USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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+ 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 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.000854 X(o=-0.00085,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.00041) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -104:sc= 0.11 USER MOD Single : A 39 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.01) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -2 F(o=-3!,f=-2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -0.377 (180deg=-1.69!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.011 USER MOD Single : A 66 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 9:sc= 0.183! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 47:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.326 -13.519 -10.754 1.00 0.00 N ATOM 2 CA GLY A 1 16.662 -13.281 -10.241 1.00 0.00 C ATOM 3 C GLY A 1 16.765 -11.977 -9.475 1.00 0.00 C ATOM 4 O GLY A 1 16.029 -11.754 -8.514 1.00 0.00 O ATOM 0 H1 GLY A 1 15.308 -14.422 -11.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.652 -13.558 -9.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.059 -12.747 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.950 -14.106 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.369 -13.269 -11.070 1.00 0.00 H new ATOM 8 N SER A 2 17.683 -11.114 -9.899 1.00 0.00 N ATOM 9 CA SER A 2 17.884 -9.828 -9.242 1.00 0.00 C ATOM 10 C SER A 2 17.663 -8.678 -10.220 1.00 0.00 C ATOM 11 O SER A 2 16.847 -7.789 -9.976 1.00 0.00 O ATOM 12 CB SER A 2 19.293 -9.747 -8.652 1.00 0.00 C ATOM 13 OG SER A 2 19.424 -10.596 -7.525 1.00 0.00 O ATOM 0 H SER A 2 18.299 -11.282 -10.694 1.00 0.00 H new ATOM 0 HA SER A 2 17.155 -9.742 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.025 -10.028 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.511 -8.719 -8.364 1.00 0.00 H new ATOM 0 HG SER A 2 20.334 -10.527 -7.168 1.00 0.00 H new ATOM 19 N SER A 3 18.397 -8.702 -11.328 1.00 0.00 N ATOM 20 CA SER A 3 18.285 -7.661 -12.342 1.00 0.00 C ATOM 21 C SER A 3 16.979 -7.798 -13.120 1.00 0.00 C ATOM 22 O SER A 3 16.450 -8.897 -13.278 1.00 0.00 O ATOM 23 CB SER A 3 19.473 -7.725 -13.303 1.00 0.00 C ATOM 24 OG SER A 3 20.701 -7.601 -12.606 1.00 0.00 O ATOM 0 H SER A 3 19.076 -9.432 -11.546 1.00 0.00 H new ATOM 0 HA SER A 3 18.287 -6.695 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.454 -8.669 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.389 -6.929 -14.043 1.00 0.00 H new ATOM 0 HG SER A 3 21.445 -7.647 -13.243 1.00 0.00 H new ATOM 30 N GLY A 4 16.465 -6.671 -13.604 1.00 0.00 N ATOM 31 CA GLY A 4 15.226 -6.686 -14.359 1.00 0.00 C ATOM 32 C GLY A 4 14.208 -5.699 -13.822 1.00 0.00 C ATOM 33 O GLY A 4 14.549 -4.565 -13.487 1.00 0.00 O ATOM 0 H GLY A 4 16.884 -5.749 -13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.437 -6.454 -15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.802 -7.690 -14.335 1.00 0.00 H new ATOM 37 N SER A 5 12.953 -6.131 -13.741 1.00 0.00 N ATOM 38 CA SER A 5 11.881 -5.276 -13.246 1.00 0.00 C ATOM 39 C SER A 5 12.260 -4.650 -11.907 1.00 0.00 C ATOM 40 O SER A 5 13.173 -5.117 -11.227 1.00 0.00 O ATOM 41 CB SER A 5 10.587 -6.079 -13.098 1.00 0.00 C ATOM 42 OG SER A 5 9.450 -5.248 -13.259 1.00 0.00 O ATOM 0 H SER A 5 12.654 -7.068 -14.012 1.00 0.00 H new ATOM 0 HA SER A 5 11.724 -4.476 -13.970 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.565 -6.879 -13.838 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.559 -6.552 -12.117 1.00 0.00 H new ATOM 0 HG SER A 5 8.636 -5.785 -13.162 1.00 0.00 H new ATOM 48 N SER A 6 11.551 -3.589 -11.536 1.00 0.00 N ATOM 49 CA SER A 6 11.814 -2.894 -10.281 1.00 0.00 C ATOM 50 C SER A 6 10.784 -3.277 -9.222 1.00 0.00 C ATOM 51 O SER A 6 9.739 -3.847 -9.534 1.00 0.00 O ATOM 52 CB SER A 6 11.801 -1.380 -10.498 1.00 0.00 C ATOM 53 OG SER A 6 12.986 -0.947 -11.143 1.00 0.00 O ATOM 0 H SER A 6 10.790 -3.192 -12.087 1.00 0.00 H new ATOM 0 HA SER A 6 12.801 -3.194 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.934 -1.103 -11.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.699 -0.873 -9.539 1.00 0.00 H new ATOM 0 HG SER A 6 12.952 0.024 -11.272 1.00 0.00 H new ATOM 59 N GLY A 7 11.087 -2.957 -7.967 1.00 0.00 N ATOM 60 CA GLY A 7 10.179 -3.274 -6.881 1.00 0.00 C ATOM 61 C GLY A 7 10.445 -2.443 -5.642 1.00 0.00 C ATOM 62 O GLY A 7 11.595 -2.256 -5.248 1.00 0.00 O ATOM 0 H GLY A 7 11.945 -2.484 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.153 -3.111 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.270 -4.331 -6.632 1.00 0.00 H new ATOM 66 N GLN A 8 9.378 -1.941 -5.027 1.00 0.00 N ATOM 67 CA GLN A 8 9.503 -1.123 -3.827 1.00 0.00 C ATOM 68 C GLN A 8 8.552 -1.607 -2.737 1.00 0.00 C ATOM 69 O GLN A 8 7.333 -1.515 -2.877 1.00 0.00 O ATOM 70 CB GLN A 8 9.219 0.344 -4.153 1.00 0.00 C ATOM 71 CG GLN A 8 10.443 1.110 -4.627 1.00 0.00 C ATOM 72 CD GLN A 8 10.088 2.426 -5.290 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.628 3.361 -4.634 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.298 2.506 -6.599 1.00 0.00 N ATOM 0 H GLN A 8 8.418 -2.087 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 8 10.525 -1.215 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.449 0.394 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.816 0.833 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.099 1.301 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.003 0.493 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.681 1.707 -7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.076 3.367 -7.099 1.00 0.00 H new ATOM 83 N TYR A 9 9.119 -2.124 -1.652 1.00 0.00 N ATOM 84 CA TYR A 9 8.322 -2.625 -0.539 1.00 0.00 C ATOM 85 C TYR A 9 8.337 -1.643 0.628 1.00 0.00 C ATOM 86 O TYR A 9 9.399 -1.256 1.116 1.00 0.00 O ATOM 87 CB TYR A 9 8.847 -3.987 -0.081 1.00 0.00 C ATOM 88 CG TYR A 9 9.197 -4.916 -1.221 1.00 0.00 C ATOM 89 CD1 TYR A 9 8.233 -5.316 -2.138 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.492 -5.393 -1.382 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.548 -6.165 -3.181 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.817 -6.242 -2.423 1.00 0.00 C ATOM 93 CZ TYR A 9 9.841 -6.625 -3.320 1.00 0.00 C ATOM 94 OH TYR A 9 10.159 -7.470 -4.358 1.00 0.00 O ATOM 0 H TYR A 9 10.127 -2.207 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 9 7.294 -2.736 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.731 -3.836 0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.095 -4.464 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.220 -4.957 -2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.258 -5.095 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.786 -6.467 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.829 -6.603 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 9 11.111 -7.700 -4.313 1.00 0.00 H new ATOM 104 N PHE A 10 7.150 -1.243 1.072 1.00 0.00 N ATOM 105 CA PHE A 10 7.024 -0.306 2.182 1.00 0.00 C ATOM 106 C PHE A 10 6.278 -0.943 3.351 1.00 0.00 C ATOM 107 O PHE A 10 5.528 -1.903 3.173 1.00 0.00 O ATOM 108 CB PHE A 10 6.296 0.961 1.727 1.00 0.00 C ATOM 109 CG PHE A 10 7.183 1.936 1.007 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.672 1.645 -0.257 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.528 3.143 1.593 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.488 2.540 -0.923 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.343 4.042 0.932 1.00 0.00 C ATOM 114 CZ PHE A 10 8.825 3.740 -0.327 1.00 0.00 C ATOM 0 H PHE A 10 6.261 -1.553 0.680 1.00 0.00 H new ATOM 0 HA PHE A 10 8.027 -0.041 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.471 0.681 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.860 1.452 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.412 0.708 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.156 3.384 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.862 2.302 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.603 4.980 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.464 4.440 -0.844 1.00 0.00 H new ATOM 124 N VAL A 11 6.491 -0.402 4.546 1.00 0.00 N ATOM 125 CA VAL A 11 5.839 -0.916 5.745 1.00 0.00 C ATOM 126 C VAL A 11 4.901 0.123 6.348 1.00 0.00 C ATOM 127 O VAL A 11 5.171 1.322 6.298 1.00 0.00 O ATOM 128 CB VAL A 11 6.871 -1.339 6.807 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.771 -0.169 7.173 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.170 -1.890 8.040 1.00 0.00 C ATOM 0 H VAL A 11 7.110 0.392 4.710 