USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 TYR OH : rot -150:sc= 0.409 USER MOD Set 1.2: A 35 THR OG1 : rot 77:sc= 0.531 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -103:sc= 0.0614 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.34) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 23 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.089) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 76:sc= 0.00417 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.789 K(o=-0.79,f=-4.6!) USER MOD Single : A 38 THR OG1 : rot -85:sc= 1.1 USER MOD Single : A 43 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.43) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -15.023 19.108 -6.107 1.00 0.00 N ATOM 2 CA GLY A -6 -14.270 18.264 -5.198 1.00 0.00 C ATOM 3 C GLY A -6 -12.942 18.878 -4.802 1.00 0.00 C ATOM 4 O GLY A -6 -12.450 19.791 -5.464 1.00 0.00 O ATOM 0 H1 GLY A -6 -15.784 19.587 -5.585 1.00 0.00 H new ATOM 0 H2 GLY A -6 -14.390 19.819 -6.526 1.00 0.00 H new ATOM 0 H3 GLY A -6 -15.435 18.524 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -14.863 18.080 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -14.094 17.296 -5.668 1.00 0.00 H new ATOM 8 N SER A -5 -12.360 18.376 -3.717 1.00 0.00 N ATOM 9 CA SER A -5 -11.083 18.885 -3.229 1.00 0.00 C ATOM 10 C SER A -5 -9.929 18.358 -4.076 1.00 0.00 C ATOM 11 O SER A -5 -9.931 17.200 -4.495 1.00 0.00 O ATOM 12 CB SER A -5 -10.878 18.491 -1.765 1.00 0.00 C ATOM 13 OG SER A -5 -9.962 19.363 -1.126 1.00 0.00 O ATOM 0 H SER A -5 -12.752 17.617 -3.159 1.00 0.00 H new ATOM 0 HA SER A -5 -11.100 19.972 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A -5 -11.834 18.515 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A -5 -10.510 17.467 -1.709 1.00 0.00 H new ATOM 0 HG SER A -5 -9.849 19.091 -0.191 1.00 0.00 H new ATOM 19 N SER A -4 -8.945 19.216 -4.325 1.00 0.00 N ATOM 20 CA SER A -4 -7.786 18.840 -5.125 1.00 0.00 C ATOM 21 C SER A -4 -7.169 17.542 -4.611 1.00 0.00 C ATOM 22 O SER A -4 -7.058 17.330 -3.404 1.00 0.00 O ATOM 23 CB SER A -4 -6.741 19.957 -5.105 1.00 0.00 C ATOM 24 OG SER A -4 -7.265 21.154 -5.653 1.00 0.00 O ATOM 0 H SER A -4 -8.928 20.177 -3.984 1.00 0.00 H new ATOM 0 HA SER A -4 -8.120 18.683 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A -4 -6.414 20.135 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A -4 -5.862 19.648 -5.671 1.00 0.00 H new ATOM 0 HG SER A -4 -6.579 21.853 -5.627 1.00 0.00 H new ATOM 30 N GLY A -3 -6.770 16.676 -5.537 1.00 0.00 N ATOM 31 CA GLY A -3 -6.170 15.410 -5.159 1.00 0.00 C ATOM 32 C GLY A -3 -4.918 15.101 -5.956 1.00 0.00 C ATOM 33 O GLY A -3 -4.995 14.718 -7.123 1.00 0.00 O ATOM 0 H GLY A -3 -6.852 16.828 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -5.925 15.430 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -6.896 14.610 -5.304 1.00 0.00 H new ATOM 37 N SER A -2 -3.760 15.270 -5.325 1.00 0.00 N ATOM 38 CA SER A -2 -2.485 15.012 -5.984 1.00 0.00 C ATOM 39 C SER A -2 -2.421 13.577 -6.499 1.00 0.00 C ATOM 40 O SER A -2 -2.536 12.624 -5.730 1.00 0.00 O ATOM 41 CB SER A -2 -1.326 15.272 -5.020 1.00 0.00 C ATOM 42 OG SER A -2 -1.249 16.644 -4.674 1.00 0.00 O ATOM 0 H SER A -2 -3.679 15.585 -4.358 1.00 0.00 H new ATOM 0 HA SER A -2 -2.400 15.689 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A -2 -1.457 14.673 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.389 14.956 -5.479 1.00 0.00 H new ATOM 0 HG SER A -2 -0.502 16.784 -4.056 1.00 0.00 H new ATOM 48 N SER A -1 -2.235 13.433 -7.808 1.00 0.00 N ATOM 49 CA SER A -1 -2.159 12.115 -8.428 1.00 0.00 C ATOM 50 C SER A -1 -0.801 11.470 -8.169 1.00 0.00 C ATOM 51 O SER A -1 0.242 12.073 -8.416 1.00 0.00 O ATOM 52 CB SER A -1 -2.406 12.223 -9.934 1.00 0.00 C ATOM 53 OG SER A -1 -3.790 12.333 -10.218 1.00 0.00 O ATOM 0 H SER A -1 -2.134 14.212 -8.459 1.00 0.00 H new ATOM 0 HA SER A -1 -2.931 11.486 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A -1 -1.880 13.092 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.997 11.346 -10.436 1.00 0.00 H new ATOM 0 HG SER A -1 -3.921 12.402 -11.187 1.00 0.00 H new ATOM 59 N GLY A 0 -0.824 10.239 -7.668 1.00 0.00 N ATOM 60 CA GLY A 0 0.410 9.531 -7.382 1.00 0.00 C ATOM 61 C GLY A 0 0.488 9.058 -5.944 1.00 0.00 C ATOM 62 O GLY A 0 0.208 9.818 -5.017 1.00 0.00 O ATOM 0 H GLY A 0 -1.675 9.719 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.496 8.673 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.257 10.184 -7.593 1.00 0.00 H new ATOM 66 N TYR A 1 0.868 7.799 -5.757 1.00 0.00 N ATOM 67 CA TYR A 1 0.977 7.223 -4.422 1.00 0.00 C ATOM 68 C TYR A 1 2.435 6.949 -4.065 1.00 0.00 C ATOM 69 O TYR A 1 2.754 5.936 -3.445 1.00 0.00 O ATOM 70 CB TYR A 1 0.167 5.929 -4.333 1.00 0.00 C ATOM 71 CG TYR A 1 -1.319 6.131 -4.531 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.057 6.912 -3.651 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.983 5.540 -5.599 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.415 7.097 -3.828 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.340 5.721 -5.785 1.00 0.00 C ATOM 76 CZ TYR A 1 -4.052 6.500 -4.896 1.00 0.00 C ATOM 77 OH TYR A 1 -5.403 6.684 -5.077 1.00 0.00 O ATOM 0 H TYR A 1 1.106 7.158 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 1 0.576 7.944 -3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.533 5.228 -5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.336 5.470 -3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.561 7.382 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.429 4.929 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.975 7.706 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.841 5.256 -6.621 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.785 5.895 -5.515 1.00 0.00 H new ATOM 87 N GLY A 2 3.317 7.863 -4.461 1.00 0.00 N ATOM 88 CA GLY A 2 4.730 7.703 -4.174 1.00 0.00 C ATOM 89 C GLY A 2 5.082 8.097 -2.753 1.00 0.00 C ATOM 90 O GLY A 2 5.509 7.262 -1.958 1.00 0.00 O ATOM 0 H GLY A 2 3.077 8.711 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.016 6.665 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.310 8.309 -4.870 1.00 0.00 H new ATOM 94 N ALA A 3 4.903 9.375 -2.434 1.00 0.00 N ATOM 95 CA ALA A 3 5.204 9.879 -1.100 1.00 0.00 C ATOM 96 C ALA A 3 4.692 8.925 -0.025 