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 -136:sc= 1.1 USER MOD Set 1.2: A 35 THR OG1 : rot 80:sc= 2.01 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER OG : rot -51:sc= 0.489 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -145:sc= 0.0334 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.576 K(o=-0.58,f=-2.7) USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= 0.00414 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.11) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.701 K(o=-0.7,f=-3.3!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.389 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 THR OG1 : rot -59:sc= 1.08 USER MOD Single : A 43 ASN : amide:sc= -5.2! C(o=-5.2!,f=-7.2!) 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 -8.682 16.906 -5.153 1.00 0.00 N ATOM 2 CA GLY A -6 -7.296 16.538 -4.933 1.00 0.00 C ATOM 3 C GLY A -6 -6.433 16.771 -6.157 1.00 0.00 C ATOM 4 O GLY A -6 -6.739 17.626 -6.988 1.00 0.00 O ATOM 0 H1 GLY A -6 -9.080 17.298 -4.276 1.00 0.00 H new ATOM 0 H2 GLY A -6 -8.736 17.620 -5.907 1.00 0.00 H new ATOM 0 H3 GLY A -6 -9.224 16.064 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -6.899 17.114 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -7.243 15.487 -4.650 1.00 0.00 H new ATOM 8 N SER A -5 -5.349 16.009 -6.269 1.00 0.00 N ATOM 9 CA SER A -5 -4.436 16.140 -7.398 1.00 0.00 C ATOM 10 C SER A -5 -3.482 14.951 -7.465 1.00 0.00 C ATOM 11 O SER A -5 -2.824 14.612 -6.482 1.00 0.00 O ATOM 12 CB SER A -5 -3.639 17.442 -7.288 1.00 0.00 C ATOM 13 OG SER A -5 -3.298 17.940 -8.569 1.00 0.00 O ATOM 0 H SER A -5 -5.082 15.295 -5.591 1.00 0.00 H new ATOM 0 HA SER A -5 -5.028 16.161 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A -5 -4.225 18.186 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A -5 -2.732 17.269 -6.708 1.00 0.00 H new ATOM 0 HG SER A -5 -2.791 18.773 -8.472 1.00 0.00 H new ATOM 19 N SER A -4 -3.413 14.322 -8.634 1.00 0.00 N ATOM 20 CA SER A -4 -2.543 13.168 -8.831 1.00 0.00 C ATOM 21 C SER A -4 -1.086 13.535 -8.569 1.00 0.00 C ATOM 22 O SER A -4 -0.540 14.444 -9.195 1.00 0.00 O ATOM 23 CB SER A -4 -2.696 12.624 -10.253 1.00 0.00 C ATOM 24 OG SER A -4 -2.276 11.273 -10.330 1.00 0.00 O ATOM 0 H SER A -4 -3.949 14.592 -9.459 1.00 0.00 H new ATOM 0 HA SER A -4 -2.838 12.396 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A -4 -3.737 12.703 -10.566 1.00 0.00 H new ATOM 0 HB3 SER A -4 -2.109 13.230 -10.943 1.00 0.00 H new ATOM 0 HG SER A -4 -2.385 10.948 -11.248 1.00 0.00 H new ATOM 30 N GLY A -3 -0.460 12.822 -7.638 1.00 0.00 N ATOM 31 CA GLY A -3 0.928 13.087 -7.308 1.00 0.00 C ATOM 32 C GLY A -3 1.860 12.837 -8.477 1.00 0.00 C ATOM 33 O GLY A -3 1.434 12.850 -9.632 1.00 0.00 O ATOM 0 H GLY A -3 -0.890 12.065 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.029 14.122 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.225 12.458 -6.469 1.00 0.00 H new ATOM 37 N SER A -2 3.135 12.611 -8.178 1.00 0.00 N ATOM 38 CA SER A -2 4.131 12.363 -9.214 1.00 0.00 C ATOM 39 C SER A -2 3.976 10.959 -9.791 1.00 0.00 C ATOM 40 O SER A -2 3.981 10.771 -11.007 1.00 0.00 O ATOM 41 CB SER A -2 5.541 12.542 -8.649 1.00 0.00 C ATOM 42 OG SER A -2 5.897 13.912 -8.593 1.00 0.00 O ATOM 0 H SER A -2 3.503 12.594 -7.227 1.00 0.00 H new ATOM 0 HA SER A -2 3.974 13.086 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A -2 5.594 12.108 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A -2 6.256 12.002 -9.270 1.00 0.00 H new ATOM 0 HG SER A -2 6.802 14.000 -8.227 1.00 0.00 H new ATOM 48 N SER A -1 3.840 9.975 -8.907 1.00 0.00 N ATOM 49 CA SER A -1 3.688 8.586 -9.327 1.00 0.00 C ATOM 50 C SER A -1 2.489 7.940 -8.641 1.00 0.00 C ATOM 51 O SER A -1 2.539 6.776 -8.244 1.00 0.00 O ATOM 52 CB SER A -1 4.959 7.794 -9.012 1.00 0.00 C ATOM 53 OG SER A -1 4.898 6.492 -9.567 1.00 0.00 O ATOM 0 H SER A -1 3.832 10.114 -7.896 1.00 0.00 H new ATOM 0 HA SER A -1 3.519 8.574 -10.404 1.00 0.00 H new ATOM 0 HB2 SER A -1 5.827 8.321 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A -1 5.091 7.727 -7.932 1.00 0.00 H new ATOM 0 HG SER A -1 4.054 6.066 -9.310 1.00 0.00 H new ATOM 59 N GLY A 0 1.409 8.704 -8.505 1.00 0.00 N ATOM 60 CA GLY A 0 0.212 8.190 -7.867 1.00 0.00 C ATOM 61 C GLY A 0 0.327 8.162 -6.355 1.00 0.00 C ATOM 62 O GLY A 0 -0.017 9.134 -5.682 1.00 0.00 O ATOM 0 H GLY A 0 1.342 9.670 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.641 8.806 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 0 0.014 7.182 -8.232 1.00 0.00 H new ATOM 66 N TYR A 1 0.809 7.046 -5.821 1.00 0.00 N ATOM 67 CA TYR A 1 0.964 6.894 -4.379 1.00 0.00 C ATOM 68 C TYR A 1 2.418 6.610 -4.014 1.00 0.00 C ATOM 69 O TYR A 1 2.706 5.734 -3.200 1.00 0.00 O ATOM 70 CB TYR A 1 0.068 5.766 -3.865 1.00 0.00 C ATOM 71 CG TYR A 1 -1.382 5.914 -4.266 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.199 6.859 -3.658 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.935 5.109 -5.255 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.525 6.997 -4.022 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.259 5.241 -5.626 1.00 0.00 C ATOM 76 CZ TYR A 1 -4.050 6.186 -5.006 1.00 0.00 C ATOM 77 OH TYR A 1 -5.370 6.321 -5.372 1.00 0.00 O ATOM 0 H TYR A 1 1.099 6.233 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 1 0.666 7.830 -3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.445 4.815 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.133 5.728 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.791 7.497 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.319 4.368 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -4.147 7.736 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.673 4.608 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.777 5.434 -5.462 1.00 0.00 H new ATOM 87 N GLY A 2 3.332 7.359 -4.625 1.00 0.00 N ATOM 88 CA GLY A 2 4.745 7.174 -4.352 1.00 0.00 C ATOM 89 C GLY A 2 5.164 7.779 -3.027 1.00 0.00 C ATOM 90 O GLY A 2 5.836 7.131 -2.225 1.00 0.00 O ATOM 0 H GLY A 2 3.119 8.090 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.975 6.109 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.329 7.625 -5.154 1.00 0.00 H new ATOM 94 N ALA A 3 4.767 9.027 -2.796 1.00 0.00 N ATOM 