1.00 0.00 H new ATOM 0 HA VAL A 11 5.262 -1.790 5.442 1.00 0.00 H new ATOM 0 HB VAL A 11 7.495 -2.129 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.494 -0.487 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.300 0.175 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.166 0.644 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.914 -2.184 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.521 -1.123 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.572 -2.758 7.761 1.00 0.00 H new ATOM 140 N ALA A 12 3.797 -0.347 6.920 1.00 0.00 N ATOM 141 CA ALA A 12 2.819 0.541 7.537 1.00 0.00 C ATOM 142 C ALA A 12 3.167 0.812 8.997 1.00 0.00 C ATOM 143 O ALA A 12 3.122 -0.090 9.834 1.00 0.00 O ATOM 144 CB ALA A 12 1.423 -0.053 7.427 1.00 0.00 C ATOM 0 H ALA A 12 3.558 -1.337 6.969 1.00 0.00 H new ATOM 0 HA ALA A 12 2.841 1.491 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.703 0.621 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.167 -0.189 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.397 -1.018 7.934 1.00 0.00 H new ATOM 150 N LEU A 13 3.515 2.059 9.295 1.00 0.00 N ATOM 151 CA LEU A 13 3.871 2.449 10.655 1.00 0.00 C ATOM 152 C LEU A 13 2.637 2.498 11.549 1.00 0.00 C ATOM 153 O LEU A 13 2.728 2.309 12.762 1.00 0.00 O ATOM 154 CB LEU A 13 4.565 3.812 10.650 1.00 0.00 C ATOM 155 CG LEU A 13 5.800 3.934 9.756 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.021 5.381 9.345 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.029 3.386 10.467 1.00 0.00 C ATOM 0 H LEU A 13 3.558 2.817 8.614 1.00 0.00 H new ATOM 0 HA LEU A 13 4.556 1.700 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.841 4.565 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.856 4.053 11.672 1.00 0.00 H new ATOM 0 HG LEU A 13 5.632 3.344 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.904 5.448 8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.151 5.740 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.167 5.994 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.898 3.481 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.200 3.949 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.871 2.335 10.710 1.00 0.00 H new ATOM 169 N PHE A 14 1.482 2.749 10.942 1.00 0.00 N ATOM 170 CA PHE A 14 0.228 2.821 11.683 1.00 0.00 C ATOM 171 C PHE A 14 -0.928 2.274 10.850 1.00 0.00 C ATOM 172 O PHE A 14 -0.782 2.028 9.652 1.00 0.00 O ATOM 173 CB PHE A 14 -0.064 4.265 12.094 1.00 0.00 C ATOM 174 CG PHE A 14 1.143 4.998 12.607 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.063 5.544 11.728 1.00 0.00 C ATOM 176 CD2 PHE A 14 1.355 5.140 13.969 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.175 6.218 12.198 1.00 0.00 C ATOM 178 CE2 PHE A 14 2.465 5.814 14.445 1.00 0.00 C ATOM 179 CZ PHE A 14 3.375 6.354 13.558 1.00 0.00 C ATOM 0 H PHE A 14 1.388 2.906 9.939 1.00 0.00 H new ATOM 0 HA PHE A 14 0.329 2.209 12.579 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.469 4.803 11.237 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.835 4.266 12.865 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.910 5.442 10.664 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.646 4.720 14.667 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.887 6.638 11.502 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.620 5.918 15.509 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.242 6.882 13.927 1.00 0.00 H new ATOM 189 N ASP A 15 -2.075 2.085 11.493 1.00 0.00 N ATOM 190 CA ASP A 15 -3.256 1.568 10.813 1.00 0.00 C ATOM 191 C ASP A 15 -4.044 2.697 10.157 1.00 0.00 C ATOM 192 O ASP A 15 -4.121 3.805 10.689 1.00 0.00 O ATOM 193 CB ASP A 15 -4.149 0.812 11.799 1.00 0.00 C ATOM 194 CG ASP A 15 -4.491 1.641 13.022 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.703 1.623 13.990 1.00 0.00 O ATOM 196 OD2 ASP A 15 -5.547 2.307 13.010 1.00 0.00 O ATOM 0 H ASP A 15 -2.212 2.282 12.484 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.924 0.881 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.069 0.514 11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.646 -0.103 12.113 1.00 0.00 H new ATOM 201 N TYR A 16 -4.627 2.410 8.999 1.00 0.00 N ATOM 202 CA TYR A 16 -5.407 3.403 8.268 1.00 0.00 C ATOM 203 C TYR A 16 -6.732 2.814 7.795 1.00 0.00 C ATOM 204 O TYR A 16 -6.820 1.628 7.480 1.00 0.00 O ATOM 205 CB TYR A 16 -4.612 3.925 7.070 1.00 0.00 C ATOM 206 CG TYR A 16 -5.465 4.622 6.035 1.00 0.00 C ATOM 207 CD1 TYR A 16 -6.053 3.910 4.997 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.682 5.993 6.095 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.832 4.543 4.048 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.462 6.634 5.151 1.00 0.00 C ATOM 211 CZ TYR A 16 -7.034 5.905 4.130 1.00 0.00 C ATOM 212 OH TYR A 16 -7.810 6.541 3.187 1.00 0.00 O ATOM 0 H TYR A 16 -4.575 1.498 8.546 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.619 4.231 8.944 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.848 4.617 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.092 3.091 6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.898 2.843 4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.234 6.567 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.280 3.975 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.623 7.700 5.213 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.852 7.499 3.390 1.00 0.00 H new ATOM 222 N GLN A 17 -7.762 3.654 7.748 1.00 0.00 N ATOM 223 CA GLN A 17 -9.084 3.218 7.314 1.00 0.00 C ATOM 224 C GLN A 17 -9.515 3.960 6.054 1.00 0.00 C ATOM 225 O GLN A 17 -9.599 5.188 6.043 1.00 0.00 O ATOM 226 CB GLN A 17 -10.109 3.440 8.428 1.00 0.00 C ATOM 227 CG GLN A 17 -11.534 3.111 8.017 1.00 0.00 C ATOM 228 CD GLN A 17 -12.536 3.369 9.125 1.00 0.00 C ATOM 229 OE1 GLN A 17 -13.470 4.155 8.962 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.346 2.708 10.261 1.00 0.00 N ATOM 0 H GLN A 17 -7.706 4.639 8.005 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.031 2.153 7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.837 2.828 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.064 4.480 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.803 3.706 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.589 2.064 7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.558 2.066 10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.988 2.842 11.042 1.00 0.00 H new ATOM 239 N ALA A 18 -9.786 3.207 4.993 1.00 0.00 N ATOM 240 CA ALA A 18 -10.211 3.794 3.728 1.00 0.00 C ATOM 241 C ALA A 18 -11.514 4.569 3.892 1.00 0.00 C ATOM 242 O ALA A 18 -12.530 4.011 4.307 1.00 0.00 O ATOM 243 CB ALA A 18 -10.367 2.711 2.670 1.00 0.00 C ATOM 0 H ALA A 18 -9.719 2.189 4.984 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.441 4.495 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.685 3.163 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.413 2.204 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.115 1.989 2.996 1.00 0.00 H new ATOM 249 N ARG A 19 -11.477 5.856 3.564 1.00 0.00 N ATOM 250 CA ARG A 19 -12.655 6.708 3.677 1.00 0.00 C ATOM 251 C ARG A 19 -13.598 6.491 2.497 1.00 0.00 C ATOM 252 O ARG A 19 -14.804 6.322 2.675 1.00 0.00 O ATOM 253 CB ARG A 19 -12.242 8.179 3.751 1.00 0.00 C ATOM 254 CG ARG A 19 -11.692 8.590 5.106 1.00 0.00 C ATOM 255 CD ARG A 19 -12.809 8.888 6.094 1.00 0.00 C ATOM 256 NE ARG A 19 -12.293 9.274 7.404 1.00 0.00 N ATOM 257 CZ ARG A 19 -13.062 9.468 8.469 1.00 0.00 C ATOM 258 NH1 ARG A 19 -14.376 9.313 8.379 1.00 0.00 N ATOM 259 NH2 ARG A 19 -12.518 9.818 9.628 1.00 0.00 N ATOM 0 H ARG A 19 -10.644 6.332 3.218 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.180 6.439 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.489 8.375 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.105 8.802 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.059 7.794 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.061 9.472 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.436 9.688 5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.444 8.008 6.199 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.286 9.402 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.798 9.044 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.964 9.463 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.508 9.938 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.110 9.967 10.445 1.00 0.00 H new ATOM 273 N THR A 20 -13.039 6.498 1.291 1.00 0.00 N ATOM 274 CA THR A 20 -13.829 6.304 0.082 1.00 0.00 C ATOM 275 C THR A 20 -13.453 5.002 -0.617 