1.00 0.00 C ATOM 97 O ALA A 3 5.363 8.691 0.980 1.00 0.00 O ATOM 98 CB ALA A 3 4.602 11.263 -0.910 1.00 0.00 C ATOM 0 H ALA A 3 4.551 10.080 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 3 6.287 9.950 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.835 11.627 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.019 11.946 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.520 11.209 -1.034 1.00 0.00 H new ATOM 104 N TRP A 4 3.500 8.381 -0.243 1.00 0.00 N ATOM 105 CA TRP A 4 2.899 7.453 0.708 1.00 0.00 C ATOM 106 C TRP A 4 3.947 6.506 1.283 1.00 0.00 C ATOM 107 O TRP A 4 4.654 5.826 0.541 1.00 0.00 O ATOM 108 CB TRP A 4 1.783 6.652 0.035 1.00 0.00 C ATOM 109 CG TRP A 4 0.535 7.449 -0.196 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.457 8.777 -0.507 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.812 6.969 -0.134 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.859 9.151 -0.641 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.656 8.060 -0.418 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.387 5.724 0.133 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -3.043 7.941 -0.441 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.764 5.607 0.109 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.580 6.710 -0.177 1.00 0.00 C ATOM 0 H TRP A 4 2.931 8.566 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 4 2.476 8.035 1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.144 6.271 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.544 5.787 0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.304 9.436 -0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.188 10.089 -0.869 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.767 4.868 0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.673 8.790 -0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.219 4.649 0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.653 6.586 -0.189 1.00 0.00 H new ATOM 128 N ALA A 5 4.040 6.468 2.608 1.00 0.00 N ATOM 129 CA ALA A 5 5.001 5.602 3.281 1.00 0.00 C ATOM 130 C ALA A 5 4.490 4.167 3.353 1.00 0.00 C ATOM 131 O ALA A 5 3.283 3.926 3.332 1.00 0.00 O ATOM 132 CB ALA A 5 5.298 6.129 4.677 1.00 0.00 C ATOM 0 H ALA A 5 3.462 7.026 3.236 1.00 0.00 H new ATOM 0 HA ALA A 5 5.923 5.603 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.017 5.473 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.714 7.134 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.377 6.158 5.259 1.00 0.00 H new ATOM 138 N ALA A 6 5.416 3.218 3.437 1.00 0.00 N ATOM 139 CA ALA A 6 5.059 1.807 3.513 1.00 0.00 C ATOM 140 C ALA A 6 3.832 1.598 4.394 1.00 0.00 C ATOM 141 O ALA A 6 2.835 1.022 3.959 1.00 0.00 O ATOM 142 CB ALA A 6 6.233 0.993 4.037 1.00 0.00 C ATOM 0 H ALA A 6 6.419 3.401 3.454 1.00 0.00 H new ATOM 0 HA ALA A 6 4.814 1.465 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.952 -0.059 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.084 1.109 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.505 1.345 5.032 1.00 0.00 H new ATOM 148 N GLN A 7 3.913 2.068 5.635 1.00 0.00 N ATOM 149 CA GLN A 7 2.810 1.931 6.577 1.00 0.00 C ATOM 150 C GLN A 7 1.504 2.422 5.961 1.00 0.00 C ATOM 151 O GLN A 7 0.478 1.746 6.038 1.00 0.00 O ATOM 152 CB GLN A 7 3.106 2.710 7.860 1.00 0.00 C ATOM 153 CG GLN A 7 2.188 2.349 9.017 1.00 0.00 C ATOM 154 CD GLN A 7 2.664 2.919 10.339 1.00 0.00 C ATOM 155 OE1 GLN A 7 3.370 3.927 10.376 1.00 0.00 O ATOM 156 NE2 GLN A 7 2.279 2.274 11.434 1.00 0.00 N ATOM 0 H GLN A 7 4.731 2.547 6.011 1.00 0.00 H new ATOM 0 HA GLN A 7 2.702 0.874 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.139 2.527 8.156 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.017 3.777 7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.184 2.717 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.120 1.264 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.694 1.442 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.569 2.610 12.352 1.00 0.00 H new ATOM 165 N GLU A 8 1.550 3.602 5.351 1.00 0.00 N ATOM 166 CA GLU A 8 0.369 4.183 4.723 1.00 0.00 C ATOM 167 C GLU A 8 -0.212 3.236 3.676 1.00 0.00 C ATOM 168 O GLU A 8 -1.364 2.812 3.777 1.00 0.00 O ATOM 169 CB GLU A 8 0.716 5.525 4.075 1.00 0.00 C ATOM 170 CG GLU A 8 0.977 6.635 5.079 1.00 0.00 C ATOM 171 CD GLU A 8 1.608 6.127 6.361 1.00 0.00 C ATOM 172 OE1 GLU A 8 0.882 5.531 7.183 1.00 0.00 O ATOM 173 OE2 GLU A 8 2.828 6.325 6.541 1.00 0.00 O ATOM 0 H GLU A 8 2.391 4.174 5.278 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.380 4.345 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.598 5.399 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.101 5.824 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.631 7.381 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.037 7.135 5.314 1.00 0.00 H new ATOM 180 N LEU A 9 0.593 2.909 2.671 1.00 0.00 N ATOM 181 CA LEU A 9 0.160 2.013 1.605 1.00 0.00 C ATOM 182 C LEU A 9 -0.409 0.719 2.178 1.00 0.00 C ATOM 183 O LEU A 9 -1.533 0.330 1.859 1.00 0.00 O ATOM 184 CB LEU A 9 1.329 1.699 0.669 1.00 0.00 C ATOM 185 CG LEU A 9 1.976 2.899 -0.023 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.320 2.511 -0.619 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.054 3.455 -1.098 1.00 0.00 C ATOM 0 H LEU A 9 1.549 3.251 2.572 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.626 2.515 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.096 1.178 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.979 1.008 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 9 2.144 3.677 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.765 3.378 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.982 2.161 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.178 1.716 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.530 4.309 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.855 2.683 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.115 3.772 -0.644 1.00 0.00 H new ATOM 199 N GLN A 10 0.373 0.059 3.026 1.00 0.00 N ATOM 200 CA GLN A 10 -0.055 -1.190 3.645 1.00 0.00 C ATOM 201 C GLN A 10 -1.363 -1.001 4.406 1.00 0.00 C ATOM 202 O GLN A 10 -2.228 -1.875 4.399 1.00 0.00 O ATOM 203 CB GLN A 10 1.028 -1.712 4.591 1.00 0.00 C ATOM 204 CG GLN A 10 2.156 -2.442 3.880 1.00 