLY A 29 2.076 5.183 7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.420 5.078 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.357 6.828 9.614 1.00 0.00 H new ATOM 421 N ASP A 30 -0.275 5.539 6.702 1.00 0.00 N ATOM 422 CA ASP A 30 -1.235 5.476 5.613 1.00 0.00 C ATOM 423 C ASP A 30 -1.889 4.093 5.596 1.00 0.00 C ATOM 424 O ASP A 30 -1.293 3.114 6.041 1.00 0.00 O ATOM 425 CB ASP A 30 -0.549 5.691 4.262 1.00 0.00 C ATOM 426 CG ASP A 30 -1.117 4.860 3.109 1.00 0.00 C ATOM 427 OD1 ASP A 30 -2.349 4.933 2.911 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.306 4.172 2.453 1.00 0.00 O ATOM 0 H ASP A 30 0.667 5.234 6.458 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.976 6.259 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.620 6.746 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.511 5.460 4.369 1.00 0.00 H new ATOM 433 N ILE A 31 -3.108 4.057 5.077 1.00 0.00 N ATOM 434 CA ILE A 31 -3.851 2.811 4.996 1.00 0.00 C ATOM 435 C ILE A 31 -4.300 2.583 3.551 1.00 0.00 C ATOM 436 O ILE A 31 -5.397 2.986 3.168 1.00 0.00 O ATOM 437 CB ILE A 31 -5.000 2.805 6.006 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.483 3.042 7.426 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.816 1.515 5.901 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.454 2.477 8.465 1.00 0.00 C ATOM 0 H ILE A 31 -3.600 4.871 4.708 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.214 1.969 5.269 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.670 3.630 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.506 2.574 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.347 4.110 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.626 1.537 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.233 1.429 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.171 0.659 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.062 2.659 9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.423 2.965 8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.569 1.404 8.310 1.00 0.00 H new ATOM 452 N ILE A 32 -3.429 1.937 2.790 1.00 0.00 N ATOM 453 CA ILE A 32 -3.723 1.650 1.396 1.00 0.00 C ATOM 454 C ILE A 32 -4.628 0.419 1.312 1.00 0.00 C ATOM 455 O ILE A 32 -4.449 -0.539 2.062 1.00 0.00 O ATOM 456 CB ILE A 32 -2.428 1.517 0.592 1.00 0.00 C ATOM 457 CG1 ILE A 32 -2.023 2.859 -0.021 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.549 0.417 -0.465 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.517 3.092 0.117 1.00 0.00 C ATOM 0 H ILE A 32 -2.520 1.604 3.112 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.269 2.478 0.944 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.631 1.221 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.303 2.881 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.566 3.666 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.615 0.343 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.756 -0.535 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.362 0.658 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.255 4.053 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.244 3.093 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.023 2.296 -0.396 1.00 0.00 H new ATOM 471 N GLU A 33 -5.581 0.486 0.394 1.00 0.00 N ATOM 472 CA GLU A 33 -6.514 -0.611 0.203 1.00 0.00 C ATOM 473 C GLU A 33 -6.009 -1.553 -0.892 1.00 0.00 C ATOM 474 O GLU A 33 -6.545 -1.569 -1.999 1.00 0.00 O ATOM 475 CB GLU A 33 -7.914 -0.088 -0.127 1.00 0.00 C ATOM 476 CG GLU A 33 -8.842 -0.204 1.084 1.00 0.00 C ATOM 477 CD GLU A 33 -10.309 -0.222 0.651 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.564 -0.712 -0.470 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.143 0.256 1.451 1.00 0.00 O ATOM 0 H GLU A 33 -5.727 1.283 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.581 -1.172 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.852 0.953 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.329 -0.651 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.611 -1.114 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.669 0.633 1.761 1.00 0.00 H new ATOM 486 N VAL A 34 -4.982 -2.315 -0.544 1.00 0.00 N ATOM 487 CA VAL A 34 -4.398 -3.258 -1.483 1.00 0.00 C ATOM 488 C VAL A 34 -5.514 -3.927 -2.288 1.00 0.00 C ATOM 489 O VAL A 34 -6.357 -4.625 -1.727 1.00 0.00 O ATOM 490 CB VAL