1.00 0.00 C ATOM 276 O THR A 20 -12.600 4.255 -0.141 1.00 0.00 O ATOM 277 CB THR A 20 -13.645 7.474 -0.903 1.00 0.00 C ATOM 278 OG1 THR A 20 -12.255 7.650 -1.200 1.00 0.00 O ATOM 279 CG2 THR A 20 -14.213 8.761 -0.325 1.00 0.00 C ATOM 0 H THR A 20 -12.042 6.636 1.126 1.00 0.00 H new ATOM 0 HA THR A 20 -14.874 6.259 0.390 1.00 0.00 H new ATOM 0 HB THR A 20 -14.184 7.237 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.146 8.394 -1.828 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.072 9.573 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.277 8.633 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.698 9.001 0.605 1.00 0.00 H new ATOM 287 N ALA A 21 -14.096 4.738 -1.750 1.00 0.00 N ATOM 288 CA ALA A 21 -13.826 3.527 -2.517 1.00 0.00 C ATOM 289 C ALA A 21 -12.718 3.759 -3.538 1.00 0.00 C ATOM 290 O ALA A 21 -12.749 3.206 -4.637 1.00 0.00 O ATOM 291 CB ALA A 21 -15.094 3.049 -3.210 1.00 0.00 C ATOM 0 H ALA A 21 -14.807 5.346 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.489 2.755 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.879 2.145 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.858 2.834 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.454 3.825 -3.885 1.00 0.00 H new ATOM 297 N GLU A 22 -11.740 4.580 -3.167 1.00 0.00 N ATOM 298 CA GLU A 22 -10.623 4.886 -4.053 1.00 0.00 C ATOM 299 C GLU A 22 -9.292 4.565 -3.379 1.00 0.00 C ATOM 300 O GLU A 22 -8.318 4.209 -4.043 1.00 0.00 O ATOM 301 CB GLU A 22 -10.657 6.359 -4.464 1.00 0.00 C ATOM 302 CG GLU A 22 -11.621 6.651 -5.602 1.00 0.00 C ATOM 303 CD GLU A 22 -11.047 6.293 -6.959 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.203 7.059 -7.468 1.00 0.00 O ATOM 305 OE2 GLU A 22 -11.442 5.245 -7.511 1.00 0.00 O ATOM 0 H GLU A 22 -11.699 5.045 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.719 4.266 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.935 6.962 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.655 6.668 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.544 6.093 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.882 7.709 -5.590 1.00 0.00 H new ATOM 312 N ASP A 23 -9.258 4.694 -2.058 1.00 0.00 N ATOM 313 CA ASP A 23 -8.047 4.418 -1.293 1.00 0.00 C ATOM 314 C ASP A 23 -8.082 3.009 -0.710 1.00 0.00 C ATOM 315 O ASP A 23 -9.154 2.449 -0.476 1.00 0.00 O ATOM 316 CB ASP A 23 -7.882 5.444 -0.171 1.00 0.00 C ATOM 317 CG ASP A 23 -7.646 6.845 -0.698 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.522 7.121 -1.169 1.00 0.00 O ATOM 319 OD2 ASP A 23 -8.584 7.667 -0.640 1.00 0.00 O ATOM 0 H ASP A 23 -10.055 4.988 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.195 4.491 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.774 5.440 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.046 5.152 0.464 1.00 0.00 H new ATOM 324 N LEU A 24 -6.904 2.440 -0.478 1.00 0.00 N ATOM 325 CA LEU A 24 -6.800 1.095 0.078 1.00 0.00 C ATOM 326 C LEU A 24 -6.608 1.144 1.590 1.00 0.00 C ATOM 327 O LEU A 24 -5.995 2.072 2.119 1.00 0.00 O ATOM 328 CB LEU A 24 -5.636 0.343 -0.571 1.00 0.00 C ATOM 329 CG LEU A 24 -5.506 -1.136 -0.205 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.334 -1.994 -1.148 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.046 -1.565 -0.233 1.00 0.00 C ATOM 0 H LEU A 24 -6.008 2.889 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.730 0.567 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.737 0.421 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.708 0.847 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.886 -1.275 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.229 -3.043 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.382 -1.704 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.985 -1.851 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.972 -2.620 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.641 -1.411 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.479 -0.972 0.484 1.00 0.00 H new ATOM 343 N SER A 25 -7.135 0.138 2.281 1.00 0.00 N ATOM 344 CA SER A 25 -7.023 0.067 3.733 1.00 0.00 C ATOM 345 C SER A 25 -5.883 -0.859 4.146 1.00 0.00 C ATOM 346 O SER A 25 -5.489 -1.751 3.394 1.00 0.00 O ATOM 347 CB SER A 25 -8.338 -0.422 4.344 1.00 0.00 C ATOM 348 OG SER A 25 -8.754 -1.639 3.751 1.00 0.00 O ATOM 0 H SER A 25 -7.644 -0.639 1.859 1.00 0.00 H new ATOM 0 HA SER A 25 -6.807 1.069 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.214 -0.561 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.110 0.335 4.207 1.00 0.00 H new ATOM 0 HG SER A 25 -9.595 -1.931 4.160 1.00 0.00 H new ATOM 354 N PHE A 26 -5.356 -0.640 5.346 1.00 0.00 N ATOM 355 CA PHE A 26 -4.260 -1.454 5.860 1.00 0.00 C ATOM 356 C PHE A 26 -4.096 -1.258 7.364 1.00 0.00 C ATOM 357 O PHE A 26 -4.767 -0.421 7.968 1.00 0.00 O ATOM 358 CB PHE A 26 -2.955 -1.100 5.143 1.00 0.00 C ATOM 359 CG PHE A 26 -2.649 0.370 5.145 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.263 1.221 4.241 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.746 0.901 6.053 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.983 2.575 4.241 1.00 0.00 C ATOM 363 CE2 PHE A 26 -1.463 2.254 6.058 1.00 0.00 C ATOM 364 CZ PHE A 26 -2.081 3.092 5.150 1.00 0.00 C ATOM 0 H PHE A 26 -5.670 0.094 5.981 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.498 -2.501 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.132 -1.635 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.010 -1.450 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.969 0.822 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.258 0.251 6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.469 3.228 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.759 2.656 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.859 4.149 5.151 1.00 0.00 H new ATOM 374 N ARG A 27 -3.200 -2.036 7.962 1.00 0.00 N ATOM 375 CA ARG A 27 -2.948 -1.950 9.395 1.00 0.00 C ATOM 376 C ARG A 27 -1.460 -1.764 9.676 1.00 0.00 C ATOM 377 O ARG A 27 -0.626 -1.918 8.784 1.00 0.00 O ATOM 378 CB ARG A 27 -3.458 -3.208 10.100 1.00 0.00 C ATOM 379 CG ARG A 27 -4.970 -3.359 10.060 1.00 0.00 C ATOM 380 CD ARG A 27 -5.487 -4.115 11.274 1.00 0.00 C ATOM 381 NE ARG A 27 -5.107 -5.525 11.244 1.00 0.00 N ATOM 382 CZ ARG A 27 -5.364 -6.377 12.230 1.00 0.00 C ATOM 383 NH1 ARG A 27 -5.999 -5.964 13.318 1.00 0.00 N ATOM 384 NH2 ARG A 27 -4.987 -7.645 12.128 1.00 0.00 N ATOM 0 H ARG A 27 -2.636 -2.733 7.476 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.484 -1.083 9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.002 -4.083 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.131 -3.189 11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.434 -2.374 10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.260 -3.886 9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.097 -3.654 12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.573 -4.033 11.316 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.617 -5.875 10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.291 -4.990 13.399 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.195 -6.620 14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.499 -7.966 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.185 -8.298 12.886 1.00 0.00 H new ATOM 398 N ALA A 28 -1.135 -1.432 10.921 1.00 0.00 N ATOM 399 CA ALA A 28 0.252 -1.227 11.320 1.00 0.00 C ATOM 400 C ALA A 28 1.064 -2.508 11.161 1.00 0.00 C ATOM 401 O ALA A 28 0.831 -3.493 11.860 1.00 0.00 O ATOM 402 CB ALA A 28 0.321 -0.731 12.756 1.00 0.00 C ATOM 0 H ALA A 28 -1.814 -1.299 11.671 1.00 0.00 H new ATOM 0 HA ALA A 28 0.684 -0.470 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.363 -0.582 13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.216 0.213 12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.134 -1.468 13.418 1.00 0.00 H new ATOM 408 N GLY A 29 2.019 -2.487 10.235 1.00 0.00 N ATOM 409 CA GLY A 29 2.850 -3.653 10.001 1.00 0.00 C ATOM 410 C GLY A 29 2.350 -4.500 8.848 1.00 0.00 C ATOM 411 O GLY A 29 2.515 -5.720 8.848 1.00 0.00 O ATOM 0 H GLY A 29 2.231 -1.684 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.871 -3.332 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.882 -4.260 10.906 1.00 0.00 H new ATOM 415 N ASP A 30 1.735 -3.853 7.865 1.00 0.00 N ATOM 416 CA ASP A 30 1.207 -4.555 6.700 1.00 0.00 C ATOM 417 C ASP A 30 2.108 -4.348 5.487 1.00 0.00 C ATOM 418 O ASP A 30 2.351 -3.217 5.066 1.00 0.00 O ATOM 419 CB ASP A 30 -0.210 -4.074 6.387 1.00 0.00 C ATOM 420 CG ASP A 30 -1.263 -4.811 7.190 