0.00 C ATOM 205 CD GLN A 10 2.816 -3.490 4.755 1.00 0.00 C ATOM 206 OE1 GLN A 10 2.908 -3.331 5.972 1.00 0.00 O ATOM 207 NE2 GLN A 10 3.279 -4.571 4.138 1.00 0.00 N ATOM 0 H GLN A 10 1.306 0.368 3.300 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.219 -1.921 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.444 -0.874 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.571 -2.385 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.765 -2.919 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.905 -1.719 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.182 -4.662 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.732 -5.310 4.675 1.00 0.00 H new ATOM 216 N ALA A 11 -1.499 0.147 5.062 1.00 0.00 N ATOM 217 CA ALA A 11 -2.702 0.451 5.827 1.00 0.00 C ATOM 218 C ALA A 11 -3.948 0.345 4.955 1.00 0.00 C ATOM 219 O ALA A 11 -4.896 -0.365 5.291 1.00 0.00 O ATOM 220 CB ALA A 11 -2.601 1.840 6.440 1.00 0.00 C ATOM 0 H ALA A 11 -0.791 0.881 5.079 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.788 -0.282 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.506 2.054 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.737 1.883 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.487 2.580 5.648 1.00 0.00 H new ATOM 226 N LYS A 12 -3.941 1.057 3.832 1.00 0.00 N ATOM 227 CA LYS A 12 -5.071 1.043 2.910 1.00 0.00 C ATOM 228 C LYS A 12 -5.324 -0.364 2.381 1.00 0.00 C ATOM 229 O LYS A 12 -6.400 -0.930 2.580 1.00 0.00 O ATOM 230 CB LYS A 12 -4.815 2.000 1.744 1.00 0.00 C ATOM 231 CG LYS A 12 -5.213 3.436 2.036 1.00 0.00 C ATOM 232 CD LYS A 12 -6.712 3.568 2.245 1.00 0.00 C ATOM 233 CE LYS A 12 -7.134 5.026 2.350 1.00 0.00 C ATOM 234 NZ LYS A 12 -7.069 5.522 3.752 1.00 0.00 N ATOM 0 H LYS A 12 -3.165 1.651 3.539 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.956 1.372 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.756 1.971 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.365 1.650 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.689 3.786 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.902 4.076 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.239 3.094 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.002 3.038 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.489 5.637 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.150 5.138 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.364 6.519 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.703 4.955 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.094 5.439 4.105 1.00 0.00 H new ATOM 248 N LEU A 13 -4.327 -0.926 1.707 1.00 0.00 N ATOM 249 CA LEU A 13 -4.441 -2.270 1.150 1.00 0.00 C ATOM 250 C LEU A 13 -5.116 -3.214 2.139 1.00 0.00 C ATOM 251 O LEU A 13 -6.106 -3.867 1.812 1.00 0.00 O ATOM 252 CB LEU A 13 -3.058 -2.807 0.776 1.00 0.00 C ATOM 253 CG LEU A 13 -2.274 -1.989 -0.250 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.927 -2.636 -0.533 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.075 -1.837 -1.535 1.00 0.00 C ATOM 0 H LEU A 13 -3.430 -0.472 1.533 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.057 -2.214 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.461 -2.880 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.176 -3.819 0.390 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.097 -0.996 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.384 -2.039 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.349 -2.692 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.081 -3.641 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.502 -1.252 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.283 -2.822 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.015 -1.328 -1.320 1.00 0.00 H new ATOM 267 N ALA A 14 -4.575 -3.279 3.351 1.00 0.00 N ATOM 268 CA ALA A 14 -5.127 -4.139 4.390 1.00 0.00 C ATOM 269 C ALA A 14 -6.583 -3.787 4.678 1.00 0.00 C ATOM 270 O ALA A 14 -7.397 -4.663 4.967 1.00 0.00 O ATOM 271 CB ALA A 14 -4.296 -4.035 5.659 1.00 0.00 C ATOM 0 H ALA A 14 -3.754 -2.746 3.638 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.093 -5.168 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.720 -4.683 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.272 -4.344 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.299 -3.004 6.013 1.00 0.00 H new ATOM 277 N GLU A 15 -6.902 -2.499 4.597 1.00 0.00 N ATOM 278 CA GLU A 15 -8.260 -2.032 4.851 1.00 0.00 C ATOM 279 C GLU A 15 -9.212 -2.504 3.756 1.00 0.00 C ATOM 280 O GLU A 15 -10.225 -3.146 4.033 1.00 0.00 O ATOM 281 CB GLU A 15 -8.289 -0.505 4.944 1.00 0.00 C ATOM 282 CG GLU A 15 -9.692 0.077 4.961 1.00 0.00 C ATOM 283 CD GLU A 15 -10.401 -0.145 6.283 1.00 0.00 C ATOM 284 OE1 GLU A 15 -10.458 -1.307 6.737 1.00 0.00 O ATOM 285 OE2 GLU A 15 -10.898 0.842 6.864 1.00 0.00 O ATOM 0 H GLU A 15 -6.240 -1.761 4.358 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.590 -2.453 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.765 -0.194 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.742 -0.087 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.640 1.146 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.277 -0.373 4.159 1.00 0.00 H new ATOM 292 N ILE A 16 -8.878 -2.180 2.511 1.00 0.00 N ATOM 293 CA ILE A 16 -9.702 -2.571 1.374 1.00 0.00 C ATOM 294 C ILE A 16 -9.881 -4.084 1.319 1.00 0.00 C ATOM 295 O ILE A 16 -10.770 -4.590 0.636 1.00 0.00 O ATOM 296 CB ILE A 16 -9.092 -2.088 0.044 1.00 0.00 C ATOM 297 CG1 ILE A 16 -7.626 -2.518 -0.055 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.216 -0.577 -0.078 1.00 0.00 C ATOM 299 CD1 ILE A 16 -6.964 -2.111 -1.353 1.00 0.00 C ATOM 0 H ILE A 16 -8.043 -1.648 2.264 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.674 -2.098 1.511 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.642 -2.545 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.072 -2.085 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.565 -3.601 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.781 -0.251 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.268 -0.295 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.688 -0.101 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.927 -2.448 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.494 -2.565 