A 34 -3.516 -4.261 -0.737 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.957 -5.317 -1.693 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.389 -3.549 0.014 1.00 0.00 C ATOM 0 H VAL A 34 -4.540 -2.299 0.375 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.751 -2.740 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.138 -4.771 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.334 -6.017 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.780 -5.856 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.358 -4.830 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.777 -4.285 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.770 -3.000 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.816 -2.854 0.737 1.00 0.00 H new ATOM 502 N VAL A 35 -5.484 -3.690 -3.591 1.00 0.00 N ATOM 503 CA VAL A 35 -6.482 -4.260 -4.479 1.00 0.00 C ATOM 504 C VAL A 35 -5.894 -5.487 -5.179 1.00 0.00 C ATOM 505 O VAL A 35 -6.529 -6.540 -5.231 1.00 0.00 O ATOM 506 CB VAL A 35 -6.981 -3.195 -5.459 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.488 -1.960 -4.713 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.890 -2.820 -6.463 1.00 0.00 C ATOM 0 H VAL A 35 -4.783 -3.110 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.351 -4.594 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.817 -3.617 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.837 -1.218 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.310 -2.244 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.679 -1.536 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.270 -2.062 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.025 -2.426 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.596 -3.704 -7.028 1.00 0.00 H new ATOM 518 N GLY A 36 -4.689 -5.311 -5.700 1.00 0.00 N ATOM 519 CA GLY A 36 -4.009 -6.391 -6.394 1.00 0.00 C ATOM 520 C GLY A 36 -2.496 -6.319 -6.172 1.00 0.00 C ATOM 521 O GLY A 36 -2.040 -5.832 -5.139 1.00 0.00 O ATOM 0 H GLY A 36 -4.166 -4.436 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.387 -7.350 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.227 -6.337 -7.461 1.00 0.00 H new ATOM 525 N GLU A 37 -1.762 -6.812 -7.158 1.00 0.00 N ATOM 526 CA GLU A 37 -0.311 -6.810 -7.083 1.00 0.00 C ATOM 527 C GLU A 37 0.292 -6.570 -8.469 1.00 0.00 C ATOM 528 O GLU A 37 -0.158 -7.152 -9.455 1.00 0.00 O ATOM 529 CB GLU A 37 0.209 -8.116 -6.478 1.00 0.00 C ATOM 530 CG GLU A 37 1.697 -8.306 -6.780 1.00 0.00 C ATOM 531 CD GLU A 37 1.903 -9.337 -7.892 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.911 -10.541 -7.555 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.049 -8.898 -9.053 1.00 0.00 O ATOM 0 H GLU A 37 -2.145 -7.216 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.002 -5.996 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.051 -8.110 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.357 -8.957 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.136 -7.353 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.216 -8.630 -5.878 1.00 0.00 H new ATOM 540 N VAL A 38 1.301 -5.711 -8.500 1.00 0.00 N ATOM 541 CA VAL A 38 1.970 -5.387 -9.748 1.00 0.00 C ATOM 542 C VAL A 38 3.011 -6.464 -10.059 1.00 0.00 C ATOM 543 O VAL A 38 2.837 -7.252 -10.987 1.00 0.00 O ATOM 544 CB VAL A 38 2.568 -3.981 -9.671 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.032 -3.506 -11.050 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.572 -2.994 -9.058 1.00 0.00 C ATOM 0 H VAL A 38 1.671 -5.230 -7.680 1.00 0.00 H new ATOM 0 HA VAL A 38 1.257 -5.378 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 38 3.441 -4.024 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.453 -2.504 -10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.791 -4.188 -11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.183 -3.487 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.022 -2.002 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.672 -2.957 -9.671 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.312 -3.318 -8.050 1.00 0.00 H new ATOM 556 N GLU A 39 4.071 -6.463 -9.264 1.00 0.00 N ATOM 557 CA GLU A 39 5.141 -7.430 -9.442 1.00 0.00 C ATOM 558 C GLU A 39 5.784 -7.765 -8.095 1.00 0.00 C ATOM 559 O GLU A 39 5.474 -7.139 -7.082 1.00 0.00 O ATOM 560 CB GLU A 39 6.185 -6.916 -10.435 1.00 0.00 C ATOM 561 