95 CA ALA A 3 5.106 9.719 -1.559 1.00 0.00 C ATOM 96 C ALA A 3 4.693 8.900 -0.340 1.00 0.00 C ATOM 97 O ALA A 3 5.329 8.970 0.711 1.00 0.00 O ATOM 98 CB ALA A 3 4.446 11.090 -1.524 1.00 0.00 C ATOM 0 H ALA A 3 4.211 9.578 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 3 6.188 9.847 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.707 11.596 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.793 11.683 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.364 10.974 -1.582 1.00 0.00 H new ATOM 104 N TRP A 4 3.625 8.124 -0.489 1.00 0.00 N ATOM 105 CA TRP A 4 3.127 7.292 0.600 1.00 0.00 C ATOM 106 C TRP A 4 4.236 6.406 1.159 1.00 0.00 C ATOM 107 O TRP A 4 5.190 6.074 0.456 1.00 0.00 O ATOM 108 CB TRP A 4 1.961 6.428 0.117 1.00 0.00 C ATOM 109 CG TRP A 4 0.687 7.196 -0.064 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.560 8.471 -0.537 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.638 6.739 0.226 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.765 8.834 -0.558 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.520 7.789 -0.096 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.165 5.545 0.724 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.899 7.678 0.066 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.533 5.436 0.884 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.388 6.497 0.556 1.00 0.00 C ATOM 0 H TRP A 4 3.088 8.054 -1.353 1.00 0.00 H new ATOM 0 HA TRP A 4 2.777 7.949 1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.232 5.960 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.793 5.624 0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.380 9.101 -0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.128 9.736 -0.868 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.515 4.722 0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.559 8.495 -0.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.951 4.517 1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.453 6.381 0.692 1.00 0.00 H new ATOM 128 N ALA A 5 4.102 6.027 2.425 1.00 0.00 N ATOM 129 CA ALA A 5 5.092 5.178 3.077 1.00 0.00 C ATOM 130 C ALA A 5 4.594 3.741 3.188 1.00 0.00 C ATOM 131 O ALA A 5 3.390 3.487 3.160 1.00 0.00 O ATOM 132 CB ALA A 5 5.435 5.728 4.453 1.00 0.00 C ATOM 0 H ALA A 5 3.318 6.294 3.020 1.00 0.00 H new ATOM 0 HA ALA A 5 5.993 5.176 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.175 5.084 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.841 6.734 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.535 5.760 5.067 1.00 0.00 H new ATOM 138 N ALA A 6 5.528 2.804 3.313 1.00 0.00 N ATOM 139 CA ALA A 6 5.184 1.393 3.430 1.00 0.00 C ATOM 140 C ALA A 6 3.961 1.198 4.320 1.00 0.00 C ATOM 141 O ALA A 6 3.043 0.455 3.973 1.00 0.00 O ATOM 142 CB ALA A 6 6.366 0.604 3.974 1.00 0.00 C ATOM 0 H ALA A 6 6.529 2.997 3.336 1.00 0.00 H new ATOM 0 HA ALA A 6 4.940 1.021 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.094 -0.448 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.215 0.708 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.637 0.986 4.958 1.00 0.00 H new ATOM 148 N GLN A 7 3.957 1.868 5.467 1.00 0.00 N ATOM 149 CA GLN A 7 2.847 1.766 6.407 1.00 0.00 C ATOM 150 C GLN A 7 1.540 2.207 5.756 1.00 0.00 C ATOM 151 O GLN A 7 0.570 1.452 5.718 1.00 0.00 O ATOM 152 CB GLN A 7 3.123 2.615 7.649 1.00 0.00 C ATOM 153 CG GLN A 7 4.166 2.013 8.578 1.00 0.00 C ATOM 154 CD GLN A 7 4.728 3.025 9.557 1.00 0.00 C ATOM 155 OE1 GLN A 7 4.106 3.332 10.575 1.00 0.00 O ATOM 156 NE2 GLN A 7 5.910 3.548 9.256 1.00 0.00 N ATOM 0 H GLN A 7 4.710 2.487 5.768 1.00 0.00 H new ATOM 0 HA GLN A 7 2.750 0.722 6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.455 3.605 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.193 2.751 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.720 1.186 9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.980 1.597 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.390 3.265 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.338 4.233 9.879 1.00 0.00 H new ATOM 165 N GLU A 8 1.524 3.434 5.245 1.00 0.00 N ATOM 166 CA GLU A 8 0.335 3.975 4.596 1.00 0.00 C ATOM 167 C GLU A 8 -0.196 3.009 3.541 1.00 0.00 C ATOM 168 O GLU A 8 -1.345 2.572 3.606 1.00 0.00 O ATOM 169 CB GLU A 8 0.649 5.328 3.953 1.00 0.00 C ATOM 170 CG GLU A 8 1.185 6.358 4.933 1.00 0.00 C ATOM 171 CD GLU A 8 1.206 7.759 4.354 1.00 0.00 C ATOM 172 OE1 GLU A 8 0.209 8.151 3.713 1.00 0.00 O ATOM 173 OE2 GLU A 8 2.220 8.463 4.543 1.00 0.00 O ATOM 0 H GLU A 8 2.320 4.072 5.268 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.433 4.112 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.379 5.182 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.256 5.718 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.571 6.350 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.195 6.078 5.233 1.00 0.00 H new ATOM 180 N LEU A 9 0.649 2.681 2.569 1.00 0.00 N ATOM 181 CA LEU A 9 0.265 1.767 1.499 1.00 0.00 C ATOM 182 C LEU A 9 -0.325 0.481 2.066 1.00 0.00 C ATOM 183 O LEU A 9 -1.454 0.111 1.745 1.00 0.00 O ATOM 184 CB LEU A 9 1.476 1.443 0.621 1.00 0.00 C ATOM 185 CG LEU A 9 2.277 2.641 0.112 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.582 2.182 -0.519 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.455 3.448 -0.883 1.00 0.00 C ATOM 0 H LEU A 9 1.603 3.034 2.500 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.497 2.256 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.147 0.797 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.132 0.869 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 9 2.515 3.282 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.138 3.049 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.177 1.649 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.367 1.519 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.041 4.297 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.186 2.816 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.548 3.809 -0.398 1.00 0.00 H new ATOM 199 N GLN A 10 0.445 -0.195 2.913 1.00 0.00 N ATOM 200 CA GLN A 10 -0.004 -1.439 3.526 1.00 0.00 C ATOM 201 C GLN A 10 -1.367 -1.260 4.186 1.00 0.00 C ATOM 202 O GLN A 10 -2.255 -2.099 