USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 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 -153:sc= 0.0486 USER MOD Set 1.2: A 35 THR OG1 : rot 79:sc= 0.0527 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A -1 SER OG : rot 65:sc= 0.0591 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -56:sc= 0.0259 USER MOD Single : A -5 SER OG : rot 32:sc= 0.384 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.277 K(o=-0.28,f=-3.7!) USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= 0.0323 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0356 K(o=-0.036,f=-0.91) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.041) USER MOD Single : A 38 THR OG1 : rot -70:sc= 1.17 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.116 F(o=-1.1,f=-0.12) 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 -6.830 18.362 -4.961 1.00 0.00 N ATOM 2 CA GLY A -6 -6.813 19.801 -5.148 1.00 0.00 C ATOM 3 C GLY A -6 -5.974 20.221 -6.338 1.00 0.00 C ATOM 4 O GLY A -6 -6.447 20.943 -7.216 1.00 0.00 O ATOM 0 H1 GLY A -6 -7.417 18.126 -4.135 1.00 0.00 H new ATOM 0 H2 GLY A -6 -7.225 17.906 -5.808 1.00 0.00 H new ATOM 0 H3 GLY A -6 -5.860 18.021 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -7.834 20.159 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -6.425 20.277 -4.247 1.00 0.00 H new ATOM 8 N SER A -5 -4.724 19.770 -6.368 1.00 0.00 N ATOM 9 CA SER A -5 -3.815 20.108 -7.457 1.00 0.00 C ATOM 10 C SER A -5 -4.144 19.300 -8.710 1.00 0.00 C ATOM 11 O SER A -5 -4.158 18.070 -8.682 1.00 0.00 O ATOM 12 CB SER A -5 -2.366 19.854 -7.038 1.00 0.00 C ATOM 13 OG SER A -5 -2.156 18.486 -6.733 1.00 0.00 O ATOM 0 H SER A -5 -4.318 19.170 -5.651 1.00 0.00 H new ATOM 0 HA SER A -5 -3.939 21.167 -7.685 1.00 0.00 H new ATOM 0 HB2 SER A -5 -1.693 20.158 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A -5 -2.123 20.465 -6.169 1.00 0.00 H new ATOM 0 HG SER A -5 -2.741 17.933 -7.292 1.00 0.00 H new ATOM 19 N SER A -4 -4.407 20.003 -9.807 1.00 0.00 N ATOM 20 CA SER A -4 -4.739 19.353 -11.069 1.00 0.00 C ATOM 21 C SER A -4 -3.474 18.987 -11.841 1.00 0.00 C ATOM 22 O SER A -4 -3.341 19.305 -13.022 1.00 0.00 O ATOM 23 CB SER A -4 -5.624 20.265 -11.920 1.00 0.00 C ATOM 24 OG SER A -4 -6.268 19.536 -12.950 1.00 0.00 O ATOM 0 H SER A -4 -4.397 21.022 -9.847 1.00 0.00 H new ATOM 0 HA SER A -4 -5.285 18.437 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A -4 -6.371 20.744 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A -4 -5.019 21.060 -12.357 1.00 0.00 H new ATOM 0 HG SER A -4 -5.596 19.073 -13.492 1.00 0.00 H new ATOM 30 N GLY A -3 -2.547 18.317 -11.164 1.00 0.00 N ATOM 31 CA GLY A -3 -1.305 17.919 -11.801 1.00 0.00 C ATOM 32 C GLY A -3 -0.986 16.453 -11.584 1.00 0.00 C ATOM 33 O GLY A -3 -1.889 15.631 -11.431 1.00 0.00 O ATOM 0 H GLY A -3 -2.634 18.043 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -1.368 18.119 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -0.489 18.527 -11.411 1.00 0.00 H new ATOM 37 N SER A -2 0.302 16.125 -11.572 1.00 0.00 N ATOM 38 CA SER A -2 0.738 14.747 -11.378 1.00 0.00 C ATOM 39 C SER A -2 0.300 14.226 -10.013 1.00 0.00 C ATOM 40 O SER A -2 0.661 14.785 -8.977 1.00 0.00 O ATOM 41 CB SER A -2 2.259 14.648 -11.510 1.00 0.00 C ATOM 42 OG SER A -2 2.697 15.167 -12.754 1.00 0.00 O ATOM 0 H SER A -2 1.062 16.795 -11.694 1.00 0.00 H new ATOM 0 HA SER A -2 0.273 14.133 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A -2 2.734 15.196 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A -2 2.568 13.607 -11.417 1.00 0.00 H new ATOM 0 HG SER A -2 3.672 15.094 -12.814 1.00 0.00 H new ATOM 48 N SER A -1 -0.482 13.151 -10.020 1.00 0.00 N ATOM 49 CA SER A -1 -0.973 12.555 -8.783 1.00 0.00 C ATOM 50 C SER A -1 -0.628 11.070 -8.720 1.00 0.00 C ATOM 51 O SER A -1 -1.182 10.261 -9.462 1.00 0.00 O ATOM 52 CB SER A -1 -2.487 12.743 -8.668 1.00 0.00 C ATOM 53 OG SER A -1 -2.838 14.114 -8.743 1.00 0.00 O ATOM 0 H SER A -1 -0.789 12.675 -10.868 1.00 0.00 H new ATOM 0 HA SER A -1 -0.486 13.059 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A -1 -2.987 12.192 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A -1 -2.838 12.326 -7.724 1.00 0.00 H new ATOM 0 HG SER A -1 -2.610 14.462 -9.630 1.00 0.00 H new ATOM 59 N GLY A 0 0.294 10.721 -7.828 1.00 0.00 N ATOM 60 CA GLY A 0 0.699 9.335 -7.684 1.00 0.00 C ATOM 61 C GLY A 0 0.562 8.835 -6.259 1.00 0.00 C ATOM 62 O GLY A 0 -0.126 9.449 -5.443 1.00 0.00 O ATOM 0 H GLY A 0 0.767 11.373 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.094 8.713 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.735 9.227 -8.005 1.00 0.00 H new ATOM 66 N TYR A 1 1.216 7.719 -5.959 1.00 0.00 N ATOM 67 CA TYR A 1 1.161 7.136 -4.624 1.00 0.00 C ATOM 68 C TYR A 1 2.559 6.784 -4.125 1.00 0.00 C ATOM 69 O TYR A 1 2.766 5.740 -3.508 1.00 0.00 O ATOM 70 CB TYR A 1 0.279 5.886 -4.628 1.00 0.00 C ATOM 71 CG TYR A 1 -1.198 6.187 -4.742 1.00 0.00 C ATOM 72 CD1 TYR A 1 -1.877 6.832 -3.715 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.915 5.828 -5.877 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.227 7.108 -3.815 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.265 6.101 -5.986 1.00 0.00 C ATOM 76 CZ TYR A 1 -3.916 6.741 -4.952 1.00 0.00 C ATOM 77 OH TYR A 1 -5.261 7.016 -5.056 1.00 0.00 O ATOM 0 H TYR A 1 1.791 7.200 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 1 0.730 7.876 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.576 5.245 -5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.457 5.323 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.340 7.122 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.408 5.327 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.740 7.608 -3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.807 5.815 -6.875 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.683 6.364 -5.654 1.00 0.00 H new ATOM 87 N GLY A 2 3.516 7.666 -4.396 1.00 0.00 N ATOM 88 CA GLY A 2 4.883 7.432 -3.968 1.00 0.00 C ATOM 89 C GLY A 2 5.170 8.020 -2.600 1.00 0.00 C ATOM 90 O GLY A 2 5.505 7.295 -1.664 1.00 0.00 O ATOM 0 H GLY A 2 3.369 8.538 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.075 6.359 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.568 7.864 -4.697 1.00 0.00 H new ATOM 94 N ALA A 3 5.039 9.337 -2.485 