CG GLU A 39 6.808 -5.607 -9.947 1.00 0.00 C ATOM 562 CD GLU A 39 7.991 -5.201 -10.829 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.740 -4.918 -12.020 1.00 0.00 O ATOM 564 OE2 GLU A 39 9.120 -5.183 -10.292 1.00 0.00 O ATOM 0 H GLU A 39 4.212 -5.808 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 39 4.713 -8.343 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.964 -7.666 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.721 -6.761 -11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.057 -4.817 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.141 -5.721 -8.915 1.00 0.00 H new ATOM 571 N GLU A 40 6.668 -8.751 -8.126 1.00 0.00 N ATOM 572 CA GLU A 40 7.358 -9.176 -6.919 1.00 0.00 C ATOM 573 C GLU A 40 7.987 -7.972 -6.215 1.00 0.00 C ATOM 574 O GLU A 40 8.914 -7.356 -6.739 1.00 0.00 O ATOM 575 CB GLU A 40 8.413 -10.238 -7.236 1.00 0.00 C ATOM 576 CG GLU A 40 8.831 -10.989 -5.971 1.00 0.00 C ATOM 577 CD GLU A 40 10.341 -10.885 -5.746 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.077 -11.068 -6.740 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.725 -10.626 -4.585 1.00 0.00 O ATOM 0 H GLU A 40 6.923 -9.268 -8.967 1.00 0.00 H new ATOM 0 HA GLU A 40 6.628 -9.625 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.017 -10.942 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.285 -9.766 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.302 -10.581 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.543 -12.037 -6.054 1.00 0.00 H new ATOM 586 N GLY A 41 7.457 -7.672 -5.038 1.00 0.00 N ATOM 587 CA GLY A 41 7.954 -6.553 -4.257 1.00 0.00 C ATOM 588 C GLY A 41 7.121 -5.294 -4.509 1.00 0.00 C ATOM 589 O GLY A 41 7.235 -4.313 -3.776 1.00 0.00 O ATOM 0 H GLY A 41 6.688 -8.185 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.927 -6.805 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.996 -6.361 -4.513 1.00 0.00 H new ATOM 593 N TRP A 42 6.304 -5.364 -5.549 1.00 0.00 N ATOM 594 CA TRP A 42 5.452 -4.242 -5.908 1.00 0.00 C ATOM 595 C TRP A 42 3.999 -4.721 -5.871 1.00 0.00 C ATOM 596 O TRP A 42 3.657 -5.725 -6.495 1.00 0.00 O ATOM 597 CB TRP A 42 5.855 -3.659 -7.263 1.00 0.00 C ATOM 598 CG TRP A 42 7.202 -2.933 -7.253 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.428 -3.468 -7.332 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.410 -1.508 -7.153 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.407 -2.496 -7.291 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.769 -1.267 -7.179 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.481 -0.458 -7.046 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.320 0.018 -7.101 1.00 0.00 C ATOM 605 CZ3 TRP A 42 7.049 0.819 -6.969 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.414 1.079 -6.993 1.00 0.00 C ATOM 0 H TRP A 42 6.213 -6.180 -6.155 1.00 0.00 H new ATOM 0 HA TRP A 42 5.568 -3.426 -5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.894 -4.464 -7.996 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.082 -2.965 -7.592 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.625 -4.526 -7.417 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.414 -2.651 -7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.414 -0.624 -7.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.387 0.181 -7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.379 1.662 -6.885 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.774 2.095 -6.929 1.00 0.00 H new ATOM 617 N TRP A 43 3.184 -3.980 -5.135 1.00 0.00 N ATOM 618 CA TRP A 43 1.776 -4.317 -5.009 1.00 0.00 C ATOM 619 C TRP A 43 0.959 -3.141 -5.548 1.00 0.00 C ATOM 620 O TRP A 43 1.482 -2.039 -5.708 1.00 0.00 O ATOM 621 CB TRP A 43 1.425 -4.677 -3.564 1.00 0.00 C ATOM 622 CG TRP A 43 1.948 -6.044 -3.119 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.504 -7.001 -3.875 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.941 -6.572 -1.776 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.854 -8.102 -3.121 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.501 -7.833 -1.803 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.477 -6.002 -0.577 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.650 -8.630 -0.663 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.633 -6.812 0.554 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.194 -8.083 