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.993 -1.026 -1.451 1.00 0.00 H new ATOM 311 N GLY A 17 -9.029 -4.802 2.045 1.00 0.00 N ATOM 312 CA GLY A 17 -9.110 -6.251 2.066 1.00 0.00 C ATOM 313 C GLY A 17 -8.222 -6.897 1.021 1.00 0.00 C ATOM 314 O GLY A 17 -8.490 -8.011 0.573 1.00 0.00 O ATOM 0 H GLY A 17 -8.284 -4.406 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.826 -6.613 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.143 -6.556 1.899 1.00 0.00 H new ATOM 318 N ALA A 18 -7.163 -6.196 0.632 1.00 0.00 N ATOM 319 CA ALA A 18 -6.232 -6.708 -0.367 1.00 0.00 C ATOM 320 C ALA A 18 -4.938 -7.185 0.283 1.00 0.00 C ATOM 321 O ALA A 18 -4.554 -6.735 1.363 1.00 0.00 O ATOM 322 CB ALA A 18 -5.938 -5.641 -1.411 1.00 0.00 C ATOM 0 H ALA A 18 -6.928 -5.272 0.993 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.698 -7.562 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.242 -6.037 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.865 -5.350 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.496 -4.770 -0.927 1.00 0.00 H new ATOM 328 N PRO A 19 -4.248 -8.120 -0.387 1.00 0.00 N ATOM 329 CA PRO A 19 -2.986 -8.679 0.107 1.00 0.00 C ATOM 330 C PRO A 19 -1.847 -7.667 0.063 1.00 0.00 C ATOM 331 O PRO A 19 -1.603 -7.037 -0.967 1.00 0.00 O ATOM 332 CB PRO A 19 -2.710 -9.837 -0.856 1.00 0.00 C ATOM 333 CG PRO A 19 -3.424 -9.465 -2.109 1.00 0.00 C ATOM 334 CD PRO A 19 -4.646 -8.703 -1.680 1.00 0.00 C ATOM 0 HA PRO A 19 -3.056 -8.982 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.641 -9.960 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.079 -10.781 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.790 -8.855 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.698 -10.352 -2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.913 -7.932 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.512 -9.357 -1.576 1.00 0.00 H new ATOM 342 N ILE A 20 -1.152 -7.515 1.185 1.00 0.00 N ATOM 343 CA ILE A 20 -0.038 -6.580 1.273 1.00 0.00 C ATOM 344 C ILE A 20 1.254 -7.216 0.772 1.00 0.00 C ATOM 345 O ILE A 20 2.294 -7.128 1.424 1.00 0.00 O ATOM 346 CB ILE A 20 0.172 -6.089 2.718 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.369 -7.278 3.661 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.009 -5.240 3.165 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.869 -6.884 5.033 1.00 0.00 C ATOM 0 H ILE A 20 -1.341 -8.028 2.046 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.290 -5.728 0.641 1.00 0.00 H new ATOM 0 HB ILE A 20 1.070 -5.473 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.577 -7.808 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.077 -7.975 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.846 -4.900 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.106 -4.377 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.922 -5.834 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.986 -7.776 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.831 -6.380 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.151 -6.211 5.502 1.00 0.00 H new ATOM 361 N GLN A 21 1.180 -7.855 -0.391 1.00 0.00 N ATOM 362 CA GLN A 21 2.345 -8.505 -0.981 1.00 0.00 C ATOM 363 C GLN A 21 3.001 -7.606 -2.023 1.00 0.00 C ATOM 364 O GLN A 21 2.324 -7.027 -2.872 1.00 0.00 O ATOM 365 CB GLN A 21 1.944 -9.836 -1.618 1.00 0.00 C ATOM 366 CG GLN A 21 1.135 -9.680 -2.896 1.00 0.00 C ATOM 367 CD GLN A 21 0.393 -10.946 -3.275 1.00 0.00 C ATOM 368 OE1 GLN A 21 0.804 -12.051 -2.920 1.00 0.00 O ATOM 369 NE2 GLN A 21 -0.709 -10.792 -4.001 1.00 0.00 N ATOM 0 H GLN A 21 0.326 -7.937 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 21 3.066 -8.693 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.844 -10.411 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.363 -10.413 -0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.419 -8.867 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.801 -9.396 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.014 -9.858 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.250 -11.608 -4.286 1.00 0.00 H new ATOM 378 N GLY A 22 4.324 -7.492 -1.951 1.00 0.00 N ATOM 379 CA GLY A 22 5.049 -6.660 -2.894 1.00 0.00 C ATOM 380 C GLY A 22 5.814 -5.543 -2.213 1.00 0.00 C ATOM 381 O GLY A 22 5.370 -5.007 -1.198 1.00 0.00 O ATOM 0 H GLY A 22 4.906 -7.961 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.744 -7.280 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.348 -6.232 -3.610 1.00 0.00 H new ATOM 385 N ASN A 23 6.968 -5.192 -2.771 1.00 0.00 N ATOM 386 CA ASN A 23 7.798 -4.132 -2.209 1.00 0.00 C ATOM 387 C ASN A 23 7.161 -2.765 -2.437 1.00 0.00 C ATOM 388 O ASN A 23 6.133 -2.650 -3.105 1.00 0.00 O ATOM 389 CB ASN A 23 9.195 -4.167 -2.830 1.00 0.00 C ATOM 390 CG ASN A 23 9.714 -5.581 -3.008 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.170 -6.211 -2.054 1.00 0.00 O ATOM 392 ND2 ASN A 23 9.647 -6.086 -4.234 1.00 0.00 N ATOM 0 H ASN A 23 7.350 -5.626 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 23 7.881 -4.300 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.172 -3.667 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.884 -3.607 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.981 -7.033 -4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.261 -5.527 -4.995 1.00 0.00 H new ATOM 399 N ARG A 24 7.780 -1.730 -1.879 1.00 0.00 N ATOM 400 CA ARG A 24 7.275 -0.370 -2.020 1.00 0.00 C ATOM 401 C ARG A 24 6.660 -0.159 -3.401 1.00 0.00 C ATOM 402 O ARG A 24 5.490 0.202 -3.520 1.00 0.00 O ATOM 403 CB ARG A 24 8.400 0.642 -1.792 1.00 0.00 C ATOM 404 CG ARG A 24 7.949 2.089 -1.902 1.00 0.00 C ATOM 405 CD ARG A 24 9.093 2.999 -2.321 1.00 0.00 C ATOM 406 NE ARG A 24 8.613 4.248 -2.906 1.00 0.00 N ATOM 407 CZ ARG A 24 9.417 5.213 -3.338 1.00 0.00 C ATOM 408 NH1 ARG A 24 10.733 5.074 -3.251 1.00 0.00 N ATOM 409 NH2 ARG A 24 8.905 6.321 -3.859 1.00 0.00 N ATOM 0 H ARG A 24 8.633 -1.808 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 24 6.501 -0.218 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.830 0.478 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.193 0.461 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.138 2.164 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.551 2.421 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.716 