4.036 1.00 0.00 O ATOM 203 CB GLN A 10 1.017 -1.920 4.559 1.00 0.00 C ATOM 204 CG GLN A 10 2.204 -2.648 3.949 1.00 0.00 C ATOM 205 CD GLN A 10 3.004 -3.423 4.976 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.062 -4.652 4.936 1.00 0.00 O ATOM 207 NE2 GLN A 10 3.628 -2.707 5.905 1.00 0.00 N ATOM 0 H GLN A 10 1.382 0.098 3.190 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.097 -2.189 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.380 -1.062 5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.520 -2.583 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.849 -3.333 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.855 -1.925 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.553 -1.690 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.182 -3.175 6.622 1.00 0.00 H new ATOM 216 N ALA A 11 -1.525 -0.162 4.918 1.00 0.00 N ATOM 217 CA ALA A 11 -2.781 0.128 5.599 1.00 0.00 C ATOM 218 C ALA A 11 -3.959 0.055 4.633 1.00 0.00 C ATOM 219 O ALA A 11 -4.786 -0.854 4.713 1.00 0.00 O ATOM 220 CB ALA A 11 -2.720 1.498 6.258 1.00 0.00 C ATOM 0 H ALA A 11 -0.799 0.541 5.055 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.930 -0.628 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.664 1.701 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.909 1.516 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.543 2.260 5.498 1.00 0.00 H new ATOM 226 N LYS A 12 -4.031 1.019 3.722 1.00 0.00 N ATOM 227 CA LYS A 12 -5.107 1.065 2.739 1.00 0.00 C ATOM 228 C LYS A 12 -5.342 -0.310 2.124 1.00 0.00 C ATOM 229 O LYS A 12 -6.445 -0.854 2.194 1.00 0.00 O ATOM 230 CB LYS A 12 -4.780 2.078 1.640 1.00 0.00 C ATOM 231 CG LYS A 12 -5.248 3.489 1.954 1.00 0.00 C ATOM 232 CD LYS A 12 -6.759 3.555 2.100 1.00 0.00 C ATOM 233 CE LYS A 12 -7.274 4.976 1.927 1.00 0.00 C ATOM 234 NZ LYS A 12 -7.276 5.726 3.213 1.00 0.00 N ATOM 0 H LYS A 12 -3.356 1.780 3.644 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.018 1.375 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.702 2.090 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.240 1.751 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.777 3.833 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.928 4.165 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.226 2.905 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.048 3.179 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.653 5.501 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.285 4.949 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.079 6.730 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.207 5.633 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.544 5.339 3.842 1.00 0.00 H new ATOM 248 N LEU A 13 -4.298 -0.870 1.523 1.00 0.00 N ATOM 249 CA LEU A 13 -4.390 -2.184 0.896 1.00 0.00 C ATOM 250 C LEU A 13 -5.169 -3.155 1.778 1.00 0.00 C ATOM 251 O LEU A 13 -6.227 -3.648 1.389 1.00 0.00 O ATOM 252 CB LEU A 13 -2.991 -2.738 0.620 1.00 0.00 C ATOM 253 CG LEU A 13 -2.199 -2.042 -0.487 1.00 0.00 C ATOM 254 CD1 LEU A 13 -1.002 -2.885 -0.899 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.093 -1.760 -1.686 1.00 0.00 C ATOM 0 H LEU A 13 -3.378 -0.435 1.457 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.923 -2.072 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.412 -2.684 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.084 -3.793 0.364 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.832 -1.091 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.451 -2.373 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.349 -3.035 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.347 -3.852 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.513 -1.264 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.491 -2.699 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.917 -1.115 -1.382 1.00 0.00 H new ATOM 267 N ALA A 14 -4.639 -3.422 2.967 1.00 0.00 N ATOM 268 CA ALA A 14 -5.287 -4.330 3.905 1.00 0.00 C ATOM 269 C ALA A 14 -6.666 -3.816 4.303 1.00 0.00 C ATOM 270 O ALA A 14 -7.535 -4.590 4.703 1.00 0.00 O ATOM 271 CB ALA A 14 -4.417 -4.522 5.139 1.00 0.00 C ATOM 0 H ALA A 14 -3.763 -3.022 3.303 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.416 -5.293 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.913 -5.202 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.455 -4.941 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.259 -3.560 5.626 1.00 0.00 H new ATOM 277 N GLU A 15 -6.860 -2.505 4.189 1.00 0.00 N ATOM 278 CA GLU A 15 -8.134 -1.889 4.539 1.00 0.00 C ATOM 279 C GLU A 15 -9.241 -2.356 3.597 1.00 0.00 C ATOM 280 O GLU A 15 -10.337 -2.706 4.036 1.00 0.00 O ATOM 281 CB GLU A 15 -8.019 -0.364 4.491 1.00 0.00 C ATOM 282 CG GLU A 15 -9.035 0.351 5.366 1.00 0.00 C ATOM 283 CD GLU A 15 -10.466 0.037 4.975 1.00 0.00 C ATOM 284 OE1 GLU A 15 -10.759 0.024 3.761 1.00 0.00 O ATOM 285 OE2 GLU A 15 -11.292 -0.196 5.881 1.00 0.00 O ATOM 0 H GLU A 15 -6.152 -1.850 3.857 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.390 -2.195 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.016 -0.074 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.142 -0.031 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.876 0.067 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.872 1.427 5.300 1.00 0.00 H new ATOM 292 N ILE A 16 -8.945 -2.358 2.301 1.00 0.00 N ATOM 293 CA ILE A 16 -9.914 -2.781 1.298 1.00 0.00 C ATOM 294 C ILE A 16 -9.957 -4.301 1.183 1.00 0.00 C ATOM 295 O ILE A 16 -10.626 -4.850 0.308 1.00 0.00 O ATOM 296 CB ILE A 16 -9.592 -2.182 -0.084 1.00 0.00 C ATOM 297 CG1 ILE A 16 -8.146 -2.495 -0.475 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.832 -0.680 -0.078 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.840 -2.215 -1.930 1.00 0.00 C ATOM 0 H ILE A 16 -8.042 -2.072 1.922 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.887 -2.415 1.625 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.254 -2.633 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.474 -1.906 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.940 -3.544 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.600 -0.271 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.876 -0.479 