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 33 SER OG : rot 180:sc= 0.0482 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.96 K(o=-0.91,f=-1.9!) USER MOD Set 2.1: A 1 TYR OH : rot -167:sc= 0.0436 USER MOD Set 2.2: A 35 THR OG1 : rot -69:sc= 0.248 USER MOD Single : A 7 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.1) USER MOD Single : A -1 SER OG : rot 180:sc= -0.122 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 34:sc= 0.179 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= 0.265 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 23 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00579 K(o=-0.0058,f=-0.51) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -61:sc= 0.779 USER MOD Single : A 43 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.89) USER MOD Single : A 46 SER OG : rot 19:sc= 0.174 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 71:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -10.935 24.680 -1.452 1.00 0.00 N ATOM 2 CA GLY A -6 -10.924 23.599 -2.421 1.00 0.00 C ATOM 3 C GLY A -6 -9.960 22.492 -2.043 1.00 0.00 C ATOM 4 O GLY A -6 -8.819 22.755 -1.663 1.00 0.00 O ATOM 0 H1 GLY A -6 -11.609 25.411 -1.755 1.00 0.00 H new ATOM 0 H2 GLY A -6 -11.220 24.310 -0.523 1.00 0.00 H new ATOM 0 H3 GLY A -6 -9.983 25.094 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -11.929 23.186 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -10.652 23.995 -3.400 1.00 0.00 H new ATOM 8 N SER A -5 -10.419 21.249 -2.145 1.00 0.00 N ATOM 9 CA SER A -5 -9.592 20.097 -1.805 1.00 0.00 C ATOM 10 C SER A -5 -8.298 20.101 -2.614 1.00 0.00 C ATOM 11 O SER A -5 -8.321 20.019 -3.842 1.00 0.00 O ATOM 12 CB SER A -5 -10.360 18.798 -2.056 1.00 0.00 C ATOM 13 OG SER A -5 -10.912 18.776 -3.361 1.00 0.00 O ATOM 0 H SER A -5 -11.360 21.014 -2.461 1.00 0.00 H new ATOM 0 HA SER A -5 -9.340 20.162 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A -5 -9.692 17.946 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A -5 -11.156 18.694 -1.319 1.00 0.00 H new ATOM 0 HG SER A -5 -10.311 19.243 -3.978 1.00 0.00 H new ATOM 19 N SER A -4 -7.171 20.196 -1.916 1.00 0.00 N ATOM 20 CA SER A -4 -5.867 20.214 -2.568 1.00 0.00 C ATOM 21 C SER A -4 -5.749 19.077 -3.578 1.00 0.00 C ATOM 22 O SER A -4 -5.386 19.293 -4.734 1.00 0.00 O ATOM 23 CB SER A -4 -4.751 20.105 -1.527 1.00 0.00 C ATOM 24 OG SER A -4 -3.476 20.243 -2.130 1.00 0.00 O ATOM 0 H SER A -4 -7.135 20.262 -0.899 1.00 0.00 H new ATOM 0 HA SER A -4 -5.767 21.160 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A -4 -4.882 20.875 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A -4 -4.815 19.142 -1.020 1.00 0.00 H new ATOM 0 HG SER A -4 -2.780 20.171 -1.444 1.00 0.00 H new ATOM 30 N GLY A -3 -6.058 17.863 -3.132 1.00 0.00 N ATOM 31 CA GLY A -3 -5.980 16.709 -4.009 1.00 0.00 C ATOM 32 C GLY A -3 -5.113 15.605 -3.438 1.00 0.00 C ATOM 33 O GLY A -3 -5.550 14.848 -2.571 1.00 0.00 O ATOM 0 H GLY A -3 -6.361 17.658 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -6.984 16.323 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -5.581 17.017 -4.975 1.00 0.00 H new ATOM 37 N SER A -2 -3.880 15.511 -3.926 1.00 0.00 N ATOM 38 CA SER A -2 -2.951 14.487 -3.463 1.00 0.00 C ATOM 39 C SER A -2 -1.569 14.689 -4.079 1.00 0.00 C ATOM 40 O SER A -2 -1.421 15.383 -5.084 1.00 0.00 O ATOM 41 CB SER A -2 -3.478 13.094 -3.811 1.00 0.00 C ATOM 42 OG SER A -2 -2.755 12.088 -3.123 1.00 0.00 O ATOM 0 H SER A -2 -3.501 16.131 -4.642 1.00 0.00 H new ATOM 0 HA SER A -2 -2.864 14.574 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A -2 -4.535 13.027 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A -2 -3.401 12.931 -4.886 1.00 0.00 H new ATOM 0 HG SER A -2 -3.112 11.207 -3.361 1.00 0.00 H new ATOM 48 N SER A -1 -0.561 14.076 -3.467 1.00 0.00 N ATOM 49 CA SER A -1 0.810 14.190 -3.952 1.00 0.00 C ATOM 50 C SER A -1 1.301 12.859 -4.512 1.00 0.00 C ATOM 51 O SER A -1 2.464 12.494 -4.345 1.00 0.00 O ATOM 52 CB SER A -1 1.734 14.655 -2.825 1.00 0.00 C ATOM 53 OG SER A -1 2.048 13.587 -1.949 1.00 0.00 O ATOM 0 H SER A -1 -0.667 13.496 -2.635 1.00 0.00 H new ATOM 0 HA SER A -1 0.826 14.929 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.651 15.064 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.255 15.459 -2.266 1.00 0.00 H new ATOM 0 HG SER A -1 2.641 13.910 -1.239 1.00 0.00 H new ATOM 59 N GLY A 0 0.405 12.137 -5.177 1.00 0.00 N ATOM 60 CA GLY A 0 0.765 10.854 -5.751 1.00 0.00 C ATOM 61 C GLY A 0 1.150 9.834 -4.698 1.00 0.00 C ATOM 62 O GLY A 0 1.750 10.180 -3.679 1.00 0.00 O ATOM 0 H GLY A 0 -0.564 12.418 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.074 10.472 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.597 10.989 -6.442 1.00 0.00 H new ATOM 66 N TYR A 1 0.805 8.575 -4.941 1.00 0.00 N ATOM 67 CA TYR A 1 1.115 7.503 -4.003 1.00 0.00 C ATOM 68 C TYR A 1 2.617 7.421 -3.746 1.00 0.00 C ATOM 69 O TYR A 1 3.054 7.208 -2.616 1.00 0.00 O ATOM 70 CB TYR A 1 0.605 6.164 -4.539 1.00 0.00 C ATOM 71 CG TYR A 1 -0.903 6.046 -4.538 1.00 0.00 C ATOM 72 CD1 TYR A 1 -1.642 6.346 -3.401 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.587 5.637 -5.676 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.020 6.239 -3.396 1.00 0.00 C ATOM 75 CE2 TYR A 1 -2.965 5.528 -5.680 1.00 0.00 C ATOM 76 CZ TYR A 1 -3.676 5.830 -4.538 1.00 0.00 C ATOM 77 OH TYR A 1 -5.048 5.724 -4.537 1.00 0.00 O ATOM 0 H TYR A 1 0.310 8.271 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 1 0.614 7.724 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.971 6.026 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 1 1.025 5.358 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.131 6.668 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.033 5.400 -6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.580 6.474 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.482 5.208 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.339 5.234 -5.334 1.00 0.00 H new ATOM 87 N GLY A 2 3.402 7.593 -4.805 1.00 0.00 N ATOM 88 CA GLY A 2 4.846 7.536 -4.674 1.00 0.00 C ATOM 89 C GLY A 2 5.345 8.257 -3.437 1.00 0.00 C ATOM 90 O GLY A 2 6.376 7.892 -2.872 1.00 0.00 O ATOM 0 H GLY A 2 3.064 7.771 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.163 6.494 