3.221 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.724 2.480 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 24 7.606 4.387 -2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.131 4.224 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.347 5.817 -3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.893 6.432 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.523 7.062 -4.190 1.00 0.00 H new ATOM 423 N GLU A 25 7.457 -0.388 -4.439 1.00 0.00 N ATOM 424 CA GLU A 25 6.991 -0.222 -5.811 1.00 0.00 C ATOM 425 C GLU A 25 5.731 -1.045 -6.061 1.00 0.00 C ATOM 426 O GLU A 25 4.686 -0.505 -6.422 1.00 0.00 O ATOM 427 CB GLU A 25 8.085 -0.632 -6.799 1.00 0.00 C ATOM 428 CG GLU A 25 9.281 0.306 -6.805 1.00 0.00 C ATOM 429 CD GLU A 25 10.350 -0.119 -7.794 1.00 0.00 C ATOM 430 OE1 GLU A 25 11.190 -0.969 -7.431 1.00 0.00 O ATOM 431 OE2 GLU A 25 10.346 0.399 -8.930 1.00 0.00 O ATOM 0 H GLU A 25 8.428 -0.689 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 25 6.753 0.831 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.424 -1.639 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.661 -0.673 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.946 1.314 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.712 0.346 -5.805 1.00 0.00 H new ATOM 438 N GLU A 26 5.839 -2.356 -5.866 1.00 0.00 N ATOM 439 CA GLU A 26 4.709 -3.254 -6.071 1.00 0.00 C ATOM 440 C GLU A 26 3.440 -2.685 -5.443 1.00 0.00 C ATOM 441 O GLU A 26 2.413 -2.546 -6.109 1.00 0.00 O ATOM 442 CB GLU A 26 5.010 -4.632 -5.478 1.00 0.00 C ATOM 443 CG GLU A 26 6.223 -5.309 -6.095 1.00 0.00 C ATOM 444 CD GLU A 26 5.875 -6.116 -7.330 1.00 0.00 C ATOM 445 OE1 GLU A 26 5.910 -5.546 -8.441 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.569 -7.318 -7.187 1.00 0.00 O ATOM 0 H GLU A 26 6.697 -2.819 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 26 4.549 -3.355 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.169 -4.529 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.139 -5.274 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.963 -4.552 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.684 -5.964 -5.356 1.00 0.00 H new ATOM 453 N LEU A 27 3.519 -2.356 -4.159 1.00 0.00 N ATOM 454 CA LEU A 27 2.377 -1.802 -3.439 1.00 0.00 C ATOM 455 C LEU A 27 1.753 -0.646 -4.216 1.00 0.00 C ATOM 456 O LEU A 27 0.561 -0.663 -4.521 1.00 0.00 O ATOM 457 CB LEU A 27 2.807 -1.325 -2.051 1.00 0.00 C ATOM 458 CG LEU A 27 3.456 -2.377 -1.151 1.00 0.00 C ATOM 459 CD1 LEU A 27 3.958 -1.741 0.137 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.474 -3.498 -0.847 1.00 0.00 C ATOM 0 H LEU A 27 4.362 -2.463 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 27 1.630 -2.589 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.507 -0.499 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.931 -0.927 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 27 4.310 -2.802 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.417 -2.505 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.696 -0.974 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.122 -1.288 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.953 -4.237 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.600 -3.089 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.164 -3.972 -1.778 1.00 0.00 H new ATOM 472 N VAL A 28 2.568 0.354 -4.534 1.00 0.00 N ATOM 473 CA VAL A 28 2.097 1.517 -5.278 1.00 0.00 C ATOM 474 C VAL A 28 1.365 1.096 -6.548 1.00 0.00 C ATOM 475 O VAL A 28 0.341 1.678 -6.906 1.00 0.00 O ATOM 476 CB VAL A 28 3.262 2.451 -5.656 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.748 3.664 -6.416 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.028 2.876 -4.412 1.00 0.00 C ATOM 0 H VAL A 28 3.558 0.383 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 28 1.408 2.054 -4.625 1.00 0.00 H new ATOM 0 HB VAL A 28 3.946 1.907 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.585 4.313 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.247 3.337 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.043 4.213 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.848 3.536 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.357 3.403 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.429 1.994 -3.913 1.00 0.00 H new ATOM 488 N GLU A 29 1.896 0.082 -7.223 1.00 0.00 N ATOM 489 CA GLU A 29 1.293 -0.416 -8.453 1.00 0.00 C ATOM 490 C GLU A 29 -0.099 -0.983 -8.186 1.00 0.00 C ATOM 491 O GLU A 29 -1.031 -0.759 -8.959 1.00 0.00 O ATOM 492 CB GLU A 29 2.181 -1.490 -9.085 1.00 0.00 C ATOM 493 CG GLU A 29 1.888 -1.733 -10.556 1.00 0.00 C ATOM 494 CD GLU A 29 2.708 -2.871 -11.133 1.00 0.00 C ATOM 495 OE1 GLU A 29 3.951 -2.816 -11.032 1.00 0.00 O ATOM 496 OE2 GLU A 29 2.107 -3.815 -11.687 1.00 0.00 O ATOM 0 H GLU A 29 2.743 -0.411 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 29 1.199 0.420 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.225 -1.197 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.052 -2.424 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.828 -1.954 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.091 -0.822 -11.119 1.00 0.00 H new ATOM 503 N ARG A 30 -0.230 -1.718 -7.087 1.00 0.00 N ATOM 504 CA ARG A 30 -1.506 -2.319 -6.718 1.00 0.00 C ATOM 505 C ARG A 30 -2.586 -1.252 -6.567 1.00 0.00 C ATOM 506 O ARG A 30 -3.656 -1.346 -7.171 1.00 0.00 O ATOM 507 CB ARG A 30 -1.365 -3.106 -5.413 1.00 0.00 C ATOM 508 CG ARG A 30 -2.646 -3.800 -4.980 1.00 0.00 C ATOM 509 CD ARG A 30 -2.354 -5.032 -4.137 1.00 0.00 C ATOM 510 NE ARG A 30 -1.575 -6.026 -4.871 1.00 0.00 N ATOM 511 CZ ARG A 30 -2.094 -6.834 -5.788 1.00 0.00 C ATOM 512 NH1 ARG A 30 -3.385 -6.765 -6.083 1.00 0.00 N ATOM 513 NH2 ARG A 30 -1.321 -7.712 -6.414 1.00 0.00 N ATOM 0 H ARG A 30 0.531 -1.912 -6.437 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.802 -3.001 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.579 -3.852 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.044 -2.428 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.263 -3.105 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.221 -4.088 -5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.811 -4.737 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.293 -5.478 -3.809 