1.00 0.00 N ATOM 95 CA ALA A 3 5.287 10.022 -1.221 1.00 0.00 C ATOM 96 C ALA A 3 4.861 9.160 -0.038 1.00 0.00 C ATOM 97 O ALA A 3 5.556 9.094 0.976 1.00 0.00 O ATOM 98 CB ALA A 3 4.559 11.357 -1.193 1.00 0.00 C ATOM 0 H ALA A 3 4.763 9.951 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 3 6.359 10.203 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.753 11.857 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.914 11.982 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.488 11.190 -1.303 1.00 0.00 H new ATOM 104 N TRP A 4 3.716 8.502 -0.173 1.00 0.00 N ATOM 105 CA TRP A 4 3.197 7.644 0.887 1.00 0.00 C ATOM 106 C TRP A 4 4.303 6.773 1.472 1.00 0.00 C ATOM 107 O TRP A 4 5.317 6.521 0.821 1.00 0.00 O ATOM 108 CB TRP A 4 2.067 6.764 0.351 1.00 0.00 C ATOM 109 CG TRP A 4 0.854 7.541 -0.064 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.801 8.868 -0.383 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.479 7.039 -0.203 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.485 9.221 -0.713 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.289 8.117 -0.611 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.067 5.784 -0.025 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.655 7.976 -0.841 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.423 5.646 -0.254 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.205 6.736 -0.659 1.00 0.00 C ATOM 0 H TRP A 4 3.129 8.546 -1.006 1.00 0.00 H new ATOM 0 HA TRP A 4 2.806 8.283 1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.434 6.194 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.783 6.043 1.118 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.646 9.541 -0.377 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -0.791 10.154 -0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.473 4.937 0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.259 8.815 -1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.888 4.681 -0.118 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.262 6.595 -0.831 1.00 0.00 H new ATOM 128 N ALA A 5 4.101 6.315 2.703 1.00 0.00 N ATOM 129 CA ALA A 5 5.081 5.470 3.374 1.00 0.00 C ATOM 130 C ALA A 5 4.615 4.019 3.419 1.00 0.00 C ATOM 131 O ALA A 5 3.416 3.741 3.384 1.00 0.00 O ATOM 132 CB ALA A 5 5.346 5.985 4.781 1.00 0.00 C ATOM 0 H ALA A 5 3.267 6.515 3.256 1.00 0.00 H new ATOM 0 HA ALA A 5 6.009 5.509 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.080 5.345 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.730 7.004 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.418 5.976 5.353 1.00 0.00 H new ATOM 138 N ALA A 6 5.569 3.098 3.497 1.00 0.00 N ATOM 139 CA ALA A 6 5.256 1.675 3.548 1.00 0.00 C ATOM 140 C ALA A 6 3.997 1.419 4.369 1.00 0.00 C ATOM 141 O ALA A 6 3.109 0.679 3.945 1.00 0.00 O ATOM 142 CB ALA A 6 6.430 0.896 4.122 1.00 0.00 C ATOM 0 H ALA A 6 6.566 3.312 3.526 1.00 0.00 H new ATOM 0 HA ALA A 6 5.070 1.333 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.182 -0.165 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.308 1.045 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.643 1.249 5.131 1.00 0.00 H new ATOM 148 N GLN A 7 3.927 2.036 5.544 1.00 0.00 N ATOM 149 CA GLN A 7 2.776 1.873 6.424 1.00 0.00 C ATOM 150 C GLN A 7 1.495 2.335 5.737 1.00 0.00 C ATOM 151 O GLN A 7 0.616 1.529 5.436 1.00 0.00 O ATOM 152 CB GLN A 7 2.984 2.657 7.721 1.00 0.00 C ATOM 153 CG GLN A 7 3.935 1.979 8.696 1.00 0.00 C ATOM 154 CD GLN A 7 3.914 2.618 10.070 1.00 0.00 C ATOM 155 OE1 GLN A 7 3.604 3.801 10.213 1.00 0.00 O ATOM 156 NE2 GLN A 7 4.245 1.836 11.092 1.00 0.00 N ATOM 0 H GLN A 7 4.653 2.653 5.908 1.00 0.00 H new ATOM 0 HA GLN A 7 2.678 0.813 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.370 3.647 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.019 2.801 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.668 0.926 8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.948 2.019 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.495 0.861 10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.249 2.211 12.041 1.00 0.00 H new ATOM 165 N GLU A 8 1.398 3.638 5.493 1.00 0.00 N ATOM 166 CA GLU A 8 0.223 4.207 4.842 1.00 0.00 C ATOM 167 C GLU A 8 -0.290 3.283 3.742 1.00 0.00 C ATOM 168 O GLU A 8 -1.451 2.871 3.753 1.00 0.00 O ATOM 169 CB GLU A 8 0.553 5.581 4.256 1.00 0.00 C ATOM 170 CG GLU A 8 0.898 6.624 5.306 1.00 0.00 C ATOM 171 CD GLU A 8 -0.327 7.337 5.846 1.00 0.00 C ATOM 172 OE1 GLU A 8 -0.934 6.827 6.810 1.00 0.00 O ATOM 173 OE2 GLU A 8 -0.679 8.405 5.302 1.00 0.00 O ATOM 0 H GLU A 8 2.118 4.319 5.736 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.559 4.318 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.391 5.481 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.299 5.932 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.427 6.144 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.579 7.357 4.874 1.00 0.00 H new ATOM 180 N LEU A 9 0.582 2.961 2.793 1.00 0.00 N ATOM 181 CA LEU A 9 0.218 2.085 1.685 1.00 0.00 C ATOM 182 C LEU A 9 -0.382 0.779 2.196 1.00 0.00 C ATOM 183 O LEU A 9 -1.500 0.415 1.832 1.00 0.00 O ATOM 184 CB LEU A 9 1.443 1.791 0.817 1.00 0.00 C ATOM 185 CG LEU A 9 2.110 3.003 0.166 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.514 2.652 -0.301 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.271 3.513 -0.997 1.00 0.00 C ATOM 0 H LEU A 9 1.546 3.293 2.769 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.533 2.597 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.184 1.280 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.148 1.097 0.030 1.00 0.00 H new ATOM 0 HG LEU A 9 2.184 3.796 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.973 3.526 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.113 2.335 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.463 1.843 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.761 4.376 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.165 2.725 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.285 3.804 -0.634 1.00 0.00 H new ATOM 199 N GLN A 10 0.367 0.082 3.043 1.00 0.00 N ATOM 200 CA GLN A 10 -0.092 -1.183 3.606 1.00 0.00 C ATOM 201 C GLN A 10 -1.477 -1.032 4.226 1.00 0.00 C ATOM 202 O GLN A 10 -2.425 -1.706 3.824 1.00 0.00 O ATOM 203 CB GLN A 10 