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.080 -4.954 8.417 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.270 -5.246 6.592 1.00 0.00 O ATOM 0 H ASP A 30 1.589 -2.844 7.851 1.00 0.00 H new ATOM 0 HA ASP A 30 1.178 -5.620 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.282 -3.006 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.409 -4.207 5.324 1.00 0.00 H new ATOM 427 N LYS A 31 2.602 -5.448 4.929 1.00 0.00 N ATOM 428 CA LYS A 31 3.477 -5.389 3.763 1.00 0.00 C ATOM 429 C LYS A 31 2.716 -4.895 2.537 1.00 0.00 C ATOM 430 O LYS A 31 1.754 -5.525 2.095 1.00 0.00 O ATOM 431 CB LYS A 31 4.079 -6.768 3.482 1.00 0.00 C ATOM 432 CG LYS A 31 5.003 -7.264 4.580 1.00 0.00 C ATOM 433 CD LYS A 31 6.360 -6.583 4.518 1.00 0.00 C ATOM 434 CE LYS A 31 7.170 -6.837 5.779 1.00 0.00 C ATOM 435 NZ LYS A 31 7.907 -8.130 5.714 1.00 0.00 N ATOM 0 H LYS A 31 2.411 -6.392 5.265 1.00 0.00 H new ATOM 0 HA LYS A 31 4.281 -4.685 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.271 -7.487 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.632 -6.729 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.546 -7.079 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.132 -8.342 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.911 -6.947 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.224 -5.510 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.879 -6.022 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.505 -6.841 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.447 -8.266 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.229 -8.911 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.560 -8.117 4.905 1.00 0.00 H new ATOM 449 N LEU A 32 3.153 -3.766 1.991 1.00 0.00 N ATOM 450 CA LEU A 32 2.514 -3.188 0.814 1.00 0.00 C ATOM 451 C LEU A 32 3.554 -2.782 -0.226 1.00 0.00 C ATOM 452 O LEU A 32 4.560 -2.153 0.102 1.00 0.00 O ATOM 453 CB LEU A 32 1.673 -1.974 1.211 1.00 0.00 C ATOM 454 CG LEU A 32 0.536 -2.239 2.199 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.155 -0.961 2.930 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.671 -2.823 1.479 1.00 0.00 C ATOM 0 H LEU A 32 3.947 -3.232 2.344 1.00 0.00 H new ATOM 0 HA LEU A 32 1.864 -3.945 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.335 -1.224 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.247 -1.540 0.306 1.00 0.00 H new ATOM 0 HG LEU A 32 0.882 -2.965 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.655 -1.169 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.019 -0.584 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.172 -0.212 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.470 -3.005 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.018 -2.120 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.391 -3.762 1.002 1.00 0.00 H new ATOM 468 N GLN A 33 3.302 -3.145 -1.479 1.00 0.00 N ATOM 469 CA GLN A 33 4.216 -2.817 -2.567 1.00 0.00 C ATOM 470 C GLN A 33 3.731 -1.592 -3.336 1.00 0.00 C ATOM 471 O GLN A 33 2.645 -1.600 -3.915 1.00 0.00 O ATOM 472 CB GLN A 33 4.359 -4.007 -3.518 1.00 0.00 C ATOM 473 CG GLN A 33 5.330 -3.759 -4.661 1.00 0.00 C ATOM 474 CD GLN A 33 5.328 -4.880 -5.681 1.00 0.00 C ATOM 475 OE1 GLN A 33 5.439 -6.055 -5.330 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.202 -4.523 -6.954 1.00 0.00 N ATOM 0 H GLN A 33 2.473 -3.666 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 33 5.189 -2.589 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.692 -4.876 -2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.380 -4.252 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.072 -2.822 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.336 -3.640 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.113 -3.537 -7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.195 -5.234 -7.685 1.00 0.00 H new ATOM 485 N VAL A 34 4.543 -0.540 -3.336 1.00 0.00 N ATOM 486 CA VAL A 34 4.196 0.693 -4.034 1.00 0.00 C ATOM 487 C VAL A 34 4.355 0.534 -5.542 1.00 0.00 C ATOM 488 O VAL A 34 5.451 0.268 -6.037 1.00 0.00 O ATOM 489 CB VAL A 34 5.067 1.871 -3.558 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.892 3.070 -4.478 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.729 2.237 -2.121 1.00 0.00 C ATOM 0 H VAL A 34 5.445 -0.516 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 34 3.152 0.906 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 34 6.113 1.565 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.515 3.892 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.189 2.798 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.847 3.380 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.354 3.071 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.680 2.524 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.911 1.379 -1.474 1.00 0.00 H new ATOM 501 N LEU A 35 3.255 0.699 -6.267 1.00 0.00 N ATOM 502 CA LEU A 35 3.271 0.574 -7.721 1.00 0.00 C ATOM 503 C LEU A 35 3.385 1.943 -8.383 1.00 0.00 C ATOM 504 O LEU A 35 4.294 2.185 -9.178 1.00 0.00 O ATOM 505 CB LEU A 35 2.006 -0.136 -8.206 1.00 0.00 C ATOM 506 CG LEU A 35 1.587 -1.376 -7.415 1.00 0.00 C ATOM 507 CD1 LEU A 35 0.080 -1.564 -7.477 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.303 -2.611 -7.942 1.00 0.00 C ATOM 0 H LEU A 35 2.341 0.920 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 35 4.142 -0.019 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.183 0.578 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.152 -0.426 -9.247 1.00 0.00 H new ATOM 0 HG LEU A 35 1.872 -1.233 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.200 -2.451 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.413 -0.690 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.229 -1.686 -8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.993 -3.484 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.049 -2.758 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.380 -2.476 -7.845 1.00 0.00 H new ATOM 520 N ASP A 36 2.459 2.835 -8.049 1.00 0.00 N ATOM 521 CA ASP A 36 2.458 4.182 -8.609 1.00 0.00 C ATOM 522 C ASP A 36 2.885 5.206 -7.563 1.00 0.00 C ATOM 523 O ASP A 36 2.412 5.183 -6.426 1.00 0.00 O ATOM 524 CB ASP A 36 1.069 4.532 -9.147 1.00 0.00 C ATOM 525 CG ASP A 36 1.122 5.558 -10.262 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.140 5.597 -10.985 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.145 6.320 -10.413 1.00 0.00 O ATOM 0 H ASP A 36 1.700 2.650 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 36 3.175 4.208 -9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.586 3.626 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.453 4.915 -8.333 1.00 0.00 H new ATOM 532 N THR A 37 3.784 6.104 -7.953 1.00 0.00 N ATOM 533 CA THR A 37 4.277 7.135 -7.049 1.00 0.00 C ATOM 534 C THR A 37 4.213 8.513 -7.698 1.00 0.00 C ATOM 535 O THR A 37 5.066 9.366 -7.454 1.00 0.00 O ATOM 536 CB THR A 37 5.728 6.854 -6.613 1.00 0.00 C ATOM 537 OG1 THR A 37 6.493 6.386 -7.730 1.00 0.00 O ATOM 538 CG2 THR A 37 5.766 5.821 -5.497 1.00 0.00 C ATOM 0 H THR A 37 4.186 6.138 -8.890 1.00 0.00 H new ATOM 0 HA THR A 37 3.631 7.119 -6.171 1.00 0.00 H new ATOM 0 HB THR A 37 6.160 7.783 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.414 6.211 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.800 5.638 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.207 6.192 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.318 4.891 -5.847 1.00 0.00 H new ATOM 546 N SER A 38 3.194 8.725 -8.526 1.00 0.00 N ATOM 547 CA SER A 38 3.020 9.999 -9.213 1.00 0.00 C ATOM 548 C SER A 38 2.782 11.127 -8.214 1.00 0.00 C ATOM 549 O SER A 38 3.618 12.018 -8.055 1.00 0.00 O ATOM 550 CB SER A 38 1.850 9.917 -10.195 1.00 0.00 C ATOM 551 OG SER A 38 0.688 9.408 -9.563 1.00 0.00 O ATOM 0 H SER A 38 2.477 8.031 -8.737 1.00 0.00 H new ATOM 0 HA SER A 38 3.935 10.214 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.643 10.907 -10.602 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.121 9.277 -11.035 1.00 0.00 H new ATOM 0 HG SER A 38 0.547 8.478 -9.837 1.00 0.00 H new ATOM 557 N HIS A 39 1.636 11.082 -7.542 1.00 0.00 N ATOM 558 CA HIS A 39 1.287 12.099 -6.557 1.00 0.00 C ATOM 559 C HIS A 39 2.286 12.104 -5.404 1.00 0.00 C ATOM 560 O HIS A 39 2.684 11.049 -4.912 1.00 0.00 O ATOM 561 CB HIS A 39 -0.125 11.859 -6.023 1.00 0.00 C ATOM 562 CG HIS A 39 -0.825 13.113 -5.595 1.00 0.00 C ATOM 563 ND1 HIS A 39 -2.123 13.410 -5.954 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.401 14.147 -4.832 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.466 