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.306 7.977 -5.558 1.00 0.00 H new ATOM 94 N ALA A 3 4.614 9.283 -3.016 1.00 0.00 N ATOM 95 CA ALA A 3 4.988 10.056 -1.838 1.00 0.00 C ATOM 96 C ALA A 3 4.440 9.418 -0.566 1.00 0.00 C ATOM 97 O ALA A 3 4.205 10.101 0.431 1.00 0.00 O ATOM 98 CB ALA A 3 4.492 11.489 -1.968 1.00 0.00 C ATOM 0 H ALA A 3 3.759 9.599 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 3 6.076 10.064 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.778 12.055 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.936 11.949 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.406 11.491 -2.065 1.00 0.00 H new ATOM 104 N TRP A 4 4.237 8.106 -0.608 1.00 0.00 N ATOM 105 CA TRP A 4 3.716 7.376 0.542 1.00 0.00 C ATOM 106 C TRP A 4 4.796 6.498 1.165 1.00 0.00 C ATOM 107 O TRP A 4 5.951 6.524 0.741 1.00 0.00 O ATOM 108 CB TRP A 4 2.520 6.517 0.127 1.00 0.00 C ATOM 109 CG TRP A 4 1.270 7.312 -0.102 1.00 0.00 C ATOM 110 CD1 TRP A 4 1.187 8.599 -0.552 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.076 6.871 0.110 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.129 8.985 -0.632 1.00 0.00 N ATOM 113 CE2 TRP A 4 -0.924 7.943 -0.233 1.00 0.00 C ATOM 114 CE3 TRP A 4 -0.648 5.676 0.553 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.310 7.853 -0.144 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.024 5.588 0.641 1.00 0.00 C ATOM 117 CH2 TRP A 4 -2.843 6.671 0.293 1.00 0.00 C ATOM 0 H TRP A 4 4.425 7.526 -1.426 1.00 0.00 H new ATOM 0 HA TRP A 4 3.392 8.103 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.770 5.975 -0.785 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.332 5.771 0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.032 9.222 -0.807 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -0.461 9.899 -0.939 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.025 4.836 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.943 8.687 -0.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.476 4.669 0.984 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.915 6.571 0.371 1.00 0.00 H new ATOM 128 N ALA A 5 4.413 5.722 2.174 1.00 0.00 N ATOM 129 CA ALA A 5 5.348 4.835 2.853 1.00 0.00 C ATOM 130 C ALA A 5 4.772 3.430 2.990 1.00 0.00 C ATOM 131 O ALA A 5 3.556 3.250 3.042 1.00 0.00 O ATOM 132 CB ALA A 5 5.709 5.395 4.221 1.00 0.00 C ATOM 0 H ALA A 5 3.461 5.690 2.539 1.00 0.00 H new ATOM 0 HA ALA A 5 6.253 4.771 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.408 4.722 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.171 6.375 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.807 5.490 4.825 1.00 0.00 H new ATOM 138 N ALA A 6 5.653 2.437 3.046 1.00 0.00 N ATOM 139 CA ALA A 6 5.231 1.048 3.178 1.00 0.00 C ATOM 140 C ALA A 6 3.993 0.931 4.061 1.00 0.00 C ATOM 141 O ALA A 6 2.986 0.352 3.658 1.00 0.00 O ATOM 142 CB ALA A 6 6.365 0.203 3.742 1.00 0.00 C ATOM 0 H ALA A 6 6.664 2.569 3.002 1.00 0.00 H new ATOM 0 HA ALA A 6 4.974 0.677 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.036 -0.832 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.223 0.252 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.649 0.583 4.723 1.00 0.00 H new ATOM 148 N GLN A 7 4.077 1.485 5.266 1.00 0.00 N ATOM 149 CA GLN A 7 2.963 1.442 6.206 1.00 0.00 C ATOM 150 C GLN A 7 1.689 1.982 5.565 1.00 0.00 C ATOM 151 O GLN A 7 0.720 1.248 5.375 1.00 0.00 O ATOM 152 CB GLN A 7 3.297 2.247 7.463 1.00 0.00 C ATOM 153 CG GLN A 7 4.127 1.476 8.476 1.00 0.00 C ATOM 154 CD GLN A 7 5.379 0.874 7.868 1.00 0.00 C ATOM 155 OE1 GLN A 7 6.263 1.591 7.400 1.00 0.00 O ATOM 156 NE2 GLN A 7 5.460 -0.452 7.872 1.00 0.00 N ATOM 0 H GLN A 7 4.905 1.969 5.614 1.00 0.00 H new ATOM 0 HA GLN A 7 2.795 0.402 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.837 3.149 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.369 2.569 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.408 2.142 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.519 0.681 8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.703 -1.008 8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.279 -0.914 7.476 1.00 0.00 H new ATOM 165 N GLU A 8 1.699 3.270 5.235 1.00 0.00 N ATOM 166 CA GLU A 8 0.543 3.908 4.616 1.00 0.00 C ATOM 167 C GLU A 8 -0.028 3.036 3.501 1.00 0.00 C ATOM 168 O GLU A 8 -1.181 2.607 3.562 1.00 0.00 O ATOM 169 CB GLU A 8 0.927 5.280 4.059 1.00 0.00 C ATOM 170 CG GLU A 8 1.592 6.187 5.081 1.00 0.00 C ATOM 171 CD GLU A 8 0.795 6.303 6.365 1.00 0.00 C ATOM 172 OE1 GLU A 8 0.632 5.277 7.058 1.00 0.00 O ATOM 173 OE2 GLU A 8 0.334 7.421 6.678 1.00 0.00 O ATOM 0 H GLU A 8 2.494 3.891 5.386 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.222 4.036 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.601 5.144 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.032 5.771 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.587 5.803 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.724 7.179 4.649 1.00 0.00 H new ATOM 180 N LEU A 9 0.787 2.779 2.484 1.00 0.00 N ATOM 181 CA LEU A 9 0.364 1.959 1.354 1.00 0.00 C ATOM 182 C LEU A 9 -0.276 0.659 1.833 1.00 0.00 C ATOM 183 O LEU A 9 -1.416 0.353 1.486 1.00 0.00 O ATOM 184 CB LEU A 9 1.557 1.649 0.448 1.00 0.00 C ATOM 185 CG LEU A 9 2.272 2.858 -0.156 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.674 2.479 -0.608 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.470 3.426 -1.319 1.00 0.00 C ATOM 0 H LEU A 9 1.744 3.126 2.419 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.379 2.521 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.283 1.072 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.213 1.011 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 9 2.356 3.627 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.167 3.352 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.247 2.120 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.614 1.692 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.994 4.286 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.354 2.663 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.487 3.737 -0.966 1.00 0.00 H new ATOM 199 N GLN A 10 0.466 -0.099 2.634 1.00 0.00 N ATOM 200 CA GLN A 10 -0.030 -1.364 3.162 1.00 0.00 C ATOM 201 C GLN A 10 -1.402 -1.186 3.803 1.00 0.00 C ATOM 202 O GLN A 10 -2.391 -1.756 