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.578 -6.104 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.982 -6.090 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.781 -7.387 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.327 -7.767 -6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.721 -8.332 -7.118 1.00 0.00 H new ATOM 527 N LEU A 31 -2.300 -0.239 -5.757 1.00 0.00 N ATOM 528 CA LEU A 31 -3.247 0.847 -5.526 1.00 0.00 C ATOM 529 C LEU A 31 -3.624 1.529 -6.837 1.00 0.00 C ATOM 530 O LEU A 31 -4.792 1.835 -7.074 1.00 0.00 O ATOM 531 CB LEU A 31 -2.652 1.871 -4.557 1.00 0.00 C ATOM 532 CG LEU A 31 -2.617 1.460 -3.085 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.647 2.338 -2.309 1.00 0.00 C ATOM 534 CD2 LEU A 31 -4.010 1.534 -2.477 1.00 0.00 C ATOM 0 H LEU A 31 -1.420 -0.147 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.150 0.422 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.634 2.094 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.222 2.796 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.270 0.428 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.635 2.031 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.647 2.234 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.963 3.379 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.966 1.238 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.385 2.555 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.678 0.862 -3.016 1.00 0.00 H new ATOM 546 N GLN A 32 -2.627 1.763 -7.684 1.00 0.00 N ATOM 547 CA GLN A 32 -2.855 2.408 -8.972 1.00 0.00 C ATOM 548 C GLN A 32 -3.840 1.605 -9.816 1.00 0.00 C ATOM 549 O GLN A 32 -4.664 2.172 -10.534 1.00 0.00 O ATOM 550 CB GLN A 32 -1.534 2.571 -9.726 1.00 0.00 C ATOM 551 CG GLN A 32 -0.819 3.878 -9.425 1.00 0.00 C ATOM 552 CD GLN A 32 0.176 4.261 -10.503 1.00 0.00 C ATOM 553 OE1 GLN A 32 1.127 3.528 -10.774 1.00 0.00 O ATOM 554 NE2 GLN A 32 -0.040 5.414 -11.125 1.00 0.00 N ATOM 0 H GLN A 32 -1.654 1.516 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.283 3.393 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.876 1.740 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.727 2.510 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.556 4.674 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.300 3.792 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.842 5.990 -10.868 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.596 5.724 -11.860 1.00 0.00 H new ATOM 563 N SER A 33 -3.749 0.282 -9.724 1.00 0.00 N ATOM 564 CA SER A 33 -4.630 -0.599 -10.482 1.00 0.00 C ATOM 565 C SER A 33 -6.067 -0.493 -9.981 1.00 0.00 C ATOM 566 O SER A 33 -7.005 -0.381 -10.770 1.00 0.00 O ATOM 567 CB SER A 33 -4.147 -2.047 -10.381 1.00 0.00 C ATOM 568 OG SER A 33 -2.977 -2.250 -11.155 1.00 0.00 O ATOM 0 H SER A 33 -3.074 -0.203 -9.132 1.00 0.00 H new ATOM 0 HA SER A 33 -4.605 -0.287 -11.526 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.945 -2.294 -9.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.933 -2.721 -10.722 1.00 0.00 H new ATOM 0 HG SER A 33 -2.205 -1.868 -10.687 1.00 0.00 H new ATOM 574 N TYR A 34 -6.231 -0.530 -8.663 1.00 0.00 N ATOM 575 CA TYR A 34 -7.553 -0.441 -8.055 1.00 0.00 C ATOM 576 C TYR A 34 -8.195 0.913 -8.341 1.00 0.00 C ATOM 577 O TYR A 34 -9.313 0.988 -8.851 1.00 0.00 O ATOM 578 CB TYR A 34 -7.458 -0.664 -6.544 1.00 0.00 C ATOM 579 CG TYR A 34 -8.744 -0.366 -5.807 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.125 0.942 -5.534 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.579 -1.393 -5.383 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.298 1.219 -4.860 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.755 -1.126 -4.709 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.110 0.182 -4.450 1.00 0.00 C ATOM 585 OH TYR A 34 -12.280 0.453 -3.779 1.00 0.00 O ATOM 0 H TYR A 34 -5.465 -0.621 -7.996 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.179 -1.219 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.172 -1.699 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.664 -0.035 -6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.492 1.757 -5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.304 -2.418 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.578 2.242 -4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.393 -1.936 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.735 -0.387 -3.562 1.00 0.00 H new ATOM 595 N THR A 35 -7.478 1.982 -8.010 1.00 0.00 N ATOM 596 CA THR A 35 -7.976 3.334 -8.230 1.00 0.00 C ATOM 597 C THR A 35 -8.363 3.546 -9.689 1.00 0.00 C ATOM 598 O THR A 35 -9.430 4.086 -9.985 1.00 0.00 O ATOM 599 CB THR A 35 -6.928 4.390 -7.830 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.601 4.255 -6.443 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.446 5.795 -8.100 1.00 0.00 C ATOM 0 H THR A 35 -6.550 1.938 -7.588 1.00 0.00 H new ATOM 0 HA THR A 35 -8.859 3.452 -7.602 1.00 0.00 H new ATOM 0 HB THR A 35 -6.033 4.228 -8.431 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.001 3.490 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.689 6.524 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.666 5.904 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.354 5.965 -7.522 1.00 0.00 H new ATOM 609 N ARG A 36 -7.492 3.119 -10.596 1.00 0.00 N ATOM 610 CA ARG A 36 -7.744 3.263 -12.025 1.00 0.00 C ATOM 611 C ARG A 36 -8.923 2.397 -12.459 1.00 0.00 C ATOM 612 O ARG A 36 -9.847 2.875 -13.116 1.00 0.00 O ATOM 613 CB ARG A 36 -6.496 2.883 -12.825 1.00 0.00 C ATOM 614 CG ARG A 36 -6.514 3.389 -14.258 1.00 0.00 C ATOM 615 CD ARG A 36 -5.124 3.365 -14.875 1.00 0.00 C ATOM 616 NE ARG A 36 -4.809 2.067 -15.465 1.00 0.00 N ATOM 617 CZ ARG A 36 -3.759 1.852 -16.249 1.00 0.00 C ATOM 618 NH1 ARG A 36 -2.927 2.843 -16.535 1.00 0.00 N ATOM 619 NH2 ARG A 36 -3.539 0.642 -16.748 1.00 0.00 N ATOM 0 H ARG A 36 -6.605 2.670 -10.367 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.990 4.306 -12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.616 3.280 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.396 1.798 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.188 2.774 -14.854 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.906 4.406 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.054 4.138 -15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.384 3.605 -14.111 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.429 1.283 -15.264 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.092 3.774 -16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.121 2.675 -17.137 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.177 -0.123 -16.