14.574 -5.432 1.00 0.00 C ATOM 566 NE2 HIS A 39 -1.439 15.042 -4.746 1.00 0.00 N ATOM 0 H HIS A 39 0.934 10.352 -7.662 1.00 0.00 H new ATOM 0 HA HIS A 39 1.321 13.072 -7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.718 11.367 -6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.073 11.175 -5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.572 14.249 -4.376 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.423 15.060 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.420 15.925 -4.235 1.00 0.00 H new ATOM 575 N GLU A 40 2.685 13.298 -4.978 1.00 0.00 N ATOM 576 CA GLU A 40 3.639 13.439 -3.883 1.00 0.00 C ATOM 577 C GLU A 40 2.949 13.256 -2.535 1.00 0.00 C ATOM 578 O GLU A 40 3.095 14.082 -1.634 1.00 0.00 O ATOM 579 CB GLU A 40 4.317 14.809 -3.941 1.00 0.00 C ATOM 580 CG GLU A 40 5.538 14.922 -3.044 1.00 0.00 C ATOM 581 CD GLU A 40 6.530 13.797 -3.266 1.00 0.00 C ATOM 582 OE1 GLU A 40 6.868 13.525 -4.437 1.00 0.00 O ATOM 583 OE2 GLU A 40 6.970 13.189 -2.267 1.00 0.00 O ATOM 0 H GLU A 40 2.363 14.181 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 40 4.397 12.663 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.612 15.016 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.595 15.575 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.031 15.877 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.220 14.921 -2.001 1.00 0.00 H new ATOM 590 N GLY A 41 2.196 12.168 -2.404 1.00 0.00 N ATOM 591 CA GLY A 41 1.495 11.896 -1.163 1.00 0.00 C ATOM 592 C GLY A 41 0.758 10.572 -1.191 1.00 0.00 C ATOM 593 O GLY A 41 0.874 9.769 -0.266 1.00 0.00 O ATOM 0 H GLY A 41 2.059 11.470 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.209 11.893 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.785 12.699 -0.967 1.00 0.00 H new ATOM 597 N TRP A 42 -0.004 10.344 -2.255 1.00 0.00 N ATOM 598 CA TRP A 42 -0.765 9.108 -2.399 1.00 0.00 C ATOM 599 C TRP A 42 -0.080 8.158 -3.375 1.00 0.00 C ATOM 600 O TRP A 42 0.269 8.545 -4.490 1.00 0.00 O ATOM 601 CB TRP A 42 -2.186 9.412 -2.877 1.00 0.00 C ATOM 602 CG TRP A 42 -2.989 10.201 -1.887 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.111 11.560 -1.829 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.779 9.679 -0.814 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.930 11.914 -0.784 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.353 10.778 -0.146 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.059 8.390 -0.353 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.188 10.625 0.957 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.888 8.239 0.742 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.445 9.351 1.387 1.00 0.00 C ATOM 0 H TRP A 42 -0.111 10.998 -3.030 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.813 8.625 -1.423 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.136 9.964 -3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.700 8.474 -3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.634 12.254 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.182 12.868 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.635 7.527 -0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.618 11.481 1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.110 7.247 1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.090 9.200 2.240 1.00 0.00 H new ATOM 621 N TRP A 43 0.109 6.914 -2.949 1.00 0.00 N ATOM 622 CA TRP A 43 0.753 5.909 -3.787 1.00 0.00 C ATOM 623 C TRP A 43 -0.163 4.708 -3.998 1.00 0.00 C ATOM 624 O TRP A 43 -0.882 4.296 -3.087 1.00 0.00 O ATOM 625 CB TRP A 43 2.070 5.457 -3.155 1.00 0.00 C ATOM 626 CG TRP A 43 3.102 6.542 -3.091 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.133 7.688 -3.833 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.253 6.581 -2.240 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.234 8.438 -3.494 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.936 7.781 -2.519 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.771 5.721 -1.268 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.110 8.139 -1.861 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.936 6.078 -0.617 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.595 7.278 -0.914 1.00 0.00 C ATOM 0 H TRP A 43 -0.174 6.577 -2.029 1.00 0.00 H new ATOM 0 HA TRP A 43 0.960 6.359 -4.758 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.874 5.092 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.470 4.619 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.400 7.964 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.487 9.338 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.270 4.794 -1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.620 9.063 -2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.346 5.420 0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.503 7.529 -0.386 1.00 0.00 H new ATOM 645 N LEU A 44 -0.132 4.151 -5.203 1.00 0.00 N ATOM 646 CA LEU A 44 -0.960 2.996 -5.533 1.00 0.00 C ATOM 647 C LEU A 44 -0.219 1.694 -5.245 1.00 0.00 C ATOM 648 O LEU A 44 0.648 1.279 -6.014 1.00 0.00 O ATOM 649 CB LEU A 44 -1.375 3.045 -7.004 1.00 0.00 C ATOM 650 CG LEU A 44 -2.099 1.809 -7.539 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.495 1.708 -6.945 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.166 1.846 -9.059 1.00 0.00 C ATOM 0 H LEU A 44 0.457 4.480 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.853 3.030 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.021 3.911 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.482 3.208 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.535 0.925 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.994 0.822 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.424 1.633 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.069 2.596 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.685 0.959 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.706 2.738 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.156 1.868 -9.467 1.00 0.00 H new ATOM 664 N ALA A 45 -0.568 1.054 -4.134 1.00 0.00 N ATOM 665 CA ALA A 45 0.062 -0.203 -3.747 1.00 0.00 C ATOM 666 C ALA A 45 -0.941 -1.351 -3.779 1.00 0.00 C ATOM 667 O ALA A 45 -2.148 -1.131 -3.875 1.00 0.00 O ATOM 668 CB ALA A 45 0.681 -0.079 -2.363 1.00 0.00 C ATOM 0 H ALA A 45 -1.283 1.385 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 45 0.850 -0.423 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.148 -1.025 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.434 0.709 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.095 0.168 -1.638 1.00 0.00 H new ATOM 674 N ARG A 46 -0.432 -2.577 -3.700 1.00 0.00 N ATOM 675 CA ARG A 46 -1.284 -3.760 -3.722 1.00 0.00 C ATOM 676 C ARG A 46 -0.973 -4.675 -2.542 1.00 0.00 C ATOM 677 O ARG A 46 0.187 -4.851 -2.167 1.00 0.00 O ATOM 678 CB ARG A 46 -1.098 -4.523 -5.035 1.00 0.00 C ATOM 679 CG ARG A 46 0.237 -5.242 -5.139 1.00 0.00 C ATOM 680 CD ARG A 46 0.270 -6.186 -6.331 1.00 0.00 C ATOM 681 NE ARG A 46 -0.209 -7.521 -5.984 1.00 0.00 N ATOM 682 CZ ARG A 46 -0.395 -8.489 -6.875 1.00 0.00 C ATOM 683 NH1 ARG A 46 -0.143 -8.271 -8.158 1.00 0.00 N ATOM 684 NH2 ARG A 46 -0.834 -9.678 -6.482 1.00 0.00 N ATOM 0 H ARG A 46 0.565 -2.776 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.321 -3.433 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.902 -5.251 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.191 -3.825 -5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.039 -4.510 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.421 -5.804 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.344 -5.778 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.289 -6.254 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.412 -7.721 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.195 -7.358 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.287 -9.016 -8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.029 -9.849 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.977 -10.421 -7.166 1.00 0.00 H new ATOM 698 N HIS A 47 -2.018 -5.256 -1.959 1.00 0.00 N ATOM 699 CA HIS A 47 -1.857 -6.153 -0.820 1.00 0.00 C ATOM 700 C HIS A 47 -0.998 -7.357 -1.195 1.00 0.00 C ATOM 701 O HIS A 47 -1.267 -8.042 -2.182 1.00 0.00 O ATOM 702 CB HIS A 47 -3.222 -6.623 -0.317 1.00 0.00 C ATOM 703 CG HIS A 47 -3.820 -5.722 0.719 1.00 0.00 C ATOM 704 ND1 HIS A 47 -4.784 -4.777 0.621 1.00 0.00 N flip ATOM 705 CD2 HIS A 47 -3.432 -5.735 2.042 1.00 0.00 C flip ATOM 706 CE1 HIS A 47 -4.959 -4.242 1.874 1.00 0.00 C flip