0.898 -1.687 4.657 1.00 0.00 C ATOM 204 CG GLN A 10 2.195 -2.218 4.066 1.00 0.00 C ATOM 205 CD GLN A 10 3.327 -2.245 5.074 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.430 -1.368 5.932 1.00 0.00 O ATOM 207 NE2 GLN A 10 4.185 -3.253 4.974 1.00 0.00 N ATOM 0 H GLN A 10 1.294 0.371 3.355 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.153 -1.911 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.128 -0.875 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.425 -2.476 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.030 -3.225 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.484 -1.598 3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.061 -3.958 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.968 -3.323 5.624 1.00 0.00 H new ATOM 216 N ALA A 11 -1.586 -0.142 5.208 1.00 0.00 N ATOM 217 CA ALA A 11 -2.855 0.098 5.883 1.00 0.00 C ATOM 218 C ALA A 11 -4.012 0.109 4.889 1.00 0.00 C ATOM 219 O ALA A 11 -4.946 -0.686 4.999 1.00 0.00 O ATOM 220 CB ALA A 11 -2.804 1.411 6.650 1.00 0.00 C ATOM 0 H ALA A 11 -0.811 0.424 5.553 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.023 -0.716 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.758 1.578 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.008 1.367 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.609 2.230 5.957 1.00 0.00 H new ATOM 226 N LYS A 12 -3.945 1.015 3.919 1.00 0.00 N ATOM 227 CA LYS A 12 -4.986 1.129 2.905 1.00 0.00 C ATOM 228 C LYS A 12 -5.287 -0.229 2.279 1.00 0.00 C ATOM 229 O LYS A 12 -6.411 -0.725 2.358 1.00 0.00 O ATOM 230 CB LYS A 12 -4.562 2.121 1.819 1.00 0.00 C ATOM 231 CG LYS A 12 -4.260 3.512 2.350 1.00 0.00 C ATOM 232 CD LYS A 12 -5.529 4.236 2.768 1.00 0.00 C ATOM 233 CE LYS A 12 -6.132 5.017 1.611 1.00 0.00 C ATOM 234 NZ LYS A 12 -7.327 5.799 2.033 1.00 0.00 N ATOM 0 H LYS A 12 -3.180 1.681 3.814 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.892 1.495 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.678 1.735 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.353 2.190 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.584 3.439 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.745 4.091 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.256 3.513 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.307 4.916 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.382 5.693 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.412 4.328 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.137 5.548 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.553 5.580 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.127 6.815 1.940 1.00 0.00 H new ATOM 248 N LEU A 13 -4.275 -0.826 1.658 1.00 0.00 N ATOM 249 CA LEU A 13 -4.432 -2.128 1.019 1.00 0.00 C ATOM 250 C LEU A 13 -5.218 -3.082 1.913 1.00 0.00 C ATOM 251 O LEU A 13 -6.337 -3.475 1.584 1.00 0.00 O ATOM 252 CB LEU A 13 -3.062 -2.727 0.696 1.00 0.00 C ATOM 253 CG LEU A 13 -2.216 -1.959 -0.320 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.963 -2.745 -0.674 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.029 -1.656 -1.570 1.00 0.00 C ATOM 0 H LEU A 13 -3.338 -0.430 1.584 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.988 -1.986 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.495 -2.808 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.210 -3.741 0.323 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.912 -1.014 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.373 -2.183 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.371 -2.910 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.246 -3.706 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.411 -1.109 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.363 -2.590 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.896 -1.052 -1.303 1.00 0.00 H new ATOM 267 N ALA A 14 -4.626 -3.449 3.045 1.00 0.00 N ATOM 268 CA ALA A 14 -5.273 -4.352 3.987 1.00 0.00 C ATOM 269 C ALA A 14 -6.698 -3.901 4.292 1.00 0.00 C ATOM 270 O ALA A 14 -7.592 -4.724 4.484 1.00 0.00 O ATOM 271 CB ALA A 14 -4.461 -4.446 5.271 1.00 0.00 C ATOM 0 H ALA A 14 -3.699 -3.134 3.331 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.323 -5.339 3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.956 -5.124 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.464 -4.823 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.381 -3.458 5.724 1.00 0.00 H new ATOM 277 N GLU A 15 -6.900 -2.587 4.335 1.00 0.00 N ATOM 278 CA GLU A 15 -8.217 -2.027 4.618 1.00 0.00 C ATOM 279 C GLU A 15 -9.250 -2.535 3.617 1.00 0.00 C ATOM 280 O GLU A 15 -10.338 -2.970 3.998 1.00 0.00 O ATOM 281 CB GLU A 15 -8.163 -0.499 4.583 1.00 0.00 C ATOM 282 CG GLU A 15 -9.201 0.168 5.471 1.00 0.00 C ATOM 283 CD GLU A 15 -9.230 -0.413 6.871 1.00 0.00 C ATOM 284 OE1 GLU A 15 -8.144 -0.698 7.418 1.00 0.00 O ATOM 285 OE2 GLU A 15 -10.339 -0.582 7.420 1.00 0.00 O ATOM 0 H GLU A 15 -6.170 -1.892 4.178 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.515 -2.350 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.170 -0.172 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.305 -0.162 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.992 1.236 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.186 0.060 5.016 1.00 0.00 H new ATOM 292 N ILE A 16 -8.904 -2.475 2.336 1.00 0.00 N ATOM 293 CA ILE A 16 -9.801 -2.928 1.280 1.00 0.00 C ATOM 294 C ILE A 16 -9.720 -4.440 1.102 1.00 0.00 C ATOM 295 O ILE A 16 -10.287 -4.996 0.162 1.00 0.00 O ATOM 296 CB ILE A 16 -9.479 -2.246 -0.063 1.00 0.00 C ATOM 297 CG1 ILE A 16 -8.045 -2.565 -0.491 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.684 -0.743 0.043 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.728 -2.139 -1.907 1.00 0.00 C ATOM 0 H ILE A 16 -8.009 -2.117 2.004 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.811 -2.654 1.584 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.159 -2.633 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.353 -2.072 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.876 -3.638 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.452 -0.276 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.721 -0.535 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.026 -0.339 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.695 -2.396 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.396 -2.651 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.864 -1.062 -2.002 1.00 0.00 H new ATOM 311 N GLY A 17 -9.013 -5.101 2.014 1.00 0.00 N ATOM 312 CA GLY A 17 -8.873 -6.544 1.941 1.00 0.00 C ATOM 313 C GLY A 17 -7.816 -6.974 0.942 1.00 0.00 C ATOM 314 O GLY A 17 -7.850 -8.095 0.437 1.00 0.00 O ATOM 0 H GLY A 17 -8.535 -4.663 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.616 -6.931 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.831 -6.985 1.665 1.00 0.00 H new ATOM 318 N ALA A 18 -6.876 -6.079 0.656 1.00 0.00 N ATOM 319 CA ALA A 18 -5.805 -6.373 -0.288 1.00 0.00 C ATOM 320 C ALA A 18 -4.561 -6.880 0.433 1.00 0.00 C ATOM 321 O ALA A 18 -4.234 -6.445 1.538 1.00 0.00 O ATOM 322 CB ALA A 18 -5.474 -5.136 -1.111 1.00 0.00 C ATOM 0 H ALA A 18 -6.835 -5.145 1.064 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.150 -7.161 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.673 -5.369 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.359 -4.819 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.153 -4.333 -0.448 1.00 0.00 H new ATOM 328 N PRO A 19 -3.849 -7.821 -0.204 1.00 0.00 N ATOM 329 CA PRO A 19 -2.629 -8.408 0.359 1.00 0.00 C ATOM 330 C PRO A 19 -1.471 -7.416 0.393 1.00 0.00 C ATOM 331 O PRO A 19 -1.095 -6.852 -0.635 1.00 0.00 O ATOM 332 CB PRO A 19 -2.317 -9.562 -0.597 1.00 0.00 C ATOM 333 CG PRO A 19 -2.948 -9.167 -1.887 1.00 0.00 C ATOM 334 CD PRO A 19 -4.180 -8.385 -1.524 1.00 0.00 C ATOM 0 HA PRO A 19 -2.767 -8.720 1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.242 -9.703 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.726 -10.503 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.266 -8.564 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.204 -10.044 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.389 -7.603 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.062 -9.023 -1.479 1.00 0.00 H new ATOM 342 N ILE A 20 -0.910 -7.209 1.579 1.00 0.00 N ATOM 343 CA ILE A 20 0.206 -6.286 1.745 1.00 0.00 C ATOM 344 C ILE A 20 1.535 -6.972 1.445 1.00 0.00 C ATOM 345 O ILE A 20 2.528 -6.750 2.137 1.00 0.00 O ATOM 346 CB ILE A 20 0.251 -5.707 3.172 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.408 -6.832 4.197 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.006 -4.898 3.454 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.825 -6.346 5.567 1.00 0.00 C ATOM 0 H ILE A 20 -1.210 -7.668 2.439 1.00 0.00 H new ATOM 0 HA ILE A 20 0.051 -5.472 1.037 1.00 0.00 H new ATOM 0 HB ILE A 20 1.112 -5.044 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.537 -7.369 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.148 -7.545 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.960 -4.495 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.079 -4.078 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.881 -5.541 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.917 -7.197 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.785 -5.834 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.074 -5.656 5.952 1.00 0.00 H new ATOM 361 N GLN A 21 1.545 -7.803 0.408 1.00 0.00 N ATOM 362 CA GLN A 21 2.752 -8.520 0.015 1.00 0.00 C ATOM 363 C GLN A 21 3.423 -7.844 -1.176 1.00 0.00 C ATOM 364 O GLN A 21 2.752 -7.346 -2.079 1.00 0.00 O ATOM 365 CB GLN A 21 2.420 -9.973 -0.328 1.00 0.00 C ATOM 366 CG GLN A 21 3.604 -10.916 -0.192 1.00 0.00 C ATOM 367 CD GLN A 21 3.514 -12.104 -1.130 1.00 0.00 C ATOM 368 OE1 GLN A 21 2.443 -12.422 -1.646 1.00 0.00 O ATOM 369 NE2 GLN A 21 4.643 -12.765 -1.357 1.00 0.00 N ATOM 0 H GLN A 21 0.731 -7.996 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 21 3.444 -8.503 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.616 -10.317 0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.045 -10.020 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.525 -10.368 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.663 -11.273 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.508 -12.466 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.645 -13.572 -1.981 1.00 0.00 H new ATOM 378 N GLY A 22 4.753 -7.831 -1.172 1.00 0.00 N ATOM 379 CA GLY A 22 5.492 -7.214 -2.257 1.00 0.00 C ATOM 380 C GLY A 22 6.218 -5.956 -1.823 1.00 0.00 C ATOM 381 O GLY A 22 5.900 -5.375 -0.786 1.00 0.00 O ATOM 0 H GLY A 22 5.331 -8.237 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.214 -7.928 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.806 -6.972 -3.068 1.00 0.00 H new ATOM 385 N ASN A 23 7.196 -5.534 -2.617 1.00 0.00 N ATOM 386 CA ASN A 23 7.970 -4.338 -2.308 1.00 0.00 C ATOM 387 C ASN A 23 7.159 -3.077 -2.591 1.00 0.00 C ATOM 388 O ASN A 23 6.149 -3.121 -3.294 1.00 0.00 O ATOM 389 CB ASN A 23 9.265 -4.318 -3.122 1.00 0.00 C ATOM 390 CG ASN A 23 10.212 -5.436 -2.729 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.963 -5.317 -1.760 1.00 0.00 O ATOM 392 ND2 ASN A 23 10.180 -6.530 -3.481 1.00 0.00 N ATOM 0 H ASN A 23 7.471 -6.003 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 23 8.217 -4.360 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.026 -4.404 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.763 -3.358 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.794 -7.315 -3.265 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.542 -6.585 -4.275 1.00 0.00 H new ATOM 399 N ARG A 24 7.609 -1.954 -2.041 1.00 0.00 N ATOM 400 CA ARG A 24 6.926 -0.681 -2.234 1.00 0.00 C ATOM 401 C ARG A 24 6.388 -0.563 -3.658 1.00 0.00 C ATOM 402 O ARG A 24 5.246 -0.155 -3.867 1.00 0.00 O ATOM 403 CB ARG A 24 7.875 0.482 -1.938 1.00 0.00 C ATOM 404 CG ARG A 24 7.287 1.846 -2.263 1.00 0.00 C ATOM 405 CD ARG A 24 8.317 2.951 -2.090 1.00 0.00 C ATOM 406 NE ARG A 24 8.536 3.280 -0.684 1.00 0.00 N ATOM 407 CZ ARG A 24 9.375 2.617 0.103 1.00 0.00 C ATOM 408 NH1 ARG A 24 10.070 1.594 -0.375 1.00 0.00 N ATOM 409 NH2 ARG A 24 9.520 2.976 1.372 1.00 0.00 N ATOM 0 H ARG A 24 8.444 -1.900 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 24 6.085 -0.640 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.150 0.456 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.793 0.346 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.917 1.849 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.432 