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.192 -0.212 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.798 -2.460 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.487 -2.823 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.014 -1.160 -2.142 1.00 0.00 H new ATOM 311 N GLY A 17 -9.238 -4.978 2.074 1.00 0.00 N ATOM 312 CA GLY A 17 -9.209 -6.428 2.057 1.00 0.00 C ATOM 313 C GLY A 17 -8.218 -6.976 1.050 1.00 0.00 C ATOM 314 O GLY A 17 -8.435 -8.040 0.470 1.00 0.00 O ATOM 0 H GLY A 17 -8.675 -4.547 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.953 -6.795 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.205 -6.806 1.825 1.00 0.00 H new ATOM 318 N ALA A 18 -7.127 -6.248 0.839 1.00 0.00 N ATOM 319 CA ALA A 18 -6.098 -6.667 -0.105 1.00 0.00 C ATOM 320 C ALA A 18 -4.826 -7.089 0.622 1.00 0.00 C ATOM 321 O ALA A 18 -4.541 -6.646 1.735 1.00 0.00 O ATOM 322 CB ALA A 18 -5.799 -5.548 -1.091 1.00 0.00 C ATOM 0 H ALA A 18 -6.932 -5.364 1.309 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.474 -7.530 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.029 -5.875 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.705 -5.296 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.448 -4.670 -0.549 1.00 0.00 H new ATOM 328 N PRO A 19 -4.041 -7.968 -0.020 1.00 0.00 N ATOM 329 CA PRO A 19 -2.785 -8.469 0.547 1.00 0.00 C ATOM 330 C PRO A 19 -1.705 -7.395 0.603 1.00 0.00 C ATOM 331 O PRO A 19 -1.536 -6.621 -0.340 1.00 0.00 O ATOM 332 CB PRO A 19 -2.380 -9.585 -0.419 1.00 0.00 C ATOM 333 CG PRO A 19 -3.028 -9.221 -1.711 1.00 0.00 C ATOM 334 CD PRO A 19 -4.318 -8.538 -1.349 1.00 0.00 C ATOM 0 HA PRO A 19 -2.908 -8.802 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.297 -9.645 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.721 -10.558 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.388 -8.561 -2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.213 -10.107 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.580 -7.765 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.150 -9.241 -1.319 1.00 0.00 H new ATOM 342 N ILE A 20 -0.976 -7.353 1.713 1.00 0.00 N ATOM 343 CA ILE A 20 0.090 -6.374 1.891 1.00 0.00 C ATOM 344 C ILE A 20 1.459 -7.003 1.656 1.00 0.00 C ATOM 345 O ILE A 20 2.393 -6.783 2.426 1.00 0.00 O ATOM 346 CB ILE A 20 0.056 -5.755 3.300 1.00 0.00 C ATOM 347 CG1 ILE A 20 -0.022 -6.854 4.362 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.120 -4.800 3.432 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.341 -6.379 5.752 1.00 0.00 C ATOM 0 H ILE A 20 -1.104 -7.986 2.503 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.077 -5.588 1.154 1.00 0.00 H new ATOM 0 HB ILE A 20 0.976 -5.191 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.033 -7.261 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.645 -7.669 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.130 -4.371 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.025 -4.001 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.050 -5.342 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.264 -7.211 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.363 -5.999 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.341 -5.585 6.055 1.00 0.00 H new ATOM 361 N GLN A 21 1.569 -7.785 0.587 1.00 0.00 N ATOM 362 CA GLN A 21 2.825 -8.446 0.251 1.00 0.00 C ATOM 363 C GLN A 21 3.495 -7.768 -0.940 1.00 0.00 C ATOM 364 O GLN A 21 2.843 -7.071 -1.717 1.00 0.00 O ATOM 365 CB GLN A 21 2.582 -9.924 -0.059 1.00 0.00 C ATOM 366 CG GLN A 21 2.636 -10.819 1.169 1.00 0.00 C ATOM 367 CD GLN A 21 4.039 -10.962 1.726 1.00 0.00 C ATOM 368 OE1 GLN A 21 4.313 -10.563 2.858 1.00 0.00 O ATOM 369 NE2 GLN A 21 4.936 -11.533 0.931 1.00 0.00 N ATOM 0 H GLN A 21 0.805 -7.976 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 21 3.489 -8.368 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.607 -10.032 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.327 -10.263 -0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.983 -10.411 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.249 -11.805 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.665 -11.849 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.897 -11.656 1.251 1.00 0.00 H new ATOM 378 N GLY A 22 4.800 -7.978 -1.078 1.00 0.00 N ATOM 379 CA GLY A 22 5.536 -7.380 -2.176 1.00 0.00 C ATOM 380 C GLY A 22 6.375 -6.196 -1.736 1.00 0.00 C ATOM 381 O GLY A 22 6.466 -5.900 -0.545 1.00 0.00 O ATOM 0 H GLY A 22 5.361 -8.552 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.183 -8.132 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.835 -7.058 -2.946 1.00 0.00 H new ATOM 385 N ASN A 23 6.992 -5.519 -2.699 1.00 0.00 N ATOM 386 CA ASN A 23 7.830 -4.363 -2.404 1.00 0.00 C ATOM 387 C ASN A 23 7.057 -3.064 -2.608 1.00 0.00 C ATOM 388 O ASN A 23 5.907 -3.077 -3.048 1.00 0.00 O ATOM 389 CB ASN A 23 9.077 -4.371 -3.291 1.00 0.00 C ATOM 390 CG ASN A 23 10.204 -5.194 -2.696 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.896 -4.750 -1.780 1.00 0.00 O ATOM 392 ND2 ASN A 23 10.393 -6.401 -3.217 1.00 0.00 N ATOM 0 H ASN A 23 6.927 -5.751 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 23 8.134 -4.424 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.819 -4.769 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.419 -3.347 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.136 -7.001 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.795 -6.728 -3.976 1.00 0.00 H new ATOM 399 N ARG A 24 7.695 -1.944 -2.284 1.00 0.00 N ATOM 400 CA ARG A 24 7.067 -0.637 -2.431 1.00 0.00 C ATOM 401 C ARG A 24 6.454 -0.481 -3.819 1.00 0.00 C ATOM 402 O ARG A 24 5.256 -0.232 -3.954 1.00 0.00 O ATOM 403 CB ARG A 24 8.089 0.474 -2.185 1.00 0.00 C ATOM 404 CG ARG A 24 7.463 1.844 -1.978 1.00 0.00 C ATOM 405 CD ARG A 24 8.510 2.946 -2.009 1.00 0.00 C ATOM 406 NE ARG A 24 8.974 3.222 -3.366 1.00 0.00 N ATOM 407 CZ ARG A 24 9.561 4.358 -3.725 1.00 0.00 C ATOM 408 NH1 ARG A 24 9.756 5.319 -2.832 1.00 0.00 N ATOM 409 NH2 ARG A 24 9.956 4.535 -4.979 1.00 0.00 N ATOM 0 H ARG A 24 8.647 -1.916 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 24 6.271 -0.559 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.685 0.220 