0.543 1.00 0.00 C ATOM 0 H TRP A 43 3.471 -3.148 -4.620 1.00 0.00 H new ATOM 0 HA TRP A 43 1.538 -5.204 -5.595 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.829 -3.912 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.341 -4.659 -3.449 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.659 -6.920 -4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.291 -8.956 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.035 -5.017 -0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.093 -9.614 -0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.293 -6.421 1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.278 -8.647 1.460 1.00 0.00 H new ATOM 641 N GLU A 44 -0.310 -3.415 -5.812 1.00 0.00 N ATOM 642 CA GLU A 44 -1.205 -2.393 -6.329 1.00 0.00 C ATOM 643 C GLU A 44 -2.398 -2.208 -5.389 1.00 0.00 C ATOM 644 O GLU A 44 -3.025 -3.182 -4.977 1.00 0.00 O ATOM 645 CB GLU A 44 -1.670 -2.736 -7.745 1.00 0.00 C ATOM 646 CG GLU A 44 -2.006 -1.470 -8.534 1.00 0.00 C ATOM 647 CD GLU A 44 -1.147 -1.364 -9.796 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.299 -2.253 -10.662 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.357 -0.398 -9.865 1.00 0.00 O ATOM 0 H GLU A 44 -0.740 -4.330 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.659 -1.451 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.890 -3.295 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.547 -3.382 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.061 -1.478 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.846 -0.593 -7.906 1.00 0.00 H new ATOM 656 N GLY A 45 -2.676 -0.950 -5.078 1.00 0.00 N ATOM 657 CA GLY A 45 -3.783 -0.625 -4.196 1.00 0.00 C ATOM 658 C GLY A 45 -4.140 0.860 -4.287 1.00 0.00 C ATOM 659 O GLY A 45 -3.661 1.563 -5.176 1.00 0.00 O ATOM 0 H GLY A 45 -2.153 -0.144 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.652 -1.228 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.520 -0.877 -3.169 1.00 0.00 H new ATOM 663 N VAL A 46 -4.976 1.294 -3.355 1.00 0.00 N ATOM 664 CA VAL A 46 -5.402 2.683 -3.320 1.00 0.00 C ATOM 665 C VAL A 46 -4.876 3.340 -2.042 1.00 0.00 C ATOM 666 O VAL A 46 -4.469 2.651 -1.108 1.00 0.00 O ATOM 667 CB VAL A 46 -6.924 2.767 -3.453 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.431 4.160 -3.075 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.373 2.384 -4.864 1.00 0.00 C ATOM 0 H VAL A 46 -5.370 0.708 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.985 3.233 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.361 2.051 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.516 4.193 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.158 4.379 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.981 4.902 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.459 2.452 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.921 3.064 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.059 1.363 -5.081 1.00 0.00 H new ATOM 679 N LEU A 47 -4.902 4.664 -2.042 1.00 0.00 N ATOM 680 CA LEU A 47 -4.434 5.422 -0.894 1.00 0.00 C ATOM 681 C LEU A 47 -5.577 6.285 -0.356 1.00 0.00 C ATOM 682 O LEU A 47 -6.184 5.953 0.661 1.00 0.00 O ATOM 683 CB LEU A 47 -3.179 6.220 -1.255 1.00 0.00 C ATOM 684 CG LEU A 47 -2.786 7.330 -0.279 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.727 6.803 1.156 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.473 7.992 -0.700 1.00 0.00 C ATOM 0 H LEU A 47 -5.240 5.232 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.137 4.749 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.343 5.526 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.326 6.664 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.558 8.099 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.445 7.612 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.705 6.417 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.988 6.004 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.217 8.777 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.679 7.246 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.586 8.425 -1.694 1.00 0.00 H new ATOM 698 N ASN A 48 -5.837 7.375 -1.063 1.00 0.00 N ATOM 699 CA ASN A 48 -6.897 8.287 -0.670 1.00 0.00 C ATOM 700 C ASN A 48 -7.836 8.513 -1.856 1.00 0.00 C ATOM 701 O ASN A 48 -8.222 9.647 -2.140 1.00 0.00 O ATOM 702 CB ASN