ATOM 707 NE2 HIS A 47 -4.131 -4.838 2.713 1.00 0.00 N flip ATOM 0 H HIS A 47 -2.984 -5.121 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.355 -5.603 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.906 -6.696 -1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.121 -7.625 0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.674 -6.379 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.659 -3.461 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.046 -4.639 3.710 1.00 0.00 H new ATOM 716 N LEU A 48 0.037 -7.609 -0.401 1.00 0.00 N ATOM 717 CA LEU A 48 0.937 -8.730 -0.649 1.00 0.00 C ATOM 718 C LEU A 48 0.630 -9.893 0.289 1.00 0.00 C ATOM 719 O LEU A 48 0.694 -11.056 -0.108 1.00 0.00 O ATOM 720 CB LEU A 48 2.392 -8.290 -0.476 1.00 0.00 C ATOM 721 CG LEU A 48 2.793 -7.001 -1.194 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.967 -6.340 -0.488 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.136 -7.286 -2.649 1.00 0.00 C ATOM 0 H LEU A 48 0.274 -7.052 0.420 1.00 0.00 H new ATOM 0 HA LEU A 48 0.785 -9.065 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.589 -8.165 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.038 -9.094 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 48 1.946 -6.315 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.239 -5.424 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.687 -6.101 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.818 -7.021 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.419 -6.357 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.967 -7.990 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.268 -7.715 -3.150 1.00 0.00 H new ATOM 735 N GLU A 49 0.295 -9.569 1.534 1.00 0.00 N ATOM 736 CA GLU A 49 -0.023 -10.588 2.528 1.00 0.00 C ATOM 737 C GLU A 49 -1.265 -11.375 2.122 1.00 0.00 C ATOM 738 O GLU A 49 -2.247 -10.806 1.644 1.00 0.00 O ATOM 739 CB GLU A 49 -0.240 -9.944 3.899 1.00 0.00 C ATOM 740 CG GLU A 49 1.047 -9.498 4.573 1.00 0.00 C ATOM 741 CD GLU A 49 0.953 -9.522 6.086 1.00 0.00 C ATOM 742 OE1 GLU A 49 1.122 -10.612 6.673 1.00 0.00 O ATOM 743 OE2 GLU A 49 0.709 -8.453 6.683 1.00 0.00 O ATOM 0 H GLU A 49 0.237 -8.611 1.878 1.00 0.00 H new ATOM 0 HA GLU A 49 0.820 -11.277 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.898 -9.083 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.753 -10.654 4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.863 -10.146 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.294 -8.488 4.244 1.00 0.00 H new ATOM 750 N LYS A 50 -1.214 -12.689 2.313 1.00 0.00 N ATOM 751 CA LYS A 50 -2.334 -13.557 1.968 1.00 0.00 C ATOM 752 C LYS A 50 -3.341 -13.627 3.112 1.00 0.00 C ATOM 753 O LYS A 50 -3.003 -14.026 4.227 1.00 0.00 O ATOM 754 CB LYS A 50 -1.831 -14.962 1.630 1.00 0.00 C ATOM 755 CG LYS A 50 -2.707 -15.698 0.631 1.00 0.00 C ATOM 756 CD LYS A 50 -2.497 -15.179 -0.782 1.00 0.00 C ATOM 757 CE LYS A 50 -3.674 -15.523 -1.683 1.00 0.00 C ATOM 758 NZ LYS A 50 -3.573 -16.907 -2.223 1.00 0.00 N ATOM 0 H LYS A 50 -0.408 -13.177 2.705 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.832 -13.136 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.820 -14.890 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.770 -15.547 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.483 -16.764 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.754 -15.583 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.360 -14.098 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.584 -15.606 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.603 -15.419 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.719 -14.813 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.393 -17.103 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.699 -17.000 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.556 -17.586 -1.436 1.00 0.00 H new ATOM 772 N LYS A 51 -4.579 -13.238 2.829 1.00 0.00 N ATOM 773 CA LYS A 51 -5.637 -13.259 3.832 1.00 0.00 C ATOM 774 C LYS A 51 -6.816 -14.105 3.362 1.00 0.00 C ATOM 775 O LYS A 51 -7.243 -15.030 4.052 1.00 0.00 O ATOM 776 CB LYS A 51 -6.107 -11.835 4.138 1.00 0.00 C ATOM 777 CG LYS A 51 -7.151 -11.762 5.238 1.00 0.00 C ATOM 778 CD LYS A 51 -6.536 -11.992 6.608 1.00 0.00 C ATOM 779 CE LYS A 51 -6.038 -10.691 7.220 1.00 0.00 C ATOM 780 NZ LYS A 51 -4.692 -10.316 6.706 1.00 0.00 N ATOM 0 H LYS A 51 -4.875 -12.904 1.912 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.232 -13.704 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.246 -11.231 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.517 -11.394 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.637 -10.786 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.925 -12.508 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.275 -12.447 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.708 -12.696 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.746 -9.892 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.997 -10.792 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.105 -9.968 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.239 -11.149 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.790 -9.569 5.989 1.00 0.00 H new ATOM 794 N GLY A 52 -7.338 -13.781 2.183 1.00 0.00 N ATOM 795 CA GLY A 52 -8.462 -14.522 1.641 1.00 0.00 C ATOM 796 C GLY A 52 -9.760 -13.744 1.717 1.00 0.00 C ATOM 797 O GLY A 52 -10.273 -13.274 0.700 1.00 0.00 O ATOM 0 H GLY A 52 -7.003 -13.019 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.256 -14.779 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.572 -15.460 2.186 1.00 0.00 H new ATOM 801 N THR A 53 -10.297 -13.607 2.926 1.00 0.00 N ATOM 802 CA THR A 53 -11.545 -12.883 3.131 1.00 0.00 C ATOM 803 C THR A 53 -11.455 -11.965 4.344 1.00 0.00 C ATOM 804 O THR A 53 -10.605 -12.151 5.214 1.00 0.00 O ATOM 805 CB THR A 53 -12.730 -13.849 3.318 1.00 0.00 C ATOM 806 OG1 THR A 53 -12.496 -14.698 4.447 1.00 0.00 O ATOM 807 CG2 THR A 53 -12.939 -14.697 2.073 1.00 0.00 C ATOM 0 H THR A 53 -9.886 -13.988 3.778 1.00 0.00 H new ATOM 0 HA THR A 53 -11.713 -12.283 2.237 1.00 0.00 H new ATOM 0 HB THR A 53 -13.629 -13.257 3.489 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.255 -15.308 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.781 -15.371 2.229 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.146 -14.049 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.040 -15.280 1.875 1.00 0.00 H new ATOM 815 N GLY A 54 -12.339 -10.973 4.397 1.00 0.00 N ATOM 816 CA GLY A 54 -12.342 -10.041 5.510 1.00 0.00 C ATOM 817 C GLY A 54 -12.875 -8.676 5.121 1.00 0.00 C ATOM 818 O GLY A 54 -13.542 -8.531 4.095 1.00 0.00 O ATOM 0 H GLY A 54 -13.053 -10.798 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.949 -10.448 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.328 -9.936 5.895 1.00 0.00 H new ATOM 822 N LEU A 55 -12.584 -7.673 5.942 1.00 0.00 N ATOM 823 CA LEU A 55 -13.040 -6.313 5.680 1.00 0.00 C ATOM 824 C LEU A 55 -12.329 -5.724 4.466 1.00 0.00 C ATOM 825 O LEU A 55 -11.102 -5.763 4.373 1.00 0.00 O ATOM 826 CB LEU A 55 -12.800 -5.428 6.904 1.00 0.00 C ATOM 827 CG LEU A 55 -13.546 -5.829 8.178 1.00 0.00 C ATOM 828 CD1 LEU A 55 -12.820 -6.961 8.888 1.00 0.00 C ATOM 829 CD2 LEU A 55 -13.704 -4.630 9.103 1.00 0.00 C ATOM 0 H LEU A 55 -12.034 -7.776 6.795 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.109 -6.350 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.731 -5.422 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.080 -4.406 6.649 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.539 -6.181 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.365 -7.233 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.760 -7.826 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.814 -6.637 9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.237 -4.933 10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.720 -4.248 9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.268 -3.849 8.593 1.00 0.00 H new ATOM 841 N GLY A 56 -13.107 -5.177 3.537 1.00 0.00 N ATOM 842 CA GLY A 56 -12.534 -4.586 2.342 1.00 0.00 C ATOM 843 C GLY A 56 -12.167 -5.624 1.301 1.00 0.00 C ATOM 844 O GLY A 56 -11.179 -6.343 1.453 1.00 0.00 O ATOM 0 H GLY A 56 -14.125 -5.133 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.245 -3.881 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.645 -4.017 2.612 1.00 0.00 H new ATOM 848 N GLN A 57 -12.964 -5.704 0.240 1.00 0.00 N ATOM 849 CA GLN A 57 -12.718 -6.664 -0.829 1.00 0.00 C ATOM 850 C GLN A 57 -11.842 -6.054 -1.918 1.00 0.00 C ATOM 851 O GLN A 57 -12.039 -6.314 -3.104 1.00 0.00 O ATOM 852 CB GLN A 57 -14.042 -7.140 -1.430 1.00 0.00 C ATOM 853 CG GLN A 57 -14.860 -6.024 -2.060 1.00 0.00 C ATOM 854 CD GLN A 57 -15.809 -6.528 -3.129 1.00 0.00 C ATOM 855 OE1 GLN A 57 -17.027 -6.512 -2.952 1.00 0.00 O ATOM 856 NE2 GLN A 57 -15.255 -6.978 -4.249 1.00 0.00 N ATOM 0 H GLN A 57 -13.785 -5.116 0.098 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.193 -7.518 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.837 -7.899 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.635 -7.618 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.431 -5.514 -1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.186 -5.287 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.240 -6.973 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.844 -7.328 -5.004 1.00 0.00 H new ATOM 865 N GLN A 58 -10.874 -5.242 -1.505 1.00 0.00 N ATOM 866 CA GLN A 58 -9.968 -4.594 -2.447 1.00 0.00 C ATOM 867 C GLN A 58 -8.517 -4.948 -2.138 1.00 0.00 C ATOM 868 O GLN A 58 -8.158 -5.188 -0.984 1.00 0.00 O ATOM 869 CB GLN A 58 -10.155 -3.076 -2.405 1.00 0.00 C ATOM 870 CG GLN A 58 -9.738 -2.376 -3.688 1.00 0.00 C ATOM 871 CD GLN A 58 -10.841 -2.360 -4.728 1.00 0.00 C ATOM 872 OE1 GLN A 58 -11.705 -1.483 -4.720 1.00 0.00 O ATOM 873 NE2 GLN A 58 -10.816 -3.332 -5.633 1.00 0.00 N ATOM 0 H GLN A 58 -10.697 -5.017 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.206 -4.955 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.203 -2.853 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.577 -2.670 -1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.444 -1.352 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.861 -2.875 -4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.081 -4.039 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.532 -3.372 -6.359 1.00 0.00 H new ATOM 882 N LEU A 59 -7.687 -4.980 -3.174 1.00 0.00 N ATOM 883 CA LEU A 59 -6.274 -5.305 -3.014 1.00 0.00 C ATOM 884 C LEU A 59 -5.393 -4.146 -3.469 1.00 0.00 C ATOM 885 O LEU A 59 -4.334 -3.898 -2.895 1.00 0.00 O ATOM 886 CB LEU A 59 -5.928 -6.566 -3.808 1.00 0.00 C ATOM 887 CG LEU A 59 -6.360 -6.576 -5.275 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.266 -5.995 -6.157 1.00 0.00 C ATOM 889 CD2 LEU A 59 -6.711 -7.989 -5.718 1.00 0.00 C ATOM 0 H LEU A 59 -7.968 -4.785 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.086 -5.486 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.849 -6.712 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.385 -7.421 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.249 -5.954 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.591 -6.010 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.063 -4.968 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.359 -6.590 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.016 -7.977 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.840 -8.634 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.529 -8.370 -5.106 1.00 0.00 H new ATOM 901 N GLN A 60 -5.841 -3.440 -4.502 1.00 0.00 N ATOM 902 CA GLN A 60 -5.093 -2.306 -5.033 1.00 0.00 C ATOM 903 C GLN A 60 -5.858 -1.003 -4.822 1.00 0.00 C ATOM 904 O GLN A 60 -7.061 -0.932 -5.068 1.00 0.00 O ATOM 905 CB GLN A 60 -4.807 -2.509 -6.522 1.00 0.00 C ATOM 906 CG GLN A 60 -3.507 -3.247 -6.796 1.00 0.00 C ATOM 907 CD GLN A 60 -3.298 -3.533 -8.270 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.203 -4.690 -8.682 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.226 -2.479 -9.074 1.00 0.00 N ATOM 0 H GLN A 60 -6.717 -3.633 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.147 -2.242 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.632 -3.064 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.774 -1.536 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.672 -2.655 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.504 -4.187 -6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.310 -1.538 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.087 -2.610 -10.076 1.00 0.00 H new ATOM 918 N GLY A 61 -5.151 0.026 -4.366 1.00 0.00 N ATOM 919 CA GLY A 61 -5.780 1.312 -4.130 1.00 0.00 C ATOM 920 C GLY A 61 -4.786 2.373 -3.700 1.00 0.00 C ATOM 921 O GLY A 61 -3.599 2.092 -3.538 1.00 0.00 O ATOM 0 H GLY A 61 -4.153 -0.008 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.285 1.638 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.546 1.203 -3.362 1.00 0.00 H new ATOM 925 N TYR A 62 -5.272 3.596 -3.516 1.00 0.00 N ATOM 926 CA TYR A 62 -4.418 4.704 -3.107 1.00 0.00 C ATOM 927 C TYR A 62 -4.219 4.709 -1.594 1.00 0.00 C ATOM 928 O TYR A 62 -5.170 4.530 -0.832 1.00 0.00 O ATOM 929 CB TYR A 62 -5.022 6.035 -3.557 1.00 0.00 C ATOM 930 CG TYR A 62 -5.077 6.197 -5.060 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.914 6.331 -5.807 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.294 6.214 -5.731 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.961 6.480 -7.180 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.350 6.361 -7.104 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.181 6.494 -7.824 1.00 0.00 C ATOM 936 OH TYR A 62 -5.231 6.641 -9.191 1.00 0.00 O ATOM 0 H TYR A 62 -6.253 3.845 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.446 4.574 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.031 6.122 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.438 6.852 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.957 6.319 -5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.211 6.111 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.047 6.585 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.304 6.372 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.165 6.629 -9.487 1.00 0.00 H new ATOM 946 N ILE A 63 -2.978 4.915 -1.167 1.00 0.00 N ATOM 947 CA ILE A 63 -2.654 4.945 0.254 1.00 0.00 C ATOM 948 C ILE A 63 -1.639 6.040 0.563 1.00 0.00 C ATOM 949 O ILE A 63 -0.762 6.353 -0.242 1.00 0.00 O ATOM 950 CB ILE A 63 -2.096 3.592 0.733 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.732 3.323 0.093 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.070 2.471 0.406 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.096 2.303 0.841 1.00 0.00 C ATOM 0 H ILE A 63 -2.180 5.064 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.583 5.154 0.785 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.968 3.631 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.882 2.978 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.176 4.259 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.661 1.521 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.021 2.659 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.227 2.428 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.049 2.163 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.277 2.655 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.440 1.354 0.876 1.00 0.00 H new ATOM 965 N PRO A 64 -1.758 6.636 1.758 1.00 0.00 N ATOM 966 CA PRO A 64 -0.857 7.704 2.203 1.00 0.00 C ATOM 967 C PRO A 64 0.551 7.193 2.488 1.00 0.00 C ATOM 968 O PRO A 64 0.728 6.142 3.104 1.00 0.00 O ATOM 969 CB PRO A 64 -1.514 8.208 3.491 1.00 0.00 C ATOM 970 CG PRO A 64 -2.306 7.050 3.991 1.00 0.00 C ATOM 971 CD PRO A 64 -2.780 6.314 2.768 1.00 0.00 C ATOM 0 HA PRO A 64 -0.731 8.475 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.767 8.521 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.152 9.070 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.697 6.404 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.149 7.385 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.845 5.241 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.770 6.647 2.458 1.00 0.00 H new ATOM 979 N SER A 65 1.551 7.944 2.037 1.00 0.00 N ATOM 980 CA SER A 65 2.944 7.566 2.241 1.00 0.00 C ATOM 981 C SER A 65 3.381 7.851 3.675 1.00 0.00 C ATOM 982 O SER A 65 4.094 7.058 4.288 1.00 0.00 O ATOM 983 CB SER A 65 3.847 8.317 1.261 1.00 0.00 C ATOM 984 OG SER A 65 3.837 9.710 1.523 1.00 0.00 O ATOM 0 H SER A 65 1.422 8.818 1.528 1.00 0.00 H new ATOM 0 HA SER A 65 3.034 6.495 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.866 7.937 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.513 8.133 0.240 1.00 0.00 H new ATOM 0 HG SER A 65 4.423 10.167 0.884 1.00 0.00 H new ATOM 990 N ASN A 66 2.946 8.991 4.203 1.00 0.00 N ATOM 991 CA ASN A 66 3.292 9.384 5.564 1.00 0.00 C ATOM 992 C ASN A 66 2.934 8.281 6.556 1.00 0.00 C ATOM 993 O ASN A 66 3.474 8.226 7.661 1.00 