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.773 0.521 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.719 2.026 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.939 1.865 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.092 3.855 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.358 2.658 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 24 8.840 2.503 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.455 5.187 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.207 6.190 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.809 3.798 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.407 5.408 -5.253 1.00 0.00 H new ATOM 423 N GLU A 25 7.284 -0.629 -4.847 1.00 0.00 N ATOM 424 CA GLU A 25 6.822 -0.503 -6.225 1.00 0.00 C ATOM 425 C GLU A 25 5.533 -1.290 -6.441 1.00 0.00 C ATOM 426 O GLU A 25 4.623 -0.832 -7.130 1.00 0.00 O ATOM 427 CB GLU A 25 7.900 -0.993 -7.194 1.00 0.00 C ATOM 428 CG GLU A 25 8.468 -2.356 -6.834 1.00 0.00 C ATOM 429 CD GLU A 25 9.536 -2.818 -7.807 1.00 0.00 C ATOM 430 OE1 GLU A 25 10.555 -2.110 -7.948 1.00 0.00 O ATOM 431 OE2 GLU A 25 9.352 -3.886 -8.427 1.00 0.00 O ATOM 0 H GLU A 25 8.278 -0.836 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 25 6.621 0.551 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.480 -1.038 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.712 -0.266 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.889 -2.316 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.661 -3.088 -6.812 1.00 0.00 H new ATOM 438 N GLU A 26 5.465 -2.478 -5.847 1.00 0.00 N ATOM 439 CA GLU A 26 4.288 -3.329 -5.976 1.00 0.00 C ATOM 440 C GLU A 26 3.082 -2.699 -5.285 1.00 0.00 C ATOM 441 O GLU A 26 1.995 -2.621 -5.858 1.00 0.00 O ATOM 442 CB GLU A 26 4.564 -4.712 -5.382 1.00 0.00 C ATOM 443 CG GLU A 26 5.671 -5.471 -6.096 1.00 0.00 C ATOM 444 CD GLU A 26 5.450 -5.553 -7.594 1.00 0.00 C ATOM 445 OE1 GLU A 26 4.345 -5.961 -8.010 1.00 0.00 O ATOM 446 OE2 GLU A 26 6.382 -5.207 -8.350 1.00 0.00 O ATOM 0 H GLU A 26 6.210 -2.872 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 26 4.063 -3.435 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.831 -4.600 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.649 -5.303 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.626 -4.983 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.738 -6.479 -5.687 1.00 0.00 H new ATOM 453 N LEU A 27 3.283 -2.250 -4.051 1.00 0.00 N ATOM 454 CA LEU A 27 2.212 -1.626 -3.280 1.00 0.00 C ATOM 455 C LEU A 27 1.651 -0.411 -4.012 1.00 0.00 C ATOM 456 O LEU A 27 0.436 -0.245 -4.121 1.00 0.00 O ATOM 457 CB LEU A 27 2.725 -1.213 -1.900 1.00 0.00 C ATOM 458 CG LEU A 27 3.356 -2.322 -1.058 1.00 0.00 C ATOM 459 CD1 LEU A 27 4.033 -1.739 0.173 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.307 -3.349 -0.656 1.00 0.00 C ATOM 0 H LEU A 27 4.177 -2.306 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 27 1.411 -2.356 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.462 -0.420 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.894 -0.786 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 27 4.114 -2.823 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.476 -2.544 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.813 -1.043 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.296 -1.212 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.774 -4.131 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.526 -2.862 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.868 -3.791 -1.551 1.00 0.00 H new ATOM 472 N VAL A 28 2.544 0.435 -4.515 1.00 0.00 N ATOM 473 CA VAL A 28 2.139 1.633 -5.240 1.00 0.00 C ATOM 474 C VAL A 28 1.364 1.275 -6.503 1.00 0.00 C ATOM 475 O VAL A 28 0.258 1.766 -6.724 1.00 0.00 O ATOM 476 CB VAL A 28 3.356 2.495 -5.624 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.905 3.839 -6.176 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.275 2.682 -4.427 1.00 0.00 C ATOM 0 H VAL A 28 3.553 0.313 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 28 1.495 2.205 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 28 3.915 1.978 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.778 4.435 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.290 3.681 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.323 4.366 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.130 3.293 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.730 3.177 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.625 1.709 -4.082 1.00 0.00 H new ATOM 488 N GLU A 29 1.953 0.416 -7.329 1.00 0.00 N ATOM 489 CA GLU A 29 1.318 -0.007 -8.571 1.00 0.00 C ATOM 490 C GLU A 29 -0.062 -0.602 -8.301 1.00 0.00 C ATOM 491 O GLU A 29 -1.021 -0.325 -9.022 1.00 0.00 O ATOM 492 CB GLU A 29 2.194 -1.032 -9.295 1.00 0.00 C ATOM 493 CG GLU A 29 1.569 -1.575 -10.569 1.00 0.00 C ATOM 494 CD GLU A 29 2.156 -2.910 -10.984 1.00 0.00 C ATOM 495 OE1 GLU A 29 3.263 -2.916 -11.562 1.00 0.00 O ATOM 496 OE2 GLU A 29 1.510 -3.947 -10.731 1.00 0.00 O ATOM 0 H GLU A 29 2.869 -0.000 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 29 1.199 0.871 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.152 -0.572 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.401 -1.862 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.494 -1.684 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.710 -0.854 -11.374 1.00 0.00 H new ATOM 503 N ARG A 30 -0.153 -1.421 -7.259 1.00 0.00 N ATOM 504 CA ARG A 30 -1.413 -2.057 -6.894 1.00 0.00 C ATOM 505 C ARG A 30 -2.494 -1.012 -6.636 1.00 0.00 C ATOM 506 O ARG A 30 -3.547 -1.021 -7.275 1.00 0.00 O ATOM 507 CB ARG A 30 -1.227 -2.931 -5.653 1.00 0.00 C ATOM 508 CG ARG A 30 -2.458 -3.748 -5.294 1.00 0.00 C ATOM 509 CD ARG A 30 -2.101 -4.936 -4.414 1.00 0.00 C ATOM 510 NE ARG A 30 -1.654 -6.083 -5.199 1.00 0.00 N ATOM 511 CZ ARG A 30 -2.469 -6.838 -5.928 1.00 0.00 C ATOM 512 NH1 ARG A 30 -3.766 -6.567 -5.971 1.00 0.00 N ATOM 513 NH2 ARG A 30 -1.987 -7.865 -6.615 1.00 0.00 N ATOM 0 H ARG A 30 0.631 -1.660 -6.652 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.729 -2.684 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.388 -3.607 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.964 -2.296 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.179 -3.114 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.940 -4.101 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.316 -4.647 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.969 -5.220 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.661 -6.318 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.140 -5.778 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.390 -7.148 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.990 -8.076 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.614 -8.444 -7.174 1.00 0.00 H new ATOM 527 N LEU A 31 -2.228 -0.112 -5.696 1.00 0.00 N ATOM 528 CA LEU A 31 -3.178 0.941 -5.352 1.00 0.00 C ATOM 529 C LEU A 31 -3.590 1.728 -6.592 1.00 0.00 C ATOM 530 O LEU A 31 -4.743 2.136 -6.724 1.00 0.00 O ATOM 531 CB LEU A 31 -2.570 1.884 -4.313 1.00 0.00 C ATOM 532 CG LEU A 31 -2.572 1.383 -2.869 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.546 2.140 -2.039 1.00 0.00 C ATOM 534 CD2 LEU A 31 -3.959 1.520 -2.259 1.00 0.00 C ATOM 0 H LEU A 31 -1.362 -0.090 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.067 0.472 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.540 2.095 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.111 2.829 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.300 0.328 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.562 1.769 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.553 1.991 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.787 3.203 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.942 1.159 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.260 2.568 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.671 0.932 -2.838 1.00 0.00 H new ATOM 546 N GLN A 32 -2.639 1.935 -7.498 1.00 0.00 N ATOM 547 CA GLN A 32 -2.905 2.673 -8.727 1.00 0.00 C ATOM 548 C GLN A 32 -3.880 1.911 -9.619 1.00 0.00 C ATOM 549 O GLN A 32 -4.764 2.504 -10.237 1.00 0.00 O ATOM 550 CB GLN A 32 -1.600 2.932 -9.483 1.00 0.00 C ATOM 551 CG GLN A 32 -0.900 4.216 -9.066 1.00 0.00 C ATOM 552 CD GLN A 32 0.453 4.385 -9.728 1.00 0.00 C ATOM 553 OE1 GLN A 32 1.479 3.981 -9.180 1.00 0.00 O ATOM 554 NE2 GLN A 32 0.462 4.983 -10.913 1.00 0.00 N ATOM 0 H GLN A 32 -1.679 1.603 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.357 3.628 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.925 2.091 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.811 2.973 -10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.532 5.068 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.774 4.221 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.413 5.302 -11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.343 5.124 -11.407 1.00 0.00 H new ATOM 563 N SER A 33 -3.712 0.594 -9.682 1.00 0.00 N ATOM 564 CA SER A 33 -4.574 -0.248 -10.502 1.00 0.00 C ATOM 565 C SER A 33 -6.023 -0.165 -10.030 1.00 0.00 C ATOM 566 O SER A 33 -6.941 -0.002 -10.834 1.00 0.00 O ATOM 567 CB SER A 33 -4.095 -1.701 -10.458 1.00 0.00 C ATOM 568 OG SER A 33 -2.784 -1.821 -10.982 1.00 0.00 O ATOM 0 H SER A 33 -2.987 0.087 -9.175 1.00 0.00 H new ATOM 0 HA SER A 33 -4.523 0.114 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.114 -2.063 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.778 -2.330 -11.030 1.00 0.00 H new ATOM 0 HG SER A 33 -2.153 -1.355 -10.395 1.00 0.00 H new ATOM 574 N TYR A 34 -6.219 -0.277 -8.721 1.00 0.00 N ATOM 575 CA TYR A 34 -7.555 -0.216 -8.141 1.00 0.00 C ATOM 576 C TYR A 34 -8.206 1.137 -8.411 1.00 0.00 C ATOM 577 O TYR A 34 -9.262 1.218 -9.039 1.00 0.00 O ATOM 578 CB TYR A 34 -7.492 -0.472 -6.634 1.00 0.00 C ATOM 579 CG TYR A 34 -8.826 -0.327 -5.938 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.710 -1.396 -5.857 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.204 0.880 -5.363 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.930 -1.268 -5.223 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.422 1.017 -4.726 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.282 -0.059 -4.658 1.00 0.00 C ATOM 585 OH TYR A 34 -12.496 0.074 -4.026 1.00 0.00 O ATOM 0 H TYR A 34 -5.470 -0.410 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.162 -0.991 -8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.109 -1.478 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.781 0.222 -6.186 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.438 -2.344 -6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.534 1.726 -5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.605 -2.109 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.700 1.962 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.588 0.987 -3.683 1.00 0.00 H new ATOM 595 N THR A 35 -7.567 2.200 -7.932 1.00 0.00 N ATOM 596 CA THR A 35 -8.082 3.550 -8.121 1.00 0.00 C ATOM 597 C THR A 35 -8.539 3.768 -9.558 1.00 0.00 C ATOM 598 O THR A 35 -9.620 4.306 -9.801 1.00 0.00 O ATOM 599 CB THR A 35 -7.022 4.610 -7.765 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.499 4.359 -6.456 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.617 6.009 -7.819 1.00 0.00 C ATOM 0 H THR A 35 -6.692 2.152 -7.410 1.00 0.00 H new ATOM 0 HA THR A 35 -8.935 3.660 -7.451 1.00 0.00 H new ATOM 0 HB THR A 35 -6.216 4.546 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.825 3.649 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.850 6.741 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.988 6.208 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.439 6.082 -7.107 1.00 0.00 H new ATOM 609 N ARG A 36 -7.711 3.347 -10.509 1.00 0.00 N ATOM 610 CA ARG A 36 -8.031 3.498 -11.923 1.00 0.00 C ATOM 611 C ARG A 36 -9.233 2.638 -12.303 1.00 0.00 C ATOM 612 O ARG A 36 -10.210 3.133 -12.864 1.00 0.00 O ATOM 613 CB ARG A 36 -6.826 3.116 -12.784 1.00 0.00 C ATOM 614 CG ARG A 36 -6.906 3.637 -14.210 1.00 0.00 C ATOM 615 CD ARG A 36 -5.932 2.911 -15.124 1.00 0.00 C ATOM 616 NE ARG A 36 -6.153 3.239 -16.530 1.00 0.00 N ATOM 617 CZ ARG A 36 -5.250 3.035 -17.483 1.00 0.00 C ATOM 618 NH1 ARG A 36 -4.073 2.505 -17.182 1.00 0.00 N ATOM 619 NH2 ARG A 36 -5.525 3.360 -18.739 1.00 0.00 N ATOM 0 H ARG A 36 -6.813 2.899 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.282 4.543 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.920 3.500 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.737 2.030 -12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.921 3.514 -14.587 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.689 4.705 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.911 3.173 -14.847 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.035 1.835 -14.982 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.050 3.647 -16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.859 2.253 -16.