A 48 -6.328 9.644 -0.251 1.00 0.00 C ATOM 703 CG ASN A 48 -6.966 10.128 1.053 1.00 0.00 C ATOM 704 OD1 ASN A 48 -8.109 10.552 1.095 1.00 0.00 O ATOM 705 ND2 ASN A 48 -6.165 10.041 2.111 1.00 0.00 N ATOM 0 H ASN A 48 -5.331 7.647 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.429 7.843 0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.248 9.566 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.505 10.375 -1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.497 10.339 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.218 9.676 2.005 1.00 0.00 H new ATOM 712 N GLY A 49 -8.177 7.417 -2.517 1.00 0.00 N ATOM 713 CA GLY A 49 -9.064 7.482 -3.667 1.00 0.00 C ATOM 714 C GLY A 49 -8.276 7.373 -4.974 1.00 0.00 C ATOM 715 O GLY A 49 -8.862 7.224 -6.045 1.00 0.00 O ATOM 0 H GLY A 49 -7.855 6.479 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.797 6.677 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.619 8.420 -3.650 1.00 0.00 H new ATOM 719 N LYS A 50 -6.960 7.452 -4.843 1.00 0.00 N ATOM 720 CA LYS A 50 -6.086 7.364 -6.000 1.00 0.00 C ATOM 721 C LYS A 50 -5.705 5.902 -6.236 1.00 0.00 C ATOM 722 O LYS A 50 -6.403 4.994 -5.787 1.00 0.00 O ATOM 723 CB LYS A 50 -4.882 8.294 -5.834 1.00 0.00 C ATOM 724 CG LYS A 50 -4.059 7.911 -4.602 1.00 0.00 C ATOM 725 CD LYS A 50 -4.193 8.967 -3.503 1.00 0.00 C ATOM 726 CE LYS A 50 -3.478 10.261 -3.896 1.00 0.00 C ATOM 727 NZ LYS A 50 -3.360 11.163 -2.728 1.00 0.00 N ATOM 0 H LYS A 50 -6.478 7.576 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.604 7.707 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.255 8.245 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.224 9.325 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.391 6.944 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.011 7.801 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.247 9.172 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.774 8.584 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.487 10.031 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.028 10.760 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.872 12.037 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.309 11.396 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.816 10.691 -1.978 1.00 0.00 H new ATOM 741 N THR A 51 -4.598 5.718 -6.941 1.00 0.00 N ATOM 742 CA THR A 51 -4.116 4.381 -7.242 1.00 0.00 C ATOM 743 C THR A 51 -2.728 4.447 -7.884 1.00 0.00 C ATOM 744 O THR A 51 -2.407 5.409 -8.579 1.00 0.00 O ATOM 745 CB THR A 51 -5.159 3.689 -8.121 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.022 3.041 -7.190 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.567 2.541 -8.941 1.00 0.00 C ATOM 0 H THR A 51 -4.021 6.473 -7.312 1.00 0.00 H new ATOM 0 HA THR A 51 -3.993 3.791 -6.334 1.00 0.00 H new ATOM 0 HB THR A 51 -5.609 4.420 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.678 3.684 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.350 2.085 -9.547 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.782 2.926 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.146 1.793 -8.269 1.00 0.00 H new ATOM 755 N GLY A 52 -1.944 3.410 -7.629 1.00 0.00 N ATOM 756 CA GLY A 52 -0.598 3.338 -8.173 1.00 0.00 C ATOM 757 C GLY A 52 0.171 2.156 -7.578 1.00 0.00 C ATOM 758 O GLY A 52 -0.253 1.573 -6.582 1.00 0.00 O ATOM 0 H GLY A 52 -2.215 2.613 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.645 3.237 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.066 4.266 -7.962 1.00 0.00 H new ATOM 762 N MET A 53 1.288 1.838 -8.216 1.00 0.00 N ATOM 763 CA MET A 53 2.120 0.736 -7.762 1.00 0.00 C ATOM 764 C MET A 53 3.047 1.180 -6.629 1.00 0.00 C ATOM 765 O MET A 53 3.747 2.184 -6.751 1.00 0.00 O ATOM 766 CB MET A 53 2.957 0.213 -8.932 1.00 0.00 C ATOM 767 CG MET A 53 3.675 1.359 -9.647 1.00 0.00 C ATOM 768 SD MET A 53 5.403 0.963 -9.852 1.00 0.00 S ATOM 769 CE MET A 53 5.266 -0.573 -10.750 1.00 0.00 C ATOM 0 H MET A 53 1.636 2.323 -9.043 1.00 0.00 H new ATOM 0 HA MET A 53 1.471 -0.055 -7.386 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.689 -0.508 -8.567 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.314 -0.314 -9.637 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.216 1.536 -10.620 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.570 2.279 -9.073 