3.344 1.00 0.00 O ATOM 203 CB GLN A 10 0.954 -1.935 4.185 1.00 0.00 C ATOM 204 CG GLN A 10 2.184 -2.571 3.557 1.00 0.00 C ATOM 205 CD GLN A 10 3.115 -3.182 4.586 1.00 0.00 C ATOM 206 OE1 GLN A 10 2.850 -3.130 5.788 1.00 0.00 O ATOM 207 NE2 GLN A 10 4.213 -3.765 4.119 1.00 0.00 N ATOM 0 H GLN A 10 1.412 0.141 2.931 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.126 -2.063 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.271 -1.137 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.441 -2.679 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.870 -3.342 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.725 -1.818 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.392 -3.785 3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.877 -4.193 4.764 1.00 0.00 H new ATOM 216 N ALA A 11 -1.454 -0.393 4.868 1.00 0.00 N ATOM 217 CA ALA A 11 -2.705 -0.138 5.571 1.00 0.00 C ATOM 218 C ALA A 11 -3.880 -0.085 4.600 1.00 0.00 C ATOM 219 O ALA A 11 -4.872 -0.794 4.770 1.00 0.00 O ATOM 220 CB ALA A 11 -2.612 1.158 6.362 1.00 0.00 C ATOM 0 H ALA A 11 -0.644 0.084 5.263 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.877 -0.961 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.554 1.335 6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.804 1.083 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.412 1.986 5.682 1.00 0.00 H new ATOM 226 N LYS A 12 -3.762 0.761 3.582 1.00 0.00 N ATOM 227 CA LYS A 12 -4.813 0.907 2.583 1.00 0.00 C ATOM 228 C LYS A 12 -5.084 -0.419 1.880 1.00 0.00 C ATOM 229 O LYS A 12 -6.237 -0.796 1.667 1.00 0.00 O ATOM 230 CB LYS A 12 -4.423 1.971 1.554 1.00 0.00 C ATOM 231 CG LYS A 12 -4.501 3.391 2.088 1.00 0.00 C ATOM 232 CD LYS A 12 -5.836 3.661 2.761 1.00 0.00 C ATOM 233 CE LYS A 12 -6.192 5.140 2.718 1.00 0.00 C ATOM 234 NZ LYS A 12 -7.572 5.392 3.219 1.00 0.00 N ATOM 0 H LYS A 12 -2.948 1.356 3.428 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.724 1.220 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.407 1.776 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.076 1.882 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.693 3.558 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.355 4.097 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.617 3.083 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.797 3.325 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.479 5.703 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.105 5.505 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.035 6.102 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.118 4.507 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.528 5.743 4.197 1.00 0.00 H new ATOM 248 N LEU A 13 -4.016 -1.123 1.523 1.00 0.00 N ATOM 249 CA LEU A 13 -4.139 -2.409 0.845 1.00 0.00 C ATOM 250 C LEU A 13 -4.802 -3.441 1.752 1.00 0.00 C ATOM 251 O LEU A 13 -5.359 -4.431 1.278 1.00 0.00 O ATOM 252 CB LEU A 13 -2.762 -2.910 0.405 1.00 0.00 C ATOM 253 CG LEU A 13 -2.075 -2.102 -0.697 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.792 -2.788 -1.140 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.013 -1.907 -1.879 1.00 0.00 C ATOM 0 H LEU A 13 -3.055 -0.825 1.692 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.766 -2.269 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.108 -2.927 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.864 -3.940 0.063 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.819 -1.121 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.317 -2.199 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.114 -2.875 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.024 -3.782 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.507 -1.330 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.300 -2.879 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.904 -1.372 -1.552 1.00 0.00 H new ATOM 267 N ALA A 14 -4.739 -3.202 3.057 1.00 0.00 N ATOM 268 CA ALA A 14 -5.336 -4.108 4.030 1.00 0.00 C ATOM 269 C ALA A 14 -6.797 -3.752 4.287 1.00 0.00 C ATOM 270 O ALA A 14 -7.656 -4.630 4.353 1.00 0.00 O ATOM 271 CB ALA A 14 -4.548 -4.081 5.331 1.00 0.00 C ATOM 0 H ALA A 14 -4.280 -2.388 3.465 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.301 -5.117 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.006 -4.763 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.521 -4.391 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.552 -3.070 5.738 1.00 0.00 H new ATOM 277 N GLU A 15 -7.069 -2.459 4.432 1.00 0.00 N ATOM 278 CA GLU A 15 -8.427 -1.989 4.684 1.00 0.00 C ATOM 279 C GLU A 15 -9.356 -2.369 3.535 1.00 0.00 C ATOM 280 O GLU A 15 -10.499 -2.772 3.754 1.00 0.00 O ATOM 281 CB GLU A 15 -8.436 -0.472 4.881 1.00 0.00 C ATOM 282 CG GLU A 15 -8.632 0.308 3.591 1.00 0.00 C ATOM 283 CD GLU A 15 -8.360 1.791 3.759 1.00 0.00 C ATOM 284 OE1 GLU A 15 -7.474 2.145 4.565 1.00 0.00 O ATOM 285 OE2 GLU A 15 -9.034 2.597 3.084 1.00 0.00 O ATOM 0 H GLU A 15 -6.369 -1.719 4.379 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.788 -2.469 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.231 -0.209 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.495 -0.168 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.971 -0.094 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.653 0.167 3.237 1.00 0.00 H new ATOM 292 N ILE A 16 -8.857 -2.238 2.310 1.00 0.00 N ATOM 293 CA ILE A 16 -9.642 -2.568 1.127 1.00 0.00 C ATOM 294 C ILE A 16 -9.806 -4.077 0.980 1.00 0.00 C ATOM 295 O ILE A 16 -10.500 -4.552 0.081 1.00 0.00 O ATOM 296 CB ILE A 16 -8.994 -2.007 -0.153 1.00 0.00 C ATOM 297 CG1 ILE A 16 -7.683 -2.738 -0.450 1.00 0.00 C ATOM 298 CG2 ILE A 16 -8.753 -0.512 -0.012 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.035 -2.313 -1.749 1.00 0.00 C ATOM 0 H ILE A 16 -7.913 -1.906 2.111 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.622 -2.109 1.260 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.675 -2.169 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.985 -2.563 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.874 -3.811 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.295 -0.130 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.703 -0.005 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.088 -0.329 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.111 -2.872 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.715 -2.514 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.812 -1.247 -1.713 1.00 0.00 H new ATOM 311 N GLY A 17 -9.165 -4.827 1.871 1.00 0.00 N ATOM 312 CA GLY A 17 -9.254 -6.275 1.825 1.00 0.00 C ATOM 313 C GLY A 17 -8.241 -6.888 0.880 1.00 0.00 C ATOM 314 O GLY A 17 -8.510 -7.908 0.246 1.00 0.00 O ATOM 0 H GLY A 17 -8.585 -4.457 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.102 -6.677 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.258 -6.565 1.514 1.00 0.00 H new ATOM 318 N ALA A 18 -7.071 -6.265 0.783 1.00 0.00 N ATOM 319 CA ALA A 18 -6.013 -6.756 -0.091 1.00 0.00 C ATOM 320 C ALA A 18 -4.777 -7.151 0.710 1.00 0.00 C ATOM 321 O ALA A 18 -4.514 -6.624 1.791 1.00 0.00 O ATOM 322 CB ALA A 18 -5.656 -5.704 -1.131 1.00 0.00 C ATOM 0 H ALA A 18 -6.832 -5.419 1.300 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.382 -7.645 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.865 -6.085 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.535 -5.474 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.312 -4.799 -0.630 1.00 0.00 H new ATOM 328 N PRO A 19 -4.000 -8.102 0.171 1.00 0.00 N ATOM 329 CA PRO A 19 -2.779 -8.589 0.819 1.00 0.00 C ATOM 330 C PRO A 19 -1.668 -7.544 0.822 1.00 0.00 C ATOM 331 O PRO A 19 -1.380 -6.929 -0.205 1.00 0.00 O ATOM 332 CB PRO A 19 -2.379 -9.793 -0.036 1.00 0.00 C ATOM 333 CG PRO A 19 -2.975 -9.522 -1.375 1.00 0.00 C ATOM 334 CD PRO A 19 -4.253 -8.774 -1.115 1.00 0.00 C ATOM 0 HA PRO A 19 -2.944 -8.831 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.295 -9.892 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.760 -10.723 0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.297 -8.933 -1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.169 -10.451 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.467 -8.057 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.108 -9.448 -1.055 1.00 0.00 H new ATOM 342 N ILE A 20 -1.048 -7.350 1.981 1.00 0.00 N ATOM 343 CA ILE A 20 0.032 -6.381 2.116 1.00 0.00 C ATOM 344 C ILE A 20 1.365 -6.978 1.676 1.00 0.00 C ATOM 345 O ILE A 20 2.376 -6.837 2.362 1.00 0.00 O ATOM 346 CB ILE A 20 0.162 -5.880 3.566 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.431 -7.052 4.512 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.098 -5.135 3.984 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.832 -6.624 5.906 1.00 0.00 C ATOM 0 H ILE A 20 -1.275 -7.851 2.840 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.218 -5.539 1.470 1.00 0.00 H new ATOM 0 HB ILE A 20 1.005 -5.191 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.464 -7.671 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.220 -7.675 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.991 -4.787 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.251 -4.280 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.956 -5.804 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.007 -7.507 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.745 -6.030 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.034 -6.026 6.347 1.00 0.00 H new ATOM 361 N GLN A 21 1.357 -7.644 0.525 1.00 0.00 N ATOM 362 CA GLN A 21 2.566 -8.262 -0.007 1.00 0.00 C ATOM 363 C GLN A 21 3.160 -7.417 -1.130 1.00 0.00 C ATOM 364 O GLN A 21 2.464 -6.614 -1.750 1.00 0.00 O ATOM 365 CB GLN A 21 2.261 -9.670 -0.520 1.00 0.00 C ATOM 366 CG GLN A 21 2.319 -10.737 0.562 1.00 0.00 C ATOM 367 CD GLN A 21 2.573 -12.123 0.001 1.00 0.00 C ATOM 368 OE1 GLN A 21 2.173 -12.434 -1.121 1.00 0.00 O ATOM 369 NE2 GLN A 21 3.242 -12.964 0.782 1.00 0.00 N ATOM 0 H GLN A 21 0.528 -7.769 -0.056 1.00 0.00 H new ATOM 0 HA GLN A 21 3.296 -8.327 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.269 -9.676 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.972 -9.923 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.107 -10.487 1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.380 -10.739 1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.555 -12.664 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.443 -13.910 0.458 1.00 0.00 H new ATOM 378 N GLY A 22 4.451 -7.604 -1.384 1.00 0.00 N ATOM 379 CA GLY A 22 5.117 -6.852 -2.432 1.00 0.00 C ATOM 380 C GLY A 22 5.957 -5.715 -1.884 1.00 0.00 C ATOM 381 O GLY A 22 5.768 -5.286 -0.747 1.00 0.00 O ATOM 0 H GLY A 22 5.048 -8.262 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.752 -7.524 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.371 -6.451 -3.118 1.00 0.00 H new ATOM 385 N ASN A 23 6.890 -5.226 -2.695 1.00 0.00 N ATOM 386 CA ASN A 23 7.764 -4.133 -2.285 1.00 0.00 C ATOM 387 C ASN A 23 7.075 -2.785 -2.475 1.00 0.00 C ATOM 388 O ASN A 23 6.007 -2.702 -3.081 1.00 0.00 O ATOM 389 CB ASN A 23 9.069 -4.169 -3.082 1.00 0.00 C ATOM 390 CG ASN A 23 9.937 -5.358 -2.717 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.894 -5.230 -1.953 1.00 0.00 O ATOM 392 ND2 ASN A 23 9.606 -6.522 -3.264 1.00 0.00 N ATOM 0 H ASN A 23 7.060 -5.570 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 23 7.990 -4.259 -1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.840 -4.203 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.625 -3.249 -2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.153 -7.357 -3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.804 -6.581 -3.892 1.00 0.00 H new ATOM 399 N ARG A 24 7.695 -1.731 -1.954 1.00 0.00 N ATOM 400 CA ARG A 24 7.142 -0.387 -2.066 1.00 0.00 C ATOM 401 C ARG A 24 6.523 -0.167 -3.443 1.00 0.00 C ATOM 402 O ARG A 24 5.397 0.314 -3.557 1.00 0.00 O ATOM 403 CB ARG A 24 8.230 0.658 -1.811 1.00 0.00 C ATOM 404 CG ARG A 24 7.777 2.085 -2.070 1.00 0.00 C ATOM 405 CD ARG A 24 8.961 3.017 -2.275 1.00 0.00 C ATOM 406 NE ARG A 24 8.547 4.327 -2.770 1.00 0.00 N ATOM 407 CZ ARG A 24 9.377 5.354 -2.913 1.00 0.00 C ATOM 408 NH1 ARG A 24 10.659 5.224 -2.600 1.00 0.00 N ATOM 409 NH2 ARG A 24 8.925 6.515 -3.370 1.00 0.00 N ATOM 0 H ARG A 24 8.580 -1.782 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 24 6.361 -0.279 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.567 0.575 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.089 0.438 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.136 2.110 