2.039 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.260 2.641 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.986 3.842 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 24 8.016 4.062 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.961 1.314 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.714 1.087 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.987 3.762 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.165 2.466 1.976 1.00 0.00 H new ATOM 423 N GLU A 25 7.220 -0.922 -4.630 1.00 0.00 N ATOM 424 CA GLU A 25 6.828 -0.855 -6.033 1.00 0.00 C ATOM 425 C GLU A 25 5.507 -1.583 -6.265 1.00 0.00 C ATOM 426 O GLU A 25 4.548 -1.004 -6.774 1.00 0.00 O ATOM 427 CB GLU A 25 7.918 -1.459 -6.920 1.00 0.00 C ATOM 428 CG GLU A 25 9.164 -0.595 -7.027 1.00 0.00 C ATOM 429 CD GLU A 25 9.994 -0.918 -8.254 1.00 0.00 C ATOM 430 OE1 GLU A 25 10.829 -1.843 -8.181 1.00 0.00 O ATOM 431 OE2 GLU A 25 9.808 -0.243 -9.289 1.00 0.00 O ATOM 0 H GLU A 25 8.169 -1.262 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 25 6.696 0.194 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.196 -2.436 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.513 -1.623 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.872 0.455 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.774 -0.731 -6.134 1.00 0.00 H new ATOM 438 N GLU A 26 5.467 -2.857 -5.887 1.00 0.00 N ATOM 439 CA GLU A 26 4.264 -3.665 -6.054 1.00 0.00 C ATOM 440 C GLU A 26 3.053 -2.973 -5.436 1.00 0.00 C ATOM 441 O GLU A 26 2.023 -2.798 -6.089 1.00 0.00 O ATOM 442 CB GLU A 26 4.457 -5.044 -5.420 1.00 0.00 C ATOM 443 CG GLU A 26 5.391 -5.950 -6.204 1.00 0.00 C ATOM 444 CD GLU A 26 5.598 -7.295 -5.535 1.00 0.00 C ATOM 445 OE1 GLU A 26 4.725 -8.175 -5.691 1.00 0.00 O ATOM 446 OE2 GLU A 26 6.631 -7.468 -4.854 1.00 0.00 O ATOM 0 H GLU A 26 6.252 -3.351 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 26 4.084 -3.786 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.849 -4.919 -4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.486 -5.531 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.986 -6.105 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.355 -5.456 -6.323 1.00 0.00 H new ATOM 453 N LEU A 27 3.183 -2.583 -4.173 1.00 0.00 N ATOM 454 CA LEU A 27 2.100 -1.910 -3.464 1.00 0.00 C ATOM 455 C LEU A 27 1.606 -0.699 -4.249 1.00 0.00 C ATOM 456 O LEU A 27 0.424 -0.601 -4.581 1.00 0.00 O ATOM 457 CB LEU A 27 2.566 -1.476 -2.074 1.00 0.00 C ATOM 458 CG LEU A 27 3.171 -2.572 -1.196 1.00 0.00 C ATOM 459 CD1 LEU A 27 3.816 -1.969 0.043 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.108 -3.588 -0.804 1.00 0.00 C ATOM 0 H LEU A 27 4.028 -2.721 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 27 1.274 -2.614 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.305 -0.683 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.716 -1.044 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 27 3.943 -3.085 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.241 -2.764 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.606 -1.280 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.064 -1.430 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.556 -4.361 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.314 -3.088 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.692 -4.044 -1.702 1.00 0.00 H new ATOM 472 N VAL A 28 2.518 0.222 -4.544 1.00 0.00 N ATOM 473 CA VAL A 28 2.176 1.425 -5.292 1.00 0.00 C ATOM 474 C VAL A 28 1.341 1.088 -6.522 1.00 0.00 C ATOM 475 O VAL A 28 0.246 1.620 -6.705 1.00 0.00 O ATOM 476 CB VAL A 28 3.439 2.188 -5.736 1.00 0.00 C ATOM 477 CG1 VAL A 28 3.061 3.426 -6.536 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.287 2.561 -4.529 1.00 0.00 C ATOM 0 H VAL A 28 3.500 0.157 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 28 1.594 2.059 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 28 4.030 1.536 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.965 3.952 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.498 3.129 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.449 4.084 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.175 3.099 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.707 3.196 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.587 1.656 -4.002 1.00 0.00 H new ATOM 488 N GLU A 29 1.865 0.201 -7.362 1.00 0.00 N ATOM 489 CA GLU A 29 1.166 -0.206 -8.576 1.00 0.00 C ATOM 490 C GLU A 29 -0.254 -0.665 -8.258 1.00 0.00 C ATOM 491 O GLU A 29 -1.217 -0.209 -8.874 1.00 0.00 O ATOM 492 CB GLU A 29 1.932 -1.330 -9.278 1.00 0.00 C ATOM 493 CG GLU A 29 1.351 -1.708 -10.630 1.00 0.00 C ATOM 494 CD GLU A 29 2.328 -2.491 -11.486 1.00 0.00 C ATOM 495 OE1 GLU A 29 3.536 -2.177 -11.445 1.00 0.00 O ATOM 496 OE2 GLU A 29 1.885 -3.418 -12.196 1.00 0.00 O ATOM 0 H GLU A 29 2.770 -0.249 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 29 1.110 0.657 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.970 -1.024 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.939 -2.210 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.448 -2.301 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.054 -0.803 -11.160 1.00 0.00 H new ATOM 503 N ARG A 30 -0.375 -1.571 -7.293 1.00 0.00 N ATOM 504 CA ARG A 30 -1.676 -2.093 -6.894 1.00 0.00 C ATOM 505 C ARG A 30 -2.683 -0.961 -6.711 1.00 0.00 C ATOM 506 O ARG A 30 -3.715 -0.919 -7.382 1.00 0.00 O ATOM 507 CB ARG A 30 -1.552 -2.895 -5.597 1.00 0.00 C ATOM 508 CG ARG A 30 -2.790 -3.712 -5.265 1.00 0.00 C ATOM 509 CD ARG A 30 -2.517 -4.709 -4.151 1.00 0.00 C ATOM 510 NE ARG A 30 -2.048 -5.992 -4.667 1.00 0.00 N ATOM 511 CZ ARG A 30 -2.814 -6.833 -5.354 1.00 0.00 C ATOM 512 NH1 ARG A 30 -4.079 -6.526 -5.606 1.00 0.00 N ATOM 513 NH2 ARG A 30 -2.315 -7.982 -5.791 1.00 0.00 N ATOM 0 H ARG A 30 0.412 -1.959 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.034 -2.750 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.695 -3.564 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.348 -2.210 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.599 -3.045 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.126 -4.243 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.771 -4.297 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.427 -4.862 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.079 -6.257 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.466 -5.643 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.665 -7.173 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.342 -8.221 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.904 -8.626 -6.318 1.00 0.00 H new ATOM 527 N LEU A 31 -2.378 -0.046 -5.797 1.00 0.00 N ATOM 528 CA LEU A 31 -3.256 1.086 -5.525 1.00 0.00 C ATOM 529 C LEU A 31 -3.581 1.844 -6.808 1.00 0.00 C ATOM 530 O LEU A 31 -4.727 2.227 -7.040 1.00 0.00 O ATOM 531 CB LEU A 31 -2.604 2.030 -4.512 1.00 0.00 C ATOM 532 CG LEU A 31 -2.616 1.563 -3.056 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.571 2.315 -2.246 1.00 0.00 C ATOM 534 CD2 LEU A 31 -3.999 1.749 -2.448 1.00 0.00 C ATOM 0 H LEU A 31 -1.529 -0.066 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.186 0.701 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.569 2.194 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.108 2.995 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.370 0.501 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.594 1.970 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.583 2.132 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.786 3.383 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.989 1.411 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.273 2.803 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.726 1.166 -3.013 1.00 0.00 H new ATOM 546 N GLN A 32 -2.564 2.055 -7.638 1.00 0.00 N ATOM 547 CA GLN A 32 -2.743 2.766 -8.898 1.00 0.00 C ATOM 548 C GLN A 32 -3.759 2.054 -9.786 1.00 0.00 C ATOM 549 O GLN A 32 -4.562 2.694 -10.464 1.00 0.00 O ATOM 550 CB GLN A 32 -1.407 2.892 -9.631 1.00 0.00 C ATOM 551 CG GLN A 32 -0.632 4.149 -9.273 1.00 0.00 C ATOM 552 CD GLN A 32 0.492 4.441 -10.248 1.00 0.00 C ATOM 553 OE1 GLN A 32 0.687 3.714 -11.223 1.00 0.00 O ATOM 554 NE2 GLN A 32 1.238 5.509 -9.990 1.00 0.00 N ATOM 0 H GLN A 32 -1.609 1.744 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.121 3.763 -8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.794 2.020 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.589 2.882 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.316 4.998 -9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.219 4.043 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.040 6.083 -9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.008 5.755 -10.611 1.00 0.00 H new ATOM 563 N SER A 33 -3.717 0.726 -9.776 1.00 0.00 N ATOM 564 CA SER A 33 -4.630 -0.074 -10.584 1.00 0.00 C ATOM 565 C SER A 33 -6.073 0.124 -10.129 1.00 0.00 C ATOM 566 O SER A 33 -6.948 0.454 -10.930 1.00 0.00 O ATOM 567 CB SER A 33 -4.256 -1.555 -10.500 1.00 0.00 C ATOM 568 OG SER A 33 -4.610 -2.239 -11.690 1.00 0.00 O ATOM 0 H SER A 33 -3.060 0.181 -9.217 1.00 0.00 H new ATOM 0 HA SER A 33 -4.544 0.257 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.185 -1.653 -10.325 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.761 -2.013 -9.650 1.00 0.00 H new ATOM 0 HG SER A 33 -4.359 -3.183 -11.612 1.00 0.00 H new ATOM 574 N TYR A 34 -6.313 -0.079 -8.839 1.00 0.00 N ATOM 575 CA TYR A 34 -7.649 0.074 -8.276 1.00 0.00 C ATOM 576 C TYR A 34 -8.271 1.400 -8.704 1.00 0.00 C ATOM 577 O TYR A 34 -9.370 1.434 -9.260 1.00 0.00 O ATOM 578 CB TYR A 34 -7.595 -0.007 -6.749 1.00 0.00 C ATOM 579 CG TYR A 34 -8.912 0.314 -6.079 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.269 1.627 -5.799 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.798 -0.695 -5.726 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.471 1.925 -5.186 1.00 0.00 C ATOM 583 CE2 TYR A 34 -11.003 -0.407 -5.114 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.334 0.905 -4.845 1.00 0.00 C ATOM 585 OH TYR A 34 -12.533 1.198 -4.236 1.00 0.00 O ATOM 0 H TYR A 34 -5.599 -0.350 -8.163 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.270 -0.738 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.284 -1.010 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.834 0.682 -6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.596 2.428 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.541 -1.723 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.733 2.951 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.681 -1.204 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.024 0.367 -4.063 1.00 0.00 H new ATOM 595 N THR A 35 -7.560 2.492 -8.442 1.00 0.00 N ATOM 596 CA THR A 35 -8.041 3.821 -8.799 1.00 0.00 C ATOM 597 C THR A 35 -8.355 3.911 -10.288 1.00 0.00 C ATOM 598 O THR A 35 -9.356 4.507 -10.685 1.00 0.00 O ATOM 599 CB THR A 35 -7.010 4.907 -8.437 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.779 4.913 -7.024 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.491 6.280 -8.883 1.00 0.00 C ATOM 0 H THR A 35 -6.649 2.482 -7.984 1.00 0.00 H new ATOM 0 HA THR A 35 -8.953 3.991 -8.227 1.00 0.00 H new ATOM 0 HB THR A 35 -6.079 4.679 -8.956 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.178 4.176 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.747 7.030 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.637 6.281 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.434 6.513 -8.389 1.00 0.00 H new ATOM 609 N ARG A 36 -7.495 3.314 -11.106 1.00 0.00 N ATOM 610 CA ARG A 36 -7.681 3.327 -12.552 1.00 0.00 C ATOM 611 C ARG A 36 -8.936 2.554 -12.946 1.00 0.00 C ATOM 612 O ARG A 36 -9.700 2.988 -13.807 1.00 0.00 O ATOM 613 CB ARG A 36 -6.460 2.728 -13.251 1.00 0.00 C ATOM 614 CG ARG A 36 -5.389 3.752 -13.590 1.00 0.00 C ATOM 615 CD ARG A 36 -4.561 3.315 -14.789 1.00 0.00 C ATOM 616 NE ARG A 36 -3.739 4.404 -15.312 1.00 0.00 N ATOM 617 CZ ARG A 36 -4.238 5.479 -15.911 1.00 0.00 C ATOM 618 NH1 ARG A 36 -5.549 5.610 -16.061 1.00 0.00 N ATOM 619 NH2 ARG A 36 -3.425 6.427 -16.360 1.00 0.00 N ATOM 0 H ARG A 36 -6.662 2.815 -10.792 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.799 4.364 -12.868 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.026 1.959 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.782 2.235 -14.168 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.857 4.714 -13.800 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.737 3.897 -12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.919 