0.00 O ATOM 994 CB ASN A 66 2.571 10.679 5.943 1.00 0.00 C ATOM 995 CG ASN A 66 2.645 11.724 4.846 1.00 0.00 C ATOM 996 OD1 ASN A 66 1.719 11.869 4.048 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.751 12.457 4.802 1.00 0.00 N ATOM 0 H ASN A 66 2.354 9.658 3.709 1.00 0.00 H new ATOM 0 HA ASN A 66 4.368 9.550 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.526 10.459 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.010 11.082 6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.859 13.175 4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.493 12.302 5.484 1.00 0.00 H new ATOM 1004 N TYR A 67 2.021 7.404 6.152 1.00 0.00 N ATOM 1005 CA TYR A 67 1.589 6.303 7.006 1.00 0.00 C ATOM 1006 C TYR A 67 2.560 5.129 6.913 1.00 0.00 C ATOM 1007 O TYR A 67 2.706 4.354 7.858 1.00 0.00 O ATOM 1008 CB TYR A 67 0.183 5.848 6.614 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.917 6.584 7.345 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -1.171 7.926 7.091 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.703 5.937 8.291 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -2.174 8.603 7.757 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.710 6.605 8.961 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.941 7.938 8.691 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.942 8.607 9.357 1.00 0.00 O ATOM 0 H TYR A 67 1.566 7.434 5.240 1.00 0.00 H new ATOM 0 HA TYR A 67 1.575 6.659 8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.051 5.987 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.088 4.780 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.573 8.449 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.524 4.894 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.357 9.647 7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.313 6.087 9.692 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.387 7.994 9.979 1.00 0.00 H new ATOM 1025 N VAL A 68 3.223 5.007 5.768 1.00 0.00 N ATOM 1026 CA VAL A 68 4.181 3.930 5.551 1.00 0.00 C ATOM 1027 C VAL A 68 5.601 4.472 5.439 1.00 0.00 C ATOM 1028 O VAL A 68 5.815 5.684 5.435 1.00 0.00 O ATOM 1029 CB VAL A 68 3.848 3.130 4.277 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.361 2.814 4.218 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.288 3.894 3.038 1.00 0.00 C ATOM 0 H VAL A 68 3.114 5.641 4.976 1.00 0.00 H new ATOM 0 HA VAL A 68 4.114 3.269 6.415 1.00 0.00 H new ATOM 0 HB VAL A 68 4.395 2.187 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.145 2.249 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.080 2.223 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.792 3.743 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.045 3.314 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.771 4.853 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.364 4.064 3.078 1.00 0.00 H new ATOM 1041 N ALA A 69 6.570 3.566 5.350 1.00 0.00 N ATOM 1042 CA ALA A 69 7.970 3.954 5.236 1.00 0.00 C ATOM 1043 C ALA A 69 8.787 2.864 4.549 1.00 0.00 C ATOM 1044 O ALA A 69 8.286 1.771 4.290 1.00 0.00 O ATOM 1045 CB ALA A 69 8.546 4.261 6.610 1.00 0.00 C ATOM 0 H ALA A 69 6.410 2.559 5.355 1.00 0.00 H new ATOM 0 HA ALA A 69 8.024 4.853 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.592 4.549 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.986 5.078 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.473 3.376 7.241 1.00 0.00 H new ATOM 1051 N GLU A 70 10.047 3.171 4.258 1.00 0.00 N ATOM 1052 CA GLU A 70 10.932 2.217 3.600 1.00 0.00 C ATOM 1053 C GLU A 70 11.403 1.147 4.580 1.00 0.00 C ATOM 1054 O GLU A 70 12.214 1.415 5.467 1.00 0.00 O ATOM 1055 CB GLU A 70 12.140 2.939 2.997 1.00 0.00 C ATOM 1056 CG GLU A 70 12.737 2.228 1.795 1.00 0.00 C ATOM 1057 CD GLU A 70 13.706 1.130 2.189 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.455 0.453 3.207 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.716 0.948 1.477 1.00 0.00 O ATOM 0 H GLU A 70 10.478 4.072 4.467 1.00 0.00 H new ATOM 0 HA GLU A 70 10.371 1.732 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.841 3.945 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.908 3.046 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.934 1.801 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.253 2.954 1.167 1.00 0.00 H new ATOM 1066 N ASP A 71 10.889 -0.067 4.413 1.00 0.00 N ATOM 1067 CA ASP A 71 11.256 -1.179 5.282 1.00 0.00 C ATOM 1068 C ASP A 71 12.412 -1.976 4.685 1.00 0.00 C ATOM 1069 O ASP A 71 12.722 -1.847 3.501 1.00 0.00 O ATOM 1070 CB ASP A 71 10.053 -2.095 5.509 1.00 0.00 C ATOM 1071 CG ASP A 71 10.099 -2.786 6.858 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.653 -2.196 7.808 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.581 -3.918 6.963 1.00 0.00 O ATOM 0 H ASP A 71 10.217 -0.306 3.684 1.00 0.00 H new ATOM 0 HA ASP A 71 11.577 -0.769 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.136 -1.511 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.018 -2.846 4.720 1.00 0.00 H new ATOM 1078 N SER A 72 13.047 -2.799 5.514 1.00 0.00 N ATOM 1079 CA SER A 72 14.172 -3.613 5.069 1.00 0.00 C ATOM 1080 C SER A 72 13.712 -5.018 4.694 1.00 0.00 C ATOM 1081 O SER A 72 13.019 -5.682 5.464 1.00 0.00 O ATOM 1082 CB SER A 72 15.238 -3.689 6.164 1.00 0.00 C ATOM 1083 OG SER A 72 14.847 -4.577 7.196 1.00 0.00 O ATOM 0 H SER A 72 12.802 -2.919 6.497 1.00 0.00 H new ATOM 0 HA SER A 72 14.602 -3.142 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.183 -4.021 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.408 -2.696 6.580 1.00 0.00 H new ATOM 0 HG SER A 72 14.044 -5.066 6.920 1.00 0.00 H new ATOM 1089 N GLY A 73 14.102 -5.464 3.504 1.00 0.00 N ATOM 1090 CA GLY A 73 13.720 -6.787 3.046 1.00 0.00 C ATOM 1091 C GLY A 73 14.801 -7.821 3.294 1.00 0.00 C ATOM 1092 O GLY A 73 15.995 -7.528 3.236 1.00 0.00 O ATOM 0 H GLY A 73 14.676 -4.933 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.805 -7.094 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.496 -6.748 1.980 1.00 0.00 H new ATOM 1096 N PRO A 74 14.383 -9.063 3.580 1.00 0.00 N ATOM 1097 CA PRO A 74 15.308 -10.169 3.845 1.00 0.00 C ATOM 1098 C PRO A 74 16.063 -10.605 2.594 1.00 0.00 C ATOM 1099 O PRO A 74 15.678 -11.566 1.929 1.00 0.00 O ATOM 1100 CB PRO A 74 14.389 -11.291 4.334 1.00 0.00 C ATOM 1101 CG PRO A 74 13.062 -10.984 3.731 1.00 0.00 C ATOM 1102 CD PRO A 74 12.974 -9.484 3.666 1.00 0.00 C ATOM 0 HA PRO A 74 16.081 -9.891 4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.752 -12.268 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.334 -11.312 5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.974 -11.424 2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.254 -11.397 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.402 -9.152 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.484 -9.072 4.548 1.00 0.00 H new ATOM 1110 N SER A 75 17.140 -9.893 2.280 1.00 0.00 N ATOM 1111 CA SER A 75 17.948 -10.205 1.106 1.00 0.00 C ATOM 1112 C SER A 75 19.344 -9.603 1.232 1.00 0.00 C ATOM 1113 O SER A 75 19.498 -8.434 1.585 1.00 0.00 O ATOM 1114 CB SER A 75 17.267 -9.683 -0.161 1.00 0.00 C ATOM 1115 OG SER A 75 17.588 -10.490 -1.281 1.00 0.00 O ATOM 0 H SER A 75 17.474 -9.096 2.822 1.00 0.00 H new ATOM 0 HA SER A 75 18.044 -11.289 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.187 -9.668 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.578 -8.655 -0.348 1.00 0.00 H new ATOM 0 HG SER A 75 17.140 -10.137 -2.078 1.00 0.00 H new ATOM 1121 N SER A 76 20.358 -10.411 0.940 1.00 0.00 N ATOM 1122 CA SER A 76 21.743 -9.960 1.023 1.00 0.00 C ATOM 1123 C SER A 76 22.081 -9.028 -0.136 1.00 0.00 C ATOM 1124 O SER A 76 22.213 -9.463 -1.279 1.00 0.00 O ATOM 1125 CB SER A 76 22.692 -11.160 1.022 1.00 0.00 C ATOM 1126 OG SER A 76 22.394 -12.045 -0.044 1.00 0.00 O ATOM 0 H SER A 76 20.247 -11.381 0.644 1.00 0.00 H new ATOM 0 HA SER A 76 21.866 -9.410 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.722 -10.813 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.614 -11.690 1.971 1.00 0.00 H new ATOM 0 HG SER A 76 22.282 -11.533 -0.872 1.00 0.00 H new ATOM 1132 N GLY A 77 22.221 -7.741 0.169 1.00 0.00 N ATOM 1133 CA GLY A 77 22.543 -6.766 -0.857 1.00 0.00 C ATOM 1134 C GLY A 77 23.448 -5.664 -0.346 1.00 0.00 C ATOM 1135 O GLY A 77 24.307 -5.901 0.504 1.00 0.00 O ATOM 0 H GLY A 77 22.117 -7.356 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 77 23.026 -7.270 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.621 -6.327 -1.239 1.00 0.00 H new TER 1139 GLY A 77