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.178 2.436 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.495 3.138 -1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.659 2.567 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 24 7.567 4.461 -3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.010 4.333 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.294 6.015 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.940 6.619 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.563 7.303 -3.480 1.00 0.00 H new ATOM 423 N GLU A 25 7.269 -0.521 -4.485 1.00 0.00 N ATOM 424 CA GLU A 25 6.793 -0.360 -5.854 1.00 0.00 C ATOM 425 C GLU A 25 5.509 -1.152 -6.080 1.00 0.00 C ATOM 426 O GLU A 25 4.511 -0.612 -6.555 1.00 0.00 O ATOM 427 CB GLU A 25 7.866 -0.813 -6.847 1.00 0.00 C ATOM 428 CG GLU A 25 8.972 0.207 -7.055 1.00 0.00 C ATOM 429 CD GLU A 25 9.586 0.677 -5.751 1.00 0.00 C ATOM 430 OE1 GLU A 25 9.016 1.593 -5.122 1.00 0.00 O ATOM 431 OE2 GLU A 25 10.637 0.128 -5.359 1.00 0.00 O ATOM 0 H GLU A 25 8.204 -0.921 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 25 6.581 0.697 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.305 -1.746 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.395 -1.026 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.750 -0.229 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.572 1.066 -7.594 1.00 0.00 H new ATOM 438 N GLU A 26 5.543 -2.436 -5.736 1.00 0.00 N ATOM 439 CA GLU A 26 4.382 -3.302 -5.903 1.00 0.00 C ATOM 440 C GLU A 26 3.149 -2.692 -5.243 1.00 0.00 C ATOM 441 O GLU A 26 2.070 -2.649 -5.836 1.00 0.00 O ATOM 442 CB GLU A 26 4.660 -4.685 -5.310 1.00 0.00 C ATOM 443 CG GLU A 26 5.755 -5.450 -6.035 1.00 0.00 C ATOM 444 CD GLU A 26 5.239 -6.192 -7.252 1.00 0.00 C ATOM 445 OE1 GLU A 26 4.414 -7.114 -7.080 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.661 -5.851 -8.377 1.00 0.00 O ATOM 0 H GLU A 26 6.361 -2.899 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 26 4.188 -3.405 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.940 -4.572 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.742 -5.272 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.537 -4.755 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.213 -6.161 -5.347 1.00 0.00 H new ATOM 453 N LEU A 27 3.316 -2.223 -4.012 1.00 0.00 N ATOM 454 CA LEU A 27 2.216 -1.615 -3.269 1.00 0.00 C ATOM 455 C LEU A 27 1.597 -0.465 -4.057 1.00 0.00 C ATOM 456 O LEU A 27 0.396 -0.461 -4.328 1.00 0.00 O ATOM 457 CB LEU A 27 2.709 -1.111 -1.912 1.00 0.00 C ATOM 458 CG LEU A 27 3.489 -2.117 -1.065 1.00 0.00 C ATOM 459 CD1 LEU A 27 4.198 -1.414 0.082 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.562 -3.202 -0.536 1.00 0.00 C ATOM 0 H LEU A 27 4.202 -2.251 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 27 1.452 -2.376 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.342 -0.239 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.847 -0.774 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 27 4.242 -2.587 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.748 -2.146 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.893 -0.675 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.463 -0.916 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.135 -3.909 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.785 -2.749 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.101 -3.727 -1.373 1.00 0.00 H new ATOM 472 N VAL A 28 2.425 0.508 -4.424 1.00 0.00 N ATOM 473 CA VAL A 28 1.959 1.661 -5.184 1.00 0.00 C ATOM 474 C VAL A 28 1.166 1.227 -6.412 1.00 0.00 C ATOM 475 O VAL A 28 0.015 1.624 -6.591 1.00 0.00 O ATOM 476 CB VAL A 28 3.135 2.549 -5.634 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.631 3.734 -6.444 1.00 0.00 C ATOM 478 CG2 VAL A 28 3.939 3.018 -4.430 1.00 0.00 C ATOM 0 H VAL A 28 3.422 0.520 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 28 1.311 2.235 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 28 3.791 1.957 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.476 4.349 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.103 3.373 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.952 4.330 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.766 3.644 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.295 3.593 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.333 2.153 -3.896 1.00 0.00 H new ATOM 488 N GLU A 29 1.790 0.410 -7.254 1.00 0.00 N ATOM 489 CA GLU A 29 1.142 -0.078 -8.466 1.00 0.00 C ATOM 490 C GLU A 29 -0.233 -0.660 -8.150 1.00 0.00 C ATOM 491 O GLU A 29 -1.210 -0.384 -8.846 1.00 0.00 O ATOM 492 CB GLU A 29 2.012 -1.137 -9.146 1.00 0.00 C ATOM 493 CG GLU A 29 1.594 -1.443 -10.574 1.00 0.00 C ATOM 494 CD GLU A 29 1.315 -0.190 -11.381 1.00 0.00 C ATOM 495 OE1 GLU A 29 2.171 0.719 -11.382 1.00 0.00 O ATOM 496 OE2 GLU A 29 0.241 -0.119 -12.014 1.00 0.00 O ATOM 0 H GLU A 29 2.743 0.072 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 29 1.014 0.766 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.048 -0.799 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.975 -2.056 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.380 -2.018 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.702 -2.069 -10.561 1.00 0.00 H new ATOM 503 N ARG A 30 -0.300 -1.467 -7.097 1.00 0.00 N ATOM 504 CA ARG A 30 -1.554 -2.090 -6.689 1.00 0.00 C ATOM 505 C ARG A 30 -2.646 -1.041 -6.503 1.00 0.00 C ATOM 506 O ARG A 30 -3.748 -1.174 -7.038 1.00 0.00 O ATOM 507 CB ARG A 30 -1.359 -2.876 -5.392 1.00 0.00 C ATOM 508 CG ARG A 30 -2.514 -3.809 -5.066 1.00 0.00 C ATOM 509 CD ARG A 30 -2.093 -4.897 -4.091 1.00 0.00 C ATOM 510 NE ARG A 30 -1.276 -5.923 -4.734 1.00 0.00 N ATOM 511 CZ ARG A 30 -1.781 -6.929 -5.439 1.00 0.00 C ATOM 512 NH1 ARG A 30 -3.093 -7.044 -5.591 1.00 0.00 N ATOM 513 NH2 ARG A 30 -0.973 -7.823 -5.994 1.00 0.00 N ATOM 0 H ARG A 30 0.500 -1.705 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.864 -2.776 -7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.441 -3.459 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.226 -2.175 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.337 -3.236 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.885 -4.265 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.533 -4.450 