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.381 2.349 -17.915 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.430 3.767 -18.974 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.831 3.203 -19.470 1.00 0.00 H new ATOM 633 N GLN A 37 -9.153 1.348 -11.992 1.00 0.00 N ATOM 634 CA GLN A 37 -10.234 0.419 -12.302 1.00 0.00 C ATOM 635 C GLN A 37 -11.551 0.895 -11.698 1.00 0.00 C ATOM 636 O GLN A 37 -12.494 1.225 -12.417 1.00 0.00 O ATOM 637 CB GLN A 37 -9.897 -0.980 -11.784 1.00 0.00 C ATOM 638 CG GLN A 37 -8.827 -1.689 -12.598 1.00 0.00 C ATOM 639 CD GLN A 37 -8.653 -3.140 -12.194 1.00 0.00 C ATOM 640 OE1 GLN A 37 -9.331 -3.631 -11.291 1.00 0.00 O ATOM 641 NE2 GLN A 37 -7.742 -3.836 -12.864 1.00 0.00 N ATOM 0 H GLN A 37 -8.352 0.923 -11.526 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.346 0.380 -13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.564 -0.905 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.803 -1.586 -11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.087 -1.639 -13.655 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.878 -1.166 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.202 -3.389 -13.605 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.582 -4.818 -12.637 1.00 0.00 H new ATOM 650 N THR A 38 -11.609 0.929 -10.370 1.00 0.00 N ATOM 651 CA THR A 38 -12.810 1.363 -9.668 1.00 0.00 C ATOM 652 C THR A 38 -13.080 2.845 -9.904 1.00 0.00 C ATOM 653 O THR A 38 -14.229 3.263 -10.040 1.00 0.00 O ATOM 654 CB THR A 38 -12.699 1.108 -8.153 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.571 1.810 -7.620 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.560 -0.379 -7.863 1.00 0.00 C ATOM 0 H THR A 38 -10.837 0.661 -9.759 1.00 0.00 H new ATOM 0 HA THR A 38 -13.638 0.777 -10.068 1.00 0.00 H new ATOM 0 HB THR A 38 -13.610 1.471 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.755 1.511 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.483 -0.534 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.434 -0.907 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.663 -0.762 -8.350 1.00 0.00 H new ATOM 664 N GLY A 39 -12.012 3.635 -9.952 1.00 0.00 N ATOM 665 CA GLY A 39 -12.155 5.063 -10.172 1.00 0.00 C ATOM 666 C GLY A 39 -12.179 5.850 -8.877 1.00 0.00 C ATOM 667 O GLY A 39 -11.923 7.054 -8.870 1.00 0.00 O ATOM 0 H GLY A 39 -11.051 3.312 -9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.331 5.416 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.075 5.252 -10.725 1.00 0.00 H new ATOM 671 N ILE A 40 -12.489 5.169 -7.778 1.00 0.00 N ATOM 672 CA ILE A 40 -12.546 5.813 -6.472 1.00 0.00 C ATOM 673 C ILE A 40 -11.168 6.304 -6.041 1.00 0.00 C ATOM 674 O ILE A 40 -10.199 5.544 -6.037 1.00 0.00 O ATOM 675 CB ILE A 40 -13.098 4.858 -5.397 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.501 4.382 -5.779 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.117 5.543 -4.039 1.00 0.00 C ATOM 678 CD1 ILE A 40 -14.970 3.184 -4.982 1.00 0.00 C ATOM 0 H ILE A 40 -12.704 4.172 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.219 6.665 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.444 3.988 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.205 5.202 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.515 4.131 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.510 4.855 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.104 5.837 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.751 6.428 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.972 2.901 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.287 2.350 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.989 3.437 -3.922 1.00 0.00 H new ATOM 690 N VAL A 41 -11.088 7.580 -5.675 1.00 0.00 N ATOM 691 CA VAL A 41 -9.830 8.172 -5.238 1.00 0.00 C ATOM 692 C VAL A 41 -9.543 7.839 -3.779 1.00 0.00 C ATOM 693 O VAL A 41 -10.439 7.873 -2.935 1.00 0.00 O ATOM 694 CB VAL A 41 -9.840 9.703 -5.412 1.00 0.00 C ATOM 695 CG1 VAL A 41 -8.514 10.300 -4.966 1.00 0.00 C ATOM 696 CG2 VAL A 41 -10.142 10.073 -6.856 1.00 0.00 C ATOM 0 H VAL A 41 -11.880 8.223 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.046 7.747 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.627 10.118 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.540 11.382 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.344 10.065 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.706 9.882 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.145 11.158 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.379 9.648 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -11.119 9.679 -7.136 1.00 0.00 H new ATOM 706 N LEU A 42 -8.287 7.518 -3.487 1.00 0.00 N ATOM 707 CA LEU A 42 -7.880 7.179 -2.128 1.00 0.00 C ATOM 708 C LEU A 42 -7.054 8.303 -1.510 1.00 0.00 C ATOM 709 O LEU A 42 -5.869 8.448 -1.804 1.00 0.00 O ATOM 710 CB LEU A 42 -7.075 5.878 -2.125 1.00 0.00 C ATOM 711 CG LEU A 42 -7.802 4.638 -2.645 1.00 0.00 C ATOM 712 CD1 LEU A 42 -6.832 3.477 -2.802 1.00 0.00 C ATOM 713 CD2 LEU A 42 -8.945 4.258 -1.714 1.00 0.00 C ATOM 0 H LEU A 42 -7.533 7.485 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.780 7.043 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.178 6.028 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.746 5.680 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.220 4.871 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.367 2.603 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.049 3.750 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.383 3.245 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.451 3.373 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.550 