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.732 0.478 -17.350 1.00 0.00 H new ATOM 633 N GLN A 37 -8.882 1.121 -12.088 1.00 0.00 N ATOM 634 CA GLN A 37 -9.946 0.189 -12.440 1.00 0.00 C ATOM 635 C GLN A 37 -11.290 0.667 -11.899 1.00 0.00 C ATOM 636 O GLN A 37 -12.209 0.966 -12.663 1.00 0.00 O ATOM 637 CB GLN A 37 -9.632 -1.206 -11.898 1.00 0.00 C ATOM 638 CG GLN A 37 -8.569 -1.943 -12.696 1.00 0.00 C ATOM 639 CD GLN A 37 -9.090 -2.465 -14.020 1.00 0.00 C ATOM 640 OE1 GLN A 37 -9.778 -1.754 -14.754 1.00 0.00 O ATOM 641 NE2 GLN A 37 -8.765 -3.714 -14.334 1.00 0.00 N ATOM 0 H GLN A 37 -8.124 0.710 -11.544 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.008 0.143 -13.527 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.302 -1.119 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.547 -1.799 -11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.729 -1.274 -12.879 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.190 -2.777 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.193 -4.268 -13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.088 -4.119 -15.213 1.00 0.00 H new ATOM 650 N THR A 38 -11.398 0.737 -10.576 1.00 0.00 N ATOM 651 CA THR A 38 -12.629 1.177 -9.932 1.00 0.00 C ATOM 652 C THR A 38 -12.929 2.636 -10.257 1.00 0.00 C ATOM 653 O THR A 38 -14.057 2.987 -10.599 1.00 0.00 O ATOM 654 CB THR A 38 -12.555 1.008 -8.403 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.479 1.792 -7.875 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.356 -0.453 -8.029 1.00 0.00 C ATOM 0 H THR A 38 -10.647 0.494 -9.929 1.00 0.00 H new ATOM 0 HA THR A 38 -13.431 0.549 -10.321 1.00 0.00 H new ATOM 0 HB THR A 38 -13.497 1.351 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.642 1.286 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.307 -0.547 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.191 -1.042 -8.407 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.427 -0.818 -8.467 1.00 0.00 H new ATOM 664 N GLY A 39 -11.910 3.483 -10.147 1.00 0.00 N ATOM 665 CA GLY A 39 -12.085 4.895 -10.433 1.00 0.00 C ATOM 666 C GLY A 39 -12.126 5.741 -9.176 1.00 0.00 C ATOM 667 O GLY A 39 -11.884 6.947 -9.224 1.00 0.00 O ATOM 0 H GLY A 39 -10.967 3.217 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.270 5.237 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.009 5.037 -10.993 1.00 0.00 H new ATOM 671 N ILE A 40 -12.434 5.108 -8.049 1.00 0.00 N ATOM 672 CA ILE A 40 -12.506 5.811 -6.774 1.00 0.00 C ATOM 673 C ILE A 40 -11.117 6.200 -6.281 1.00 0.00 C ATOM 674 O ILE A 40 -10.200 5.378 -6.264 1.00 0.00 O ATOM 675 CB ILE A 40 -13.200 4.955 -5.698 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.629 4.617 -6.127 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.199 5.681 -4.362 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.252 3.497 -5.323 1.00 0.00 C ATOM 0 H ILE A 40 -12.638 4.110 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.094 6.713 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.646 4.023 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.249 5.509 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.627 4.339 -7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.693 5.063 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.172 5.874 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.732 6.627 -4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.264 3.311 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.655 2.592 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.286 3.780 -4.271 1.00 0.00 H new ATOM 690 N VAL A 41 -10.968 7.458 -5.879 1.00 0.00 N ATOM 691 CA VAL A 41 -9.691 7.956 -5.382 1.00 0.00 C ATOM 692 C VAL A 41 -9.493 7.592 -3.915 1.00 0.00 C ATOM 693 O VAL A 41 -10.453 7.515 -3.147 1.00 0.00 O ATOM 694 CB VAL A 41 -9.586 9.484 -5.539 1.00 0.00 C ATOM 695 CG1 VAL A 41 -8.250 9.985 -5.009 1.00 0.00 C ATOM 696 CG2 VAL A 41 -9.775 9.884 -6.994 1.00 0.00 C ATOM 0 H VAL A 41 -11.716 8.151 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.912 7.482 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.379 9.947 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.194 11.067 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.159 9.731 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.439 9.516 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.698 10.967 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.005 9.412 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.758 9.560 -7.336 1.00 0.00 H new ATOM 706 N LEU A 42 -8.241 7.369 -3.530 1.00 0.00 N ATOM 707 CA LEU A 42 -7.915 7.013 -2.154 1.00 0.00 C ATOM 708 C LEU A 42 -6.985 8.048 -1.529 1.00 0.00 C ATOM 709 O LEU A 42 -5.780 8.046 -1.779 1.00 0.00 O ATOM 710 CB LEU A 42 -7.263 5.630 -2.104 1.00 0.00 C ATOM 711 CG LEU A 42 -8.006 4.511 -2.837 1.00 0.00 C ATOM 712 CD1 LEU A 42 -7.098 3.307 -3.033 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.262 4.116 -2.073 1.00 0.00 C ATOM 0 H LEU A 42 -7.435 7.429 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.842 6.992 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.260 5.708 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.151 5.341 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.303 4.880 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.643 2.521 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.229 3.599 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.770 2.936 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.778 3.319 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.988 3.766 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.921 4.980 -1.985 1.00 0.00 H new ATOM 725 N ASN A 43 -7.553 8.931 -0.714 1.00 0.00 N ATOM 726 CA ASN A 43 -6.774 9.971 -0.052 1.00 0.00 C ATOM 727 C ASN A 43 -5.768 9.362 0.920 1.00 0.00 C ATOM 728 O ASN A 43 -5.814 8.166 1.208 1.00 0.00 O ATOM 729 CB ASN A 43 -7.701 10.935 0.693 1.00 0.00 C ATOM 