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.980 -5.359 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.262 -5.864 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.718 -6.359 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.478 -7.818 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.037 -7.738 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.362 -8.595 -6.535 1.00 0.00 H new ATOM 527 N LEU A 31 -2.334 0.001 -5.740 1.00 0.00 N ATOM 528 CA LEU A 31 -3.289 1.073 -5.482 1.00 0.00 C ATOM 529 C LEU A 31 -3.700 1.761 -6.780 1.00 0.00 C ATOM 530 O LEU A 31 -4.873 2.076 -6.981 1.00 0.00 O ATOM 531 CB LEU A 31 -2.688 2.097 -4.517 1.00 0.00 C ATOM 532 CG LEU A 31 -2.705 1.716 -3.037 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.784 2.626 -2.240 1.00 0.00 C ATOM 534 CD2 LEU A 31 -4.123 1.776 -2.487 1.00 0.00 C ATOM 0 H LEU A 31 -1.428 0.126 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.177 0.633 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.655 2.282 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.226 3.037 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.342 0.693 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.810 2.339 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.765 2.533 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.116 3.659 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.116 1.502 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.513 2.788 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.757 1.081 -3.038 1.00 0.00 H new ATOM 546 N GLN A 32 -2.728 1.988 -7.657 1.00 0.00 N ATOM 547 CA GLN A 32 -2.990 2.637 -8.936 1.00 0.00 C ATOM 548 C GLN A 32 -3.960 1.813 -9.776 1.00 0.00 C ATOM 549 O GLN A 32 -4.834 2.360 -10.448 1.00 0.00 O ATOM 550 CB GLN A 32 -1.683 2.845 -9.703 1.00 0.00 C ATOM 551 CG GLN A 32 -0.922 4.092 -9.283 1.00 0.00 C ATOM 552 CD GLN A 32 -1.506 5.359 -9.876 1.00 0.00 C ATOM 553 OE1 GLN A 32 -2.494 5.896 -9.374 1.00 0.00 O ATOM 554 NE2 GLN A 32 -0.897 5.845 -10.951 1.00 0.00 N ATOM 0 H GLN A 32 -1.752 1.732 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.445 3.607 -8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.044 1.974 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.903 2.906 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.928 4.168 -8.196 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.120 3.998 -9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.081 5.368 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.245 6.695 -11.394 1.00 0.00 H new ATOM 563 N SER A 33 -3.801 0.494 -9.732 1.00 0.00 N ATOM 564 CA SER A 33 -4.661 -0.406 -10.492 1.00 0.00 C ATOM 565 C SER A 33 -6.108 -0.302 -10.020 1.00 0.00 C ATOM 566 O SER A 33 -7.018 -0.073 -10.817 1.00 0.00 O ATOM 567 CB SER A 33 -4.171 -1.849 -10.357 1.00 0.00 C ATOM 568 OG SER A 33 -5.151 -2.765 -10.814 1.00 0.00 O ATOM 0 H SER A 33 -3.085 0.025 -9.178 1.00 0.00 H new ATOM 0 HA SER A 33 -4.617 -0.112 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.252 -1.979 -10.929 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.930 -2.059 -9.315 1.00 0.00 H new ATOM 0 HG SER A 33 -4.813 -3.680 -10.719 1.00 0.00 H new ATOM 574 N TYR A 34 -6.312 -0.472 -8.718 1.00 0.00 N ATOM 575 CA TYR A 34 -7.648 -0.401 -8.139 1.00 0.00 C ATOM 576 C TYR A 34 -8.335 0.909 -8.514 1.00 0.00 C ATOM 577 O TYR A 34 -9.399 0.911 -9.135 1.00 0.00 O ATOM 578 CB TYR A 34 -7.574 -0.533 -6.617 1.00 0.00 C ATOM 579 CG TYR A 34 -8.898 -0.299 -5.924 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.821 -1.327 -5.780 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.225 0.951 -5.413 1.00 0.00 C ATOM 582 CE1 TYR A 34 -11.031 -1.117 -5.148 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.432 1.170 -4.779 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.332 0.133 -4.649 1.00 0.00 C ATOM 585 OH TYR A 34 -12.536 0.347 -4.018 1.00 0.00 O ATOM 0 H TYR A 34 -5.570 -0.660 -8.044 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.235 -1.227 -8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.212 -1.530 -6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.842 0.178 -6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.588 -2.307 -6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.523 1.766 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.738 -1.927 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.670 2.148 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.590 1.281 -3.725 1.00 0.00 H new ATOM 595 N THR A 35 -7.719 2.023 -8.132 1.00 0.00 N ATOM 596 CA THR A 35 -8.269 3.340 -8.426 1.00 0.00 C ATOM 597 C THR A 35 -8.601 3.479 -9.908 1.00 0.00 C ATOM 598 O THR A 35 -9.618 4.068 -10.273 1.00 0.00 O ATOM 599 CB THR A 35 -7.292 4.461 -8.023 1.00 0.00 C ATOM 600 OG1 THR A 35 -7.049 4.414 -6.613 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.847 5.825 -8.403 1.00 0.00 C ATOM 0 H THR A 35 -6.838 2.039 -7.618 1.00 0.00 H new ATOM 0 HA THR A 35 -9.183 3.438 -7.841 1.00 0.00 H new ATOM 0 HB THR A 35 -6.355 4.307 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.860 4.681 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.140 6.600 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.003 5.867 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.796 5.987 -7.892 1.00 0.00 H new ATOM 609 N ARG A 36 -7.736 2.933 -10.756 1.00 0.00 N ATOM 610 CA ARG A 36 -7.937 2.997 -12.199 1.00 0.00 C ATOM 611 C ARG A 36 -9.163 2.188 -12.613 1.00 0.00 C ATOM 612 O ARG A 36 -9.976 2.644 -13.416 1.00 0.00 O ATOM 613 CB ARG A 36 -6.698 2.478 -12.931 1.00 0.00 C ATOM 614 CG ARG A 36 -6.577 2.986 -14.359 1.00 0.00 C ATOM 615 CD ARG A 36 -5.621 2.131 -15.175 1.00 0.00 C ATOM 616 NE ARG A 36 -5.719 2.413 -16.605 1.00 0.00 N ATOM 617 CZ ARG A 36 -5.213 3.502 -17.175 1.00 0.00 C ATOM 618 NH1 ARG A 36 -4.578 4.404 -16.441 1.00 0.00 N ATOM 619 NH2 ARG A 36 -5.343 3.688 -18.482 1.00 0.00 N ATOM 0 H ARG A 36 -6.889 2.441 -10.469 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.102 4.039 -12.473 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.808 2.770 -12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.723 1.388 -12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.560 2.986 -14.831 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.227 4.018 -14.351 