2.482 -14.502 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.224 2.951 -15.574 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.726 4.335 -15.211 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.177 4.884 -15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.930 6.437 -16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.416 6.330 -16.245 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.809 7.252 -16.820 1.00 0.00 H new ATOM 633 N GLN A 37 -9.141 1.405 -12.308 1.00 0.00 N ATOM 634 CA GLN A 37 -10.303 0.571 -12.593 1.00 0.00 C ATOM 635 C GLN A 37 -11.581 1.221 -12.074 1.00 0.00 C ATOM 636 O GLN A 37 -12.464 1.588 -12.850 1.00 0.00 O ATOM 637 CB GLN A 37 -10.129 -0.813 -11.965 1.00 0.00 C ATOM 638 CG GLN A 37 -9.112 -1.684 -12.685 1.00 0.00 C ATOM 639 CD GLN A 37 -9.613 -2.177 -14.029 1.00 0.00 C ATOM 640 OE1 GLN A 37 -10.352 -3.159 -14.107 1.00 0.00 O ATOM 641 NE2 GLN A 37 -9.212 -1.496 -15.096 1.00 0.00 N ATOM 0 H GLN A 37 -8.518 1.031 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.386 0.464 -13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.823 -0.695 -10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.092 -1.323 -11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.192 -1.118 -12.830 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.864 -2.540 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.599 -0.688 -14.985 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.517 -1.781 -16.027 1.00 0.00 H new ATOM 650 N THR A 38 -11.674 1.361 -10.755 1.00 0.00 N ATOM 651 CA THR A 38 -12.844 1.965 -10.131 1.00 0.00 C ATOM 652 C THR A 38 -12.973 3.436 -10.513 1.00 0.00 C ATOM 653 O THR A 38 -14.053 3.901 -10.875 1.00 0.00 O ATOM 654 CB THR A 38 -12.787 1.848 -8.596 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.532 2.343 -8.114 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.970 0.404 -8.157 1.00 0.00 C ATOM 0 H THR A 38 -10.952 1.064 -10.098 1.00 0.00 H new ATOM 0 HA THR A 38 -13.714 1.419 -10.497 1.00 0.00 H new ATOM 0 HB THR A 38 -13.598 2.444 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.816 1.726 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.926 0.346 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.938 0.039 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.178 -0.210 -8.585 1.00 0.00 H new ATOM 664 N GLY A 39 -11.863 4.164 -10.429 1.00 0.00 N ATOM 665 CA GLY A 39 -11.874 5.574 -10.769 1.00 0.00 C ATOM 666 C GLY A 39 -11.769 6.466 -9.548 1.00 0.00 C ATOM 667 O GLY A 39 -11.276 7.591 -9.634 1.00 0.00 O ATOM 0 H GLY A 39 -10.957 3.802 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.045 5.788 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.792 5.807 -11.308 1.00 0.00 H new ATOM 671 N ILE A 40 -12.234 5.964 -8.409 1.00 0.00 N ATOM 672 CA ILE A 40 -12.190 6.724 -7.166 1.00 0.00 C ATOM 673 C ILE A 40 -10.753 6.946 -6.708 1.00 0.00 C ATOM 674 O ILE A 40 -9.903 6.066 -6.847 1.00 0.00 O ATOM 675 CB ILE A 40 -12.972 6.015 -6.045 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.434 5.826 -6.453 1.00 0.00 C ATOM 677 CG2 ILE A 40 -12.875 6.806 -4.749 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.162 4.786 -5.630 1.00 0.00 C ATOM 0 H ILE A 40 -12.645 5.035 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.656 7.688 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.531 5.032 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -14.954 6.779 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.475 5.540 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.433 6.292 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.830 6.892 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.293 7.802 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.193 4.705 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.666 3.822 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.152 5.080 -4.581 1.00 0.00 H new ATOM 690 N VAL A 41 -10.488 8.127 -6.158 1.00 0.00 N ATOM 691 CA VAL A 41 -9.154 8.464 -5.676 1.00 0.00 C ATOM 692 C VAL A 41 -9.067 8.325 -4.160 1.00 0.00 C ATOM 693 O VAL A 41 -9.778 9.006 -3.421 1.00 0.00 O ATOM 694 CB VAL A 41 -8.759 9.899 -6.072 1.00 0.00 C ATOM 695 CG1 VAL A 41 -7.381 10.243 -5.530 1.00 0.00 C ATOM 696 CG2 VAL A 41 -8.803 10.064 -7.584 1.00 0.00 C ATOM 0 H VAL A 41 -11.180 8.866 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.462 7.763 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.478 10.590 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.120 11.261 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.388 10.166 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.646 9.549 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.521 11.084 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.107 9.364 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.812 9.862 -7.943 1.00 0.00 H new ATOM 706 N LEU A 42 -8.190 7.438 -3.702 1.00 0.00 N ATOM 707 CA LEU A 42 -8.008 7.209 -2.273 1.00 0.00 C ATOM 708 C LEU A 42 -7.208 8.342 -1.638 1.00 0.00 C ATOM 709 O LEU A 42 -5.992 8.429 -1.809 1.00 0.00 O ATOM 710 CB LEU A 42 -7.300 5.874 -2.036 1.00 0.00 C ATOM 711 CG LEU A 42 -7.981 4.639 -2.626 1.00 0.00 C ATOM 712 CD1 LEU A 42 -7.033 3.450 -2.616 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.255 4.315 -1.859 1.00 0.00 C ATOM 0 H LEU A 42 -7.594 6.866 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.993 7.178 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.293 5.941 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.195 5.727 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.248 4.855 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.535 2.580 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.150 3.684 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.733 3.232 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.727 3.433 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.011 4.120 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.941 5.160 -1.919 1.00 0.00 H new ATOM 725 N ASN A 43 -7.898 9.207 -0.902 1.00 0.00 N ATOM 726 CA ASN A 43 -7.251 10.334 -0.239 1.00 0.00 C ATOM 727 C ASN A 43 -6.412 9.861 0.943 1.00 0.00 C ATOM 728 O ASN A 43 -6.885 9.103 1.790 1.00 0.00 O ATOM 729 CB ASN A 43 -8.299 11.343 0.236 1.00 0.00 C ATOM 730 CG ASN