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.179 -0.744 -11.320 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.118 -1.393 -10.048 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.417 -0.521 -11.432 1.00 0.00 H new ATOM 779 N PHE A 54 3.023 0.409 -5.551 1.00 0.00 N ATOM 780 CA PHE A 54 3.853 0.710 -4.397 1.00 0.00 C ATOM 781 C PHE A 54 4.578 -0.542 -3.902 1.00 0.00 C ATOM 782 O PHE A 54 4.128 -1.661 -4.142 1.00 0.00 O ATOM 783 CB PHE A 54 2.920 1.214 -3.295 1.00 0.00 C ATOM 784 CG PHE A 54 2.079 0.116 -2.640 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.872 -0.223 -3.167 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.540 -0.523 -1.531 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.093 -1.242 -2.560 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.760 -1.543 -0.924 1.00 0.00 C ATOM 789 CZ PHE A 54 0.553 -1.881 -1.451 1.00 0.00 C ATOM 0 H PHE A 54 2.442 -0.423 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 54 4.606 1.452 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.515 1.708 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.253 1.967 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.506 0.284 -4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.499 -0.255 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.866 -1.510 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.126 -2.050 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.040 -2.656 -0.989 1.00 0.00 H new ATOM 799 N PRO A 55 5.720 -0.306 -3.201 1.00 0.00 N ATOM 800 CA PRO A 55 6.512 -1.402 -2.670 1.00 0.00 C ATOM 801 C PRO A 55 5.842 -2.017 -1.439 1.00 0.00 C ATOM 802 O PRO A 55 5.399 -1.297 -0.545 1.00 0.00 O ATOM 803 CB PRO A 55 7.871 -0.793 -2.365 1.00 0.00 C ATOM 804 CG PRO A 55 7.649 0.709 -2.298 1.00 0.00 C ATOM 805 CD PRO A 55 6.284 1.005 -2.897 1.00 0.00 C ATOM 0 HA PRO A 55 6.610 -2.230 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.266 -1.172 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.595 -1.047 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.696 1.056 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.429 1.235 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.655 1.554 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.370 1.617 -3.795 1.00 0.00 H new ATOM 813 N SER A 56 5.789 -3.341 -1.433 1.00 0.00 N ATOM 814 CA SER A 56 5.181 -4.060 -0.326 1.00 0.00 C ATOM 815 C SER A 56 6.229 -4.345 0.752 1.00 0.00 C ATOM 816 O SER A 56 5.945 -5.031 1.732 1.00 0.00 O ATOM 817 CB SER A 56 4.542 -5.365 -0.803 1.00 0.00 C ATOM 818 OG SER A 56 5.500 -6.412 -0.936 1.00 0.00 O ATOM 0 H SER A 56 6.157 -3.934 -2.177 1.00 0.00 H new ATOM 0 HA SER A 56 4.395 -3.435 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.769 -5.669 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.051 -5.199 -1.762 1.00 0.00 H new ATOM 0 HG SER A 56 5.053 -7.227 -1.245 1.00 0.00 H new ATOM 824 N ASN A 57 7.419 -3.804 0.533 1.00 0.00 N ATOM 825 CA ASN A 57 8.510 -3.992 1.474 1.00 0.00 C ATOM 826 C ASN A 57 8.667 -2.730 2.324 1.00 0.00 C ATOM 827 O ASN A 57 9.642 -2.592 3.062 1.00 0.00 O ATOM 828 CB ASN A 57 9.831 -4.237 0.742 1.00 0.00 C ATOM 829 CG ASN A 57 10.557 -5.457 1.314 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.976 -6.505 1.544 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.855 -5.263 1.528 1.00 0.00 N ATOM 0 H ASN A 57 7.651 -3.236 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 57 8.276 -4.857 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.640 -4.388 -0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.468 -3.357 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.428 -6.017 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.278 -4.360 1.313 1.00 0.00 H new ATOM 838 N PHE A 58 7.693 -1.842 2.193 1.00 0.00 N ATOM 839 CA PHE A 58 7.711 -0.596 2.941 1.00 0.00 C ATOM 840 C PHE A 58 6.366 -0.350 3.628 1.00 0.00 C ATOM 841 O PHE A 58 5.956 0.797 3.804 1.00 0.00 O ATOM 842 CB PHE A 58 7.969 0.526 1.934 1.00 0.00 C ATOM 843 CG PHE A 58 9.398 0.556 1.387 1.00 0.00 C ATOM 844 CD1 PHE A 58 9.863 -0.483 0.643 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.203 1.621 1.645 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.189 -0.456 0.136 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.529 1.649 1.138 1.00 0.00 C ATOM 848 CZ PHE A 58 11.994 0.609 0.394 