730 CG ASN A 43 -8.779 10.211 1.475 1.00 0.00 C ATOM 731 OD1 ASN A 43 -9.895 10.026 0.990 1.00 0.00 O ATOM 732 ND2 ASN A 43 -8.450 9.797 2.693 1.00 0.00 N ATOM 0 H ASN A 43 -8.549 8.947 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.226 10.522 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.111 11.548 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.168 11.612 -0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.135 9.304 3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.513 9.972 3.055 1.00 0.00 H new ATOM 739 N ARG A 44 -4.861 10.194 1.422 1.00 0.00 N ATOM 740 CA ARG A 44 -3.843 9.738 2.360 1.00 0.00 C ATOM 741 C ARG A 44 -4.302 9.942 3.801 1.00 0.00 C ATOM 742 O ARG A 44 -4.962 10.926 4.135 1.00 0.00 O ATOM 743 CB ARG A 44 -2.528 10.483 2.122 1.00 0.00 C ATOM 744 CG ARG A 44 -1.485 10.237 3.200 1.00 0.00 C ATOM 745 CD ARG A 44 -0.521 11.407 3.319 1.00 0.00 C ATOM 746 NE ARG A 44 0.670 11.059 4.090 1.00 0.00 N ATOM 747 CZ ARG A 44 1.799 11.757 4.054 1.00 0.00 C ATOM 748 NH1 ARG A 44 1.891 12.836 3.288 1.00 0.00 N ATOM 749 NH2 ARG A 44 2.839 11.377 4.784 1.00 0.00 N ATOM 0 H ARG A 44 -4.811 11.187 1.195 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.683 8.673 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.119 10.182 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.732 11.552 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.981 10.074 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.929 9.328 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.225 11.735 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.028 12.247 3.794 1.00 0.00 H new ATOM 0 HE ARG A 44 0.632 10.234 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.093 13.131 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.759 13.371 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.772 10.548 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.706 11.914 4.755 1.00 0.00 H new ATOM 763 N PRO A 45 -3.946 8.990 4.677 1.00 0.00 N ATOM 764 CA PRO A 45 -4.310 9.043 6.095 1.00 0.00 C ATOM 765 C PRO A 45 -3.569 10.145 6.844 1.00 0.00 C ATOM 766 O PRO A 45 -2.486 9.922 7.384 1.00 0.00 O ATOM 767 CB PRO A 45 -3.893 7.667 6.620 1.00 0.00 C ATOM 768 CG PRO A 45 -2.813 7.220 5.697 1.00 0.00 C ATOM 769 CD PRO A 45 -3.160 7.789 4.348 1.00 0.00 C ATOM 0 HA PRO A 45 -5.368 9.266 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.535 7.727 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.732 6.971 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.840 7.578 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.757 6.132 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.267 8.038 3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.736 7.083 3.750 1.00 0.00 H new ATOM 777 N SER A 46 -4.160 11.335 6.872 1.00 0.00 N ATOM 778 CA SER A 46 -3.553 12.474 7.551 1.00 0.00 C ATOM 779 C SER A 46 -4.506 13.057 8.591 1.00 0.00 C ATOM 780 O SER A 46 -5.392 13.844 8.265 1.00 0.00 O ATOM 781 CB SER A 46 -3.166 13.553 6.538 1.00 0.00 C ATOM 782 OG SER A 46 -2.085 14.336 7.015 1.00 0.00 O ATOM 0 H SER A 46 -5.058 11.536 6.433 1.00 0.00 H new ATOM 0 HA SER A 46 -2.655 12.125 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.892 13.086 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.024 14.195 6.340 1.00 0.00 H new ATOM 0 HG SER A 46 -1.856 15.017 6.349 1.00 0.00 H new ATOM 788 N GLY A 47 -4.315 12.662 9.847 1.00 0.00 N ATOM 789 CA GLY A 47 -5.164 13.153 10.916 1.00 0.00 C ATOM 790 C GLY A 47 -4.517 13.014 12.280 1.00 0.00 C ATOM 791 O GLY A 47 -3.755 13.876 12.720 1.00 0.00 O ATOM 0 H GLY A 47 -3.587 12.011 10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.401 14.201 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.107 12.606 10.907 1.00 0.00 H new ATOM 795 N PRO A 48 -4.821 11.908 12.974 1.00 0.00 N ATOM 796 CA PRO A 48 -4.275 11.634 14.307 1.00 0.00 C ATOM 797 C PRO A 48 -2.784 11.318 14.268 1.00 0.00 C ATOM 798 O PRO A 48 -2.023 11.767 15.125 1.00 0.00 O ATOM 799 CB PRO A 48 -5.070 10.410 14.770 1.00 0.00 C ATOM 800 CG PRO A 48 -5.500 9.739 13.512 1.00 0.00 C ATOM 801 CD PRO A 48 -5.722 10.838 12.511 1.00 0.00 C ATOM 0 HA PRO A 48 -4.366 12.494 14.970 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.457 9.748 15.382 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.928 10.701 15.376 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.739 9.041 13.163 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.413 9.164 13.669 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.476 10.516 11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.762 11.166 12.498 1.00 0.00 H new ATOM 809 N SER A 49 -2.374 10.542 13.270 1.00 0.00 N ATOM 810 CA SER A 49 -0.973 10.164 13.122 1.00 0.00 C ATOM 811 C SER A 49 -0.273 11.058 12.104 1.00 0.00 C ATOM 812 O SER A 49 -0.776 11.276 11.002 1.00 0.00 O ATOM 813 CB SER A 49 -0.861 8.699 12.693 1.00 0.00 C ATOM 814 OG SER A 49 -1.338 7.833 13.708 1.00 0.00 O ATOM 0 H SER A 49 -2.991 10.163 12.552 1.00 0.00 H new ATOM 0 HA SER A 49 -0.484 10.292 14.088 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.431 8.540 11.778 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.178 8.461 12.467 1.00 0.00 H new ATOM 0 HG SER A 49 -1.257 6.903 13.409 1.00 0.00 H new ATOM 820 N SER A 50 0.892 11.575 12.483 1.00 0.00 N ATOM 821 CA SER A 50 1.661 12.450 11.605 1.00 0.00 C ATOM 822 C SER A 50 2.423 11.639 10.562 1.00 0.00 C ATOM 823 O SER A 50 3.544 11.194 10.802 1.00 0.00 O ATOM 824 CB SER A 50 2.639 13.296 12.423 1.00 0.00 C ATOM 825 OG SER A 50 3.515 14.023 11.579 1.00 0.00 O ATOM 0 H SER A 50 1.324 11.403 13.391 1.00 0.00 H new ATOM 0 HA SER A 50 0.964 13.110 11.089 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.084 13.987 13.058 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.218 12.651 13.084 1.00 0.00 H new ATOM 0 HG SER A 50 4.129 14.556 12.126 1.00 0.00 H new ATOM 831 N GLY A 51 1.804 11.451 9.400 1.00 0.00 N ATOM 832 CA GLY A 51 2.437 10.694 8.336 1.00 0.00 C ATOM 833 C GLY A 51 3.821 11.213 7.998 1.00 0.00 C ATOM 834 O GLY A 51 4.314 11.009 6.890 1.00 0.00 O ATOM 0 H GLY A 51 0.876 11.810 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.507 9.647 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.810 10.732 7.445 1.00 0.00 H new TER 838 GLY A 51