A 43 -7.848 12.109 1.465 1.00 0.00 C ATOM 731 OD1 ASN A 43 -8.080 11.532 2.639 1.00 0.00 O flip ATOM 732 ND2 ASN A 43 -7.298 13.205 1.360 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.905 9.149 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.591 10.817 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.513 12.046 -0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.229 10.820 0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.140 13.610 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.000 13.708 2.196 1.00 0.00 H new ATOM 739 N ARG A 44 -5.163 10.314 0.995 1.00 0.00 N ATOM 740 CA ARG A 44 -4.257 9.936 2.073 1.00 0.00 C ATOM 741 C ARG A 44 -4.850 10.295 3.432 1.00 0.00 C ATOM 742 O ARG A 44 -5.513 11.320 3.597 1.00 0.00 O ATOM 743 CB ARG A 44 -2.904 10.628 1.896 1.00 0.00 C ATOM 744 CG ARG A 44 -1.984 10.482 3.097 1.00 0.00 C ATOM 745 CD ARG A 44 -0.968 11.612 3.162 1.00 0.00 C ATOM 746 NE ARG A 44 0.253 11.211 3.855 1.00 0.00 N ATOM 747 CZ ARG A 44 1.349 11.959 3.904 1.00 0.00 C ATOM 748 NH1 ARG A 44 1.377 13.140 3.302 1.00 0.00 N ATOM 749 NH2 ARG A 44 2.421 11.526 4.555 1.00 0.00 N ATOM 0 H ARG A 44 -4.756 10.943 0.303 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.114 8.856 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.408 10.217 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.070 11.688 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.577 10.471 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.463 9.526 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.721 11.936 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.410 12.468 3.672 1.00 0.00 H new ATOM 0 HE ARG A 44 0.265 10.307 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.555 13.476 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.220 13.713 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.404 10.618 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.262 12.102 4.592 1.00 0.00 H new ATOM 763 N PRO A 45 -4.609 9.432 4.430 1.00 0.00 N ATOM 764 CA PRO A 45 -5.110 9.636 5.792 1.00 0.00 C ATOM 765 C PRO A 45 -4.416 10.797 6.497 1.00 0.00 C ATOM 766 O PRO A 45 -3.385 11.287 6.038 1.00 0.00 O ATOM 767 CB PRO A 45 -4.785 8.314 6.492 1.00 0.00 C ATOM 768 CG PRO A 45 -3.631 7.757 5.732 1.00 0.00 C ATOM 769 CD PRO A 45 -3.827 8.190 4.305 1.00 0.00 C ATOM 0 HA PRO A 45 -6.170 9.890 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.529 8.473 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.637 7.635 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.686 8.131 6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.601 6.670 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.875 8.363 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.360 7.436 3.726 1.00 0.00 H new ATOM 777 N SER A 46 -4.989 11.231 7.615 1.00 0.00 N ATOM 778 CA SER A 46 -4.427 12.337 8.382 1.00 0.00 C ATOM 779 C SER A 46 -5.070 12.423 9.763 1.00 0.00 C ATOM 780 O SER A 46 -6.293 12.444 9.890 1.00 0.00 O ATOM 781 CB SER A 46 -4.623 13.657 7.633 1.00 0.00 C ATOM 782 OG SER A 46 -3.649 14.611 8.016 1.00 0.00 O ATOM 0 H SER A 46 -5.842 10.834 8.010 1.00 0.00 H new ATOM 0 HA SER A 46 -3.360 12.154 8.508 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.562 13.482 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.620 14.049 7.836 1.00 0.00 H new ATOM 0 HG SER A 46 -3.795 15.445 7.522 1.00 0.00 H new ATOM 788 N GLY A 47 -4.234 12.472 10.796 1.00 0.00 N ATOM 789 CA GLY A 47 -4.738 12.554 12.154 1.00 0.00 C ATOM 790 C GLY A 47 -3.641 12.404 13.189 1.00 0.00 C ATOM 791 O GLY A 47 -3.183 13.379 13.786 1.00 0.00 O ATOM 0 H GLY A 47 -3.217 12.456 10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.238 13.512 12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.487 11.777 12.308 1.00 0.00 H new ATOM 795 N PRO A 48 -3.202 11.157 13.416 1.00 0.00 N ATOM 796 CA PRO A 48 -2.148 10.853 14.388 1.00 0.00 C ATOM 797 C PRO A 48 -0.781 11.356 13.936 1.00 0.00 C ATOM 798 O PRO A 48 0.117 11.561 14.754 1.00 0.00 O ATOM 799 CB PRO A 48 -2.159 9.324 14.457 1.00 0.00 C ATOM 800 CG PRO A 48 -2.712 8.890 13.144 1.00 0.00 C ATOM 801 CD PRO A 48 -3.702 9.948 12.741 1.00 0.00 C ATOM 0 HA PRO A 48 -2.326 11.338 15.348 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.156 8.928 14.615 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.775 8.969 15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.921 8.792 12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.194 7.916 13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.735 10.076 11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.712 9.697 13.063 1.00 0.00 H new ATOM 809 N SER A 49 -0.630 11.554 12.631 1.00 0.00 N ATOM 810 CA SER A 49 0.629 12.031 12.070 1.00 0.00 C ATOM 811 C SER A 49 1.233 13.126 12.944 1.00 0.00 C ATOM 812 O SER A 49 0.535 13.758 13.737 1.00 0.00 O ATOM 813 CB SER A 49 0.413 12.556 10.650 1.00 0.00 C ATOM 814 OG SER A 49 -0.059 13.892 10.667 1.00 0.00 O ATOM 0 H SER A 49 -1.364 11.392 11.942 1.00 0.00 H new ATOM 0 HA SER A 49 1.324 11.192 12.037 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.349 12.505 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.303 11.921 10.129 1.00 0.00 H new ATOM 0 HG SER A 49 -0.188 14.205 9.747 1.00 0.00 H new ATOM 820 N SER A 50 2.535 13.345 12.792 1.00 0.00 N ATOM 821 CA SER A 50 3.235 14.361 13.570 1.00 0.00 C ATOM 822 C SER A 50 2.447 15.667 13.591 1.00 0.00 C ATOM 823 O SER A 50 1.522 15.860 12.803 1.00 0.00 O ATOM 824 CB SER A 50 4.630 14.604 12.992 1.00 0.00 C ATOM 825 OG SER A 50 5.412 13.423 13.033 1.00 0.00 O ATOM 0 H SER A 50 3.127 12.833 12.138 1.00 0.00 H new ATOM 0 HA SER A 50 3.331 13.998 14.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.545 14.952 11.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.128 15.393 13.555 1.00 0.00 H new ATOM 0 HG SER A 50 6.298 13.604 12.656 1.00 0.00 H new ATOM 831 N GLY A 51 2.821 16.562 14.501 1.00 0.00 N ATOM 832 CA GLY A 51 2.139 17.839 14.609 1.00 0.00 C ATOM 833 C GLY A 51 1.970 18.522 13.267 1.00 0.00 C ATOM 834 O GLY A 51 1.851 19.745 13.196 1.00 0.00 O ATOM 0 H GLY A 51 3.583 16.426 15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.159 17.687 15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.701 18.492 15.277 1.00 0.00 H new TER 838 GLY A 51