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.599 2.309 -14.840 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.836 1.077 -14.998 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.202 1.738 -17.198 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.476 4.264 -15.436 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.191 5.239 -16.881 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.831 2.995 -19.050 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.955 4.524 -18.919 1.00 0.00 H new ATOM 633 N GLN A 37 -9.286 0.985 -12.060 1.00 0.00 N ATOM 634 CA GLN A 37 -10.411 0.113 -12.374 1.00 0.00 C ATOM 635 C GLN A 37 -11.713 0.683 -11.821 1.00 0.00 C ATOM 636 O GLN A 37 -12.606 1.069 -12.576 1.00 0.00 O ATOM 637 CB GLN A 37 -10.172 -1.287 -11.806 1.00 0.00 C ATOM 638 CG GLN A 37 -9.412 -2.205 -12.750 1.00 0.00 C ATOM 639 CD GLN A 37 -8.252 -1.508 -13.433 1.00 0.00 C ATOM 640 OE1 GLN A 37 -8.445 -0.715 -14.355 1.00 0.00 O ATOM 641 NE2 GLN A 37 -7.037 -1.800 -12.983 1.00 0.00 N ATOM 0 H GLN A 37 -8.621 0.593 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.496 0.048 -13.459 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.618 -1.201 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.133 -1.742 -11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.038 -3.064 -12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.096 -2.589 -13.506 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.923 -2.463 -12.216 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.218 -1.361 -13.404 1.00 0.00 H new ATOM 650 N THR A 38 -11.816 0.734 -10.496 1.00 0.00 N ATOM 651 CA THR A 38 -13.009 1.256 -9.841 1.00 0.00 C ATOM 652 C THR A 38 -13.252 2.712 -10.221 1.00 0.00 C ATOM 653 O THR A 38 -14.354 3.084 -10.621 1.00 0.00 O ATOM 654 CB THR A 38 -12.901 1.148 -8.308 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.752 1.868 -7.846 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.803 -0.306 -7.874 1.00 0.00 C ATOM 0 H THR A 38 -11.087 0.420 -9.856 1.00 0.00 H new ATOM 0 HA THR A 38 -13.848 0.650 -10.182 1.00 0.00 H new ATOM 0 HB THR A 38 -13.801 1.581 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.942 1.476 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.728 -0.357 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.692 -0.844 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.919 -0.760 -8.321 1.00 0.00 H new ATOM 664 N GLY A 39 -12.214 3.534 -10.093 1.00 0.00 N ATOM 665 CA GLY A 39 -12.336 4.941 -10.428 1.00 0.00 C ATOM 666 C GLY A 39 -12.449 5.821 -9.199 1.00 0.00 C ATOM 667 O GLY A 39 -12.925 6.954 -9.281 1.00 0.00 O ATOM 0 H GLY A 39 -11.291 3.250 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.469 5.249 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.214 5.087 -11.058 1.00 0.00 H new ATOM 671 N ILE A 40 -12.014 5.300 -8.057 1.00 0.00 N ATOM 672 CA ILE A 40 -12.070 6.046 -6.807 1.00 0.00 C ATOM 673 C ILE A 40 -10.673 6.273 -6.239 1.00 0.00 C ATOM 674 O ILE A 40 -9.911 5.327 -6.039 1.00 0.00 O ATOM 675 CB ILE A 40 -12.927 5.319 -5.754 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.375 5.205 -6.234 1.00 0.00 C ATOM 677 CG2 ILE A 40 -12.860 6.048 -4.421 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.205 4.233 -5.426 1.00 0.00 C ATOM 0 H ILE A 40 -11.619 4.364 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.528 7.008 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.530 4.313 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -14.841 6.189 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.379 4.893 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.471 5.522 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.827 6.081 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.235 7.064 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.220 4.204 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.763 3.239 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.232 4.555 -4.385 1.00 0.00 H new ATOM 690 N VAL A 41 -10.343 7.535 -5.981 1.00 0.00 N ATOM 691 CA VAL A 41 -9.038 7.887 -5.433 1.00 0.00 C ATOM 692 C VAL A 41 -9.045 7.821 -3.910 1.00 0.00 C ATOM 693 O VAL A 41 -9.919 8.394 -3.257 1.00 0.00 O ATOM 694 CB VAL A 41 -8.607 9.299 -5.873 1.00 0.00 C ATOM 695 CG1 VAL A 41 -7.255 9.655 -5.276 1.00 0.00 C ATOM 696 CG2 VAL A 41 -8.571 9.396 -7.391 1.00 0.00 C ATOM 0 H VAL A 41 -10.961 8.330 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.325 7.160 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.340 10.016 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.967 10.656 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.319 9.628 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.508 8.937 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.265 10.400 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.860 8.670 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.563 9.187 -7.793 1.00 0.00 H new ATOM 706 N LEU A 42 -8.067 7.120 -3.349 1.00 0.00 N ATOM 707 CA LEU A 42 -7.959 6.979 -1.901 1.00 0.00 C ATOM 708 C LEU A 42 -7.112 8.100 -1.307 1.00 0.00 C ATOM 709 O LEU A 42 -5.900 8.149 -1.510 1.00 0.00 O ATOM 710 CB LEU A 42 -7.351 5.621 -1.545 1.00 0.00 C ATOM 711 CG LEU A 42 -8.021 4.400 -2.176 1.00 0.00 C ATOM 712 CD1 LEU A 42 -7.284 3.127 -1.788 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.482 4.319 -1.761 1.00 0.00 C ATOM 0 H LEU A 42 -7.337 6.640 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.962 7.043 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.301 5.627 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.378 5.506 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.977 4.505 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.775 2.268 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.252 3.183 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.296 3.016 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.943 3.444 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.548 4.237 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.004 5.218 -2.090 1.00 0.00 H new ATOM 725 N ASN A 43 -7.760 8.997 -0.570 1.00 0.00 N ATOM 726 CA ASN A 43 -7.066 10.116 0.056 1.00 0.00 C ATOM 727 C ASN A 43 -6.026 9.621 1.057 1.00 0.00 C ATOM 728 O ASN A 43 -6.238 8.621 1.743 1.00 0.00 O ATOM 729 CB ASN A 43 -8.067 11.037 0.757 