1.00 0.00 C ATOM 0 H PHE A 58 6.886 -1.960 1.580 1.00 0.00 H new ATOM 0 HA PHE A 58 8.481 -0.635 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.274 0.419 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.753 1.483 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.224 -1.329 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.834 2.446 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.558 -1.281 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.168 2.495 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.003 0.629 0.008 1.00 0.00 H new ATOM 858 N ILE A 59 5.718 -1.444 3.998 1.00 0.00 N ATOM 859 CA ILE A 59 4.428 -1.361 4.662 1.00 0.00 C ATOM 860 C ILE A 59 4.345 -2.440 5.743 1.00 0.00 C ATOM 861 O ILE A 59 5.337 -3.107 6.037 1.00 0.00 O ATOM 862 CB ILE A 59 3.293 -1.429 3.638 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.493 -2.600 2.674 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.141 -0.098 2.899 1.00 0.00 C ATOM 865 CD1 ILE A 59 2.879 -3.884 3.236 1.00 0.00 C ATOM 0 H ILE A 59 6.062 -2.393 3.851 1.00 0.00 H new ATOM 0 HA ILE A 59 4.319 -0.399 5.162 1.00 0.00 H new ATOM 0 HB ILE A 59 2.361 -1.609 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.037 -2.366 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.558 -2.750 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.328 -0.173 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.918 0.693 3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.069 0.136 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.035 -4.701 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.354 -4.129 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.810 -3.738 3.392 1.00 0.00 H new ATOM 877 N LYS A 60 3.154 -2.579 6.306 1.00 0.00 N ATOM 878 CA LYS A 60 2.929 -3.566 7.349 1.00 0.00 C ATOM 879 C LYS A 60 1.473 -4.033 7.298 1.00 0.00 C ATOM 880 O LYS A 60 0.568 -3.301 7.696 1.00 0.00 O ATOM 881 CB LYS A 60 3.349 -3.011 8.711 1.00 0.00 C ATOM 882 CG LYS A 60 2.638 -1.689 9.008 1.00 0.00 C ATOM 883 CD LYS A 60 3.163 -1.062 10.301 1.00 0.00 C ATOM 884 CE LYS A 60 3.074 0.464 10.246 1.00 0.00 C ATOM 885 NZ LYS A 60 2.235 0.975 11.354 1.00 0.00 N ATOM 0 H LYS A 60 2.334 -2.025 6.060 1.00 0.00 H new ATOM 0 HA LYS A 60 3.552 -4.445 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.116 -3.736 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.428 -2.859 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.786 -0.998 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.565 -1.860 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.587 -1.433 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.198 -1.364 10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.073 0.895 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.653 0.775 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.185 2.012 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.277 0.578 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.653 0.694 12.264 1.00 0.00 H new ATOM 899 N GLU A 61 1.293 -5.249 6.804 1.00 0.00 N ATOM 900 CA GLU A 61 -0.038 -5.823 6.695 1.00 0.00 C ATOM 901 C GLU A 61 -0.756 -5.757 8.045 1.00 0.00 C ATOM 902 O GLU A 61 -0.128 -5.518 9.075 1.00 0.00 O ATOM 903 CB GLU A 61 0.026 -7.261 6.178 1.00 0.00 C ATOM 904 CG GLU A 61 1.029 -7.387 5.030 1.00 0.00 C ATOM 905 CD GLU A 61 2.310 -8.084 5.495 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.178 -9.049 6.278 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.391 -7.636 5.057 1.00 0.00 O ATOM 0 H GLU A 61 2.046 -5.853 6.475 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.607 -5.237 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.311 -7.931 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.962 -7.573 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.581 -7.950 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.270 -6.397 4.642 1.00 0.00 H new ATOM 914 N LEU A 62 -2.062 -5.974 7.995 1.00 0.00 N ATOM 915 CA LEU A 62 -2.872 -5.942 9.201 1.00 0.00 C ATOM 916 C LEU A 62 -3.955 -7.019 9.112 1.00 0.00 C ATOM 917 O LEU A 62 -4.897 -6.895 8.330 1.00 0.00 O ATOM 918 CB LEU A 62 -3.424 -4.535 9.439 1.00 0.00 C ATOM 919 CG LEU A 62 -2.447 -3.382 9.198 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.190 -2.114 8.770 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.568 -3.143 10.427 1.00 0.00 C ATOM 0 H LEU A 62 -2.579 -6.173 7.139 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.262 -6.173 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.290 -4.392 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.780 -4.475 10.468 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.786 -3.660 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.473 -1.310 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.737 -2.307 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.890 -1.821 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.883 -2.319 10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.197 -2.895 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.997 -4.045 10.647 1.00 0.00 H new ATOM 933 N SER A 63 -3.784 -8.053 9.922 1.00 0.00 N ATOM 934 CA SER A 63 -4.734 -9.152 9.945 1.00 0.00 C ATOM 935 C SER A 63 -5.794 -8.905 11.020 1.00 0.00 C ATOM 936 O SER A 63 -5.604 -9.269 12.180 1.00 0.00 O ATOM 937 CB SER A 63 -4.028 -10.486 10.192 1.00 0.00 C ATOM 938 OG SER A 63 -4.608 -11.546 9.437 1.00 0.00 O ATOM 0 H SER A 63 -3.001 -8.153 10.568 1.00 0.00 H new ATOM 0 HA SER A 63 -5.219 -9.204 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.974 -10.391 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.075 -10.730 11.253 1.00 0.00 H new ATOM 0 HG SER A 63 -4.128 -12.380 9.622 1.00 0.00 H new ATOM 944 N GLY A 64 -6.888 -8.289 10.597 1.00 0.00 N ATOM 945 CA GLY A 64 -7.979 -7.989 11.509 1.00 0.00 C ATOM 946 C GLY A 64 -7.698 -6.709 12.298 1.00 0.00 C ATOM 947 O GLY A 64 -6.612 -6.139 12.197 1.00 0.00 O ATOM 0 H GLY A 64 -7.042 -7.989 9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.907 -7.878 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.121 -8.821 12.198 1.00 0.00 H new ATOM 951 N PRO A 65 -8.721 -6.283 13.085 1.00 0.00 N ATOM 952 CA PRO A 65 -8.595 -5.080 13.891 1.00 0.00 C ATOM 953 C PRO A 65 -7.711 -5.330 15.115 1.00 0.00 C ATOM 954 O PRO A 65 -8.195 -5.779 16.153 1.00 0.00 O ATOM 955 CB PRO A 65 -10.020 -4.699 14.255 1.00 0.00 C ATOM 956 CG PRO A 65 -10.855 -5.950 14.036 1.00 0.00 C ATOM 957 CD PRO A 65 -10.021 -6.932 13.229 1.00 0.00 C ATOM 0 HA PRO A 65 -8.104 -4.266 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.082 -4.364 15.290 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.376 -3.878 13.633 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.143 -6.389 14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.776 -5.706 13.507 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.931 -7.890 13.742 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.474 -7.132 12.258 1.00 0.00 H new ATOM 965 N SER A 66 -6.431 -5.029 14.952 1.00 0.00 N ATOM 966 CA SER A 66 -5.476 -5.215 16.031 1.00 0.00 C ATOM 967 C SER A 66 -4.100 -4.698 15.606 1.00 0.00 C ATOM 968 O SER A 66 -3.625 -5.010 14.515 1.00 0.00 O ATOM 969 CB SER A 66 -5.387 -6.687 16.440 1.00 0.00 C ATOM 970 OG SER A 66 -5.162 -7.539 15.320 1.00 0.00 O ATOM 0 H SER A 66 -6.033 -4.658 14.089 1.00 0.00 H new ATOM 0 HA SER A 66 -5.820 -4.646 16.895 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.580 -6.815 17.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.310 -6.981 16.940 1.00 0.00 H new ATOM 0 HG SER A 66 -5.110 -8.470 15.622 1.00 0.00 H new ATOM 976 N SER A 67 -3.498 -3.917 16.491 1.00 0.00 N ATOM 977 CA SER A 67 -2.186 -3.354 16.222 1.00 0.00 C ATOM 978 C SER A 67 -1.206 -3.758 17.326 1.00 0.00 C ATOM 979 O SER A 67 -1.598 -3.917 18.481 1.00 0.00 O ATOM 980 CB SER A 67 -2.254 -1.830 16.104 1.00 0.00 C ATOM 981 OG SER A 67 -2.536 -1.210 17.356 1.00 0.00 O ATOM 0 H SER A 67 -3.895 -3.661 17.395 1.00 0.00 H new ATOM 0 HA SER A 67 -1.833 -3.750 15.270 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.307 -1.454 15.718 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.024 -1.556 15.382 1.00 0.00 H new ATOM 0 HG SER A 67 -2.570 -0.238 17.239 1.00 0.00 H new ATOM 987 N GLY A 68 0.049 -3.912 16.931 1.00 0.00 N ATOM 988 CA GLY A 68 1.088 -4.294 17.873 1.00 0.00 C ATOM 989 C GLY A 68 0.689 -5.552 18.647 1.00 0.00 C ATOM 990 O GLY A 68 0.615 -5.531 19.875 1.00 0.00 O ATOM 0 H GLY A 68 0.370 -3.779 15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.021 -4.472 17.339 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.271 -3.476 18.570 1.00 0.00 H new TER 994 GLY A 68