1.00 0.00 C ATOM 730 CG ASN A 43 -9.100 11.601 -0.199 1.00 0.00 C ATOM 731 OD1 ASN A 43 -8.932 11.544 -1.418 1.00 0.00 O ATOM 732 ND2 ASN A 43 -10.177 12.151 0.350 1.00 0.00 N ATOM 0 H ASN A 43 -8.764 8.970 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.553 10.676 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.572 10.484 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.530 11.857 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.906 12.548 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.275 12.177 1.365 1.00 0.00 H new ATOM 739 N ARG A 44 -4.904 10.328 1.136 1.00 0.00 N ATOM 740 CA ARG A 44 -3.832 9.960 2.052 1.00 0.00 C ATOM 741 C ARG A 44 -4.379 9.702 3.453 1.00 0.00 C ATOM 742 O ARG A 44 -5.313 10.359 3.912 1.00 0.00 O ATOM 743 CB ARG A 44 -2.773 11.064 2.102 1.00 0.00 C ATOM 744 CG ARG A 44 -1.668 10.895 1.072 1.00 0.00 C ATOM 745 CD ARG A 44 -0.716 12.080 1.077 1.00 0.00 C ATOM 746 NE ARG A 44 -1.404 13.335 0.785 1.00 0.00 N ATOM 747 CZ ARG A 44 -2.023 14.065 1.707 1.00 0.00 C ATOM 748 NH1 ARG A 44 -2.040 13.667 2.971 1.00 0.00 N ATOM 749 NH2 ARG A 44 -2.627 15.196 1.364 1.00 0.00 N ATOM 0 H ARG A 44 -4.714 11.159 0.576 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.373 9.042 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.258 12.028 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.330 11.086 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.113 9.980 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.107 10.784 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.230 12.151 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.070 11.917 0.339 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.410 13.669 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.577 12.798 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.516 14.229 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.616 15.505 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.102 15.756 2.072 1.00 0.00 H new ATOM 763 N PRO A 45 -3.784 8.722 4.149 1.00 0.00 N ATOM 764 CA PRO A 45 -4.195 8.354 5.507 1.00 0.00 C ATOM 765 C PRO A 45 -3.842 9.428 6.531 1.00 0.00 C ATOM 766 O PRO A 45 -4.646 9.754 7.404 1.00 0.00 O ATOM 767 CB PRO A 45 -3.404 7.073 5.783 1.00 0.00 C ATOM 768 CG PRO A 45 -2.210 7.168 4.898 1.00 0.00 C ATOM 769 CD PRO A 45 -2.665 7.897 3.664 1.00 0.00 C ATOM 0 HA PRO A 45 -5.275 8.230 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.115 7.004 6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.995 6.186 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.400 7.705 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.830 6.177 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.868 8.509 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.984 7.206 2.884 1.00 0.00 H new ATOM 777 N SER A 46 -2.636 9.974 6.416 1.00 0.00 N ATOM 778 CA SER A 46 -2.176 11.010 7.334 1.00 0.00 C ATOM 779 C SER A 46 -2.557 12.396 6.824 1.00 0.00 C ATOM 780 O SER A 46 -2.335 12.725 5.660 1.00 0.00 O ATOM 781 CB SER A 46 -0.659 10.921 7.517 1.00 0.00 C ATOM 782 OG SER A 46 0.017 11.155 6.294 1.00 0.00 O ATOM 0 H SER A 46 -1.960 9.717 5.697 1.00 0.00 H new ATOM 0 HA SER A 46 -2.662 10.850 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.336 11.650 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.393 9.936 7.900 1.00 0.00 H new ATOM 0 HG SER A 46 -0.582 11.619 5.672 1.00 0.00 H new ATOM 788 N GLY A 47 -3.135 13.206 7.707 1.00 0.00 N ATOM 789 CA GLY A 47 -3.539 14.548 7.329 1.00 0.00 C ATOM 790 C GLY A 47 -3.478 15.520 8.490 1.00 0.00 C ATOM 791 O GLY A 47 -3.705 15.157 9.645 1.00 0.00 O ATOM 0 H GLY A 47 -3.330 12.957 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.895 14.905 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.555 14.521 6.935 1.00 0.00 H new ATOM 795 N PRO A 48 -3.163 16.789 8.189 1.00 0.00 N ATOM 796 CA PRO A 48 -3.065 17.843 9.203 1.00 0.00 C ATOM 797 C PRO A 48 -4.423 18.215 9.786 1.00 0.00 C ATOM 798 O PRO A 48 -5.432 18.218 9.081 1.00 0.00 O ATOM 799 CB PRO A 48 -2.472 19.024 8.431 1.00 0.00 C ATOM 800 CG PRO A 48 -2.865 18.785 7.014 1.00 0.00 C ATOM 801 CD PRO A 48 -2.880 17.293 6.834 1.00 0.00 C ATOM 0 HA PRO A 48 -2.465 17.531 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.865 19.973 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.388 19.064 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.845 19.213 6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.159 19.254 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.644 16.982 6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.925 16.924 6.459 1.00 0.00 H new ATOM 809 N SER A 49 -4.442 18.529 11.078 1.00 0.00 N ATOM 810 CA SER A 49 -5.678 18.900 11.756 1.00 0.00 C ATOM 811 C SER A 49 -5.966 20.389 11.586 1.00 0.00 C ATOM 812 O SER A 49 -7.085 20.783 11.257 1.00 0.00 O ATOM 813 CB SER A 49 -5.592 18.553 13.244 1.00 0.00 C ATOM 814 OG SER A 49 -6.803 18.865 13.911 1.00 0.00 O ATOM 0 H SER A 49 -3.615 18.534 11.676 1.00 0.00 H new ATOM 0 HA SER A 49 -6.494 18.336 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.372 17.492 13.361 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.769 19.102 13.702 1.00 0.00 H new ATOM 0 HG SER A 49 -6.723 18.633 14.860 1.00 0.00 H new ATOM 820 N SER A 50 -4.947 21.212 11.813 1.00 0.00 N ATOM 821 CA SER A 50 -5.089 22.658 11.689 1.00 0.00 C ATOM 822 C SER A 50 -6.449 23.116 12.208 1.00 0.00 C ATOM 823 O SER A 50 -7.109 23.955 11.597 1.00 0.00 O ATOM 824 CB SER A 50 -4.917 23.085 10.230 1.00 0.00 C ATOM 825 OG SER A 50 -6.043 22.714 9.454 1.00 0.00 O ATOM 0 H SER A 50 -4.014 20.902 12.084 1.00 0.00 H new ATOM 0 HA SER A 50 -4.312 23.128 12.292 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.775 24.165 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.019 22.625 9.817 1.00 0.00 H new ATOM 0 HG SER A 50 -6.810 23.270 9.705 1.00 0.00 H new ATOM 831 N GLY A 51 -6.862 22.557 13.342 1.00 0.00 N ATOM 832 CA GLY A 51 -8.140 22.919 13.925 1.00 0.00 C ATOM 833 C GLY A 51 -9.026 21.715 14.173 1.00 0.00 C ATOM 834 O GLY A 51 -9.472 21.485 15.298 1.00 0.00 O ATOM 0 H GLY A 51 -6.334 21.860 13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.971 23.442 14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.654 23.614 13.262 1.00 0.00 H new TER 838 GLY A 51