4.045 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.654 5.083 -1.653 1.00 0.00 H new ATOM 725 N ASN A 43 -7.689 9.093 -0.650 1.00 0.00 N ATOM 726 CA ASN A 43 -7.013 10.203 0.010 1.00 0.00 C ATOM 727 C ASN A 43 -6.227 9.716 1.225 1.00 0.00 C ATOM 728 O ASN A 43 -6.614 8.748 1.879 1.00 0.00 O ATOM 729 CB ASN A 43 -8.028 11.265 0.438 1.00 0.00 C ATOM 730 CG ASN A 43 -7.371 12.455 1.110 1.00 0.00 C ATOM 731 OD1 ASN A 43 -6.696 12.312 2.130 1.00 0.00 O ATOM 732 ND2 ASN A 43 -7.568 13.639 0.541 1.00 0.00 N ATOM 0 H ASN A 43 -8.670 8.985 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.314 10.644 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.584 11.606 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.751 10.819 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.152 14.476 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.135 13.711 -0.304 1.00 0.00 H new ATOM 739 N ARG A 44 -5.123 10.395 1.519 1.00 0.00 N ATOM 740 CA ARG A 44 -4.283 10.031 2.654 1.00 0.00 C ATOM 741 C ARG A 44 -5.029 10.236 3.970 1.00 0.00 C ATOM 742 O ARG A 44 -5.859 11.134 4.108 1.00 0.00 O ATOM 743 CB ARG A 44 -2.997 10.860 2.650 1.00 0.00 C ATOM 744 CG ARG A 44 -1.904 10.282 1.766 1.00 0.00 C ATOM 745 CD ARG A 44 -0.921 11.355 1.323 1.00 0.00 C ATOM 746 NE ARG A 44 -1.542 12.331 0.432 1.00 0.00 N ATOM 747 CZ ARG A 44 -1.092 13.571 0.272 1.00 0.00 C ATOM 748 NH1 ARG A 44 -0.023 13.982 0.940 1.00 0.00 N ATOM 749 NH2 ARG A 44 -1.711 14.401 -0.557 1.00 0.00 N ATOM 0 H ARG A 44 -4.790 11.199 0.988 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.027 8.975 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.227 11.871 2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.623 10.940 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.372 9.500 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.353 9.814 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.523 11.866 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.077 10.887 0.816 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.366 12.045 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.455 13.346 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.321 14.934 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.533 14.088 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.365 15.353 -0.679 1.00 0.00 H new ATOM 763 N PRO A 45 -4.726 9.383 4.960 1.00 0.00 N ATOM 764 CA PRO A 45 -5.356 9.450 6.282 1.00 0.00 C ATOM 765 C PRO A 45 -4.916 10.678 7.072 1.00 0.00 C ATOM 766 O PRO A 45 -5.583 11.088 8.023 1.00 0.00 O ATOM 767 CB PRO A 45 -4.874 8.171 6.970 1.00 0.00 C ATOM 768 CG PRO A 45 -3.591 7.836 6.291 1.00 0.00 C ATOM 769 CD PRO A 45 -3.746 8.289 4.866 1.00 0.00 C ATOM 0 HA PRO A 45 -6.441 9.530 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.727 8.328 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.601 7.366 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.752 8.340 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.391 6.766 6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.800 8.632 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.104 7.483 4.225 1.00 0.00 H new ATOM 777 N SER A 46 -3.790 11.261 6.673 1.00 0.00 N ATOM 778 CA SER A 46 -3.259 12.440 7.347 1.00 0.00 C ATOM 779 C SER A 46 -4.298 13.557 7.386 1.00 0.00 C ATOM 780 O SER A 46 -4.845 13.875 8.441 1.00 0.00 O ATOM 781 CB SER A 46 -1.993 12.930 6.642 1.00 0.00 C ATOM 782 OG SER A 46 -1.254 13.808 7.472 1.00 0.00 O ATOM 0 H SER A 46 -3.228 10.936 5.886 1.00 0.00 H new ATOM 0 HA SER A 46 -3.011 12.162 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.373 12.077 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.262 13.440 5.717 1.00 0.00 H new ATOM 0 HG SER A 46 -0.449 14.105 6.999 1.00 0.00 H new ATOM 788 N GLY A 47 -4.564 14.149 6.225 1.00 0.00 N ATOM 789 CA GLY A 47 -5.536 15.224 6.147 1.00 0.00 C ATOM 790 C GLY A 47 -4.997 16.441 5.421 1.00 0.00 C ATOM 791 O GLY A 47 -4.564 17.416 6.035 1.00 0.00 O ATOM 0 H GLY A 47 -4.124 13.903 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.429 14.866 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.839 15.510 7.154 1.00 0.00 H new ATOM 795 N PRO A 48 -5.020 16.393 4.081 1.00 0.00 N ATOM 796 CA PRO A 48 -4.532 17.491 3.241 1.00 0.00 C ATOM 797 C PRO A 48 -5.435 18.718 3.309 1.00 0.00 C ATOM 798 O PRO A 48 -6.659 18.605 3.233 1.00 0.00 O ATOM 799 CB PRO A 48 -4.548 16.893 1.832 1.00 0.00 C ATOM 800 CG PRO A 48 -5.579 15.820 1.887 1.00 0.00 C ATOM 801 CD PRO A 48 -5.523 15.263 3.282 1.00 0.00 C ATOM 0 HA PRO A 48 -3.550 17.843 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.800 17.646 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.572 16.490 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.569 16.218 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.375 15.045 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.505 14.935 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.860 14.400 3.344 1.00 0.00 H new ATOM 809 N SER A 49 -4.824 19.889 3.453 1.00 0.00 N ATOM 810 CA SER A 49 -5.574 21.137 3.535 1.00 0.00 C ATOM 811 C SER A 49 -6.524 21.279 2.350 1.00 0.00 C ATOM 812 O SER A 49 -6.559 20.427 1.462 1.00 0.00 O ATOM 813 CB SER A 49 -4.616 22.330 3.580 1.00 0.00 C ATOM 814 OG SER A 49 -3.722 22.225 4.674 1.00 0.00 O ATOM 0 H SER A 49 -3.812 20.000 3.515 1.00 0.00 H new ATOM 0 HA SER A 49 -6.164 21.118 4.451 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.052 22.383 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.186 23.256 3.660 1.00 0.00 H new ATOM 0 HG SER A 49 -3.120 22.998 4.680 1.00 0.00 H new ATOM 820 N SER A 50 -7.295 22.362 2.343 1.00 0.00 N ATOM 821 CA SER A 50 -8.249 22.615 1.270 1.00 0.00 C ATOM 822 C SER A 50 -7.529 22.839 -0.056 1.00 0.00 C ATOM 823 O SER A 50 -7.961 22.353 -1.100 1.00 0.00 O ATOM 824 CB SER A 50 -9.115 23.831 1.606 1.00 0.00 C ATOM 825 OG SER A 50 -8.322 24.994 1.765 1.00 0.00 O ATOM 0 H SER A 50 -7.277 23.078 3.069 1.00 0.00 H new ATOM 0 HA SER A 50 -8.889 21.738 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.846 23.991 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.675 23.641 2.522 1.00 0.00 H new ATOM 0 HG SER A 50 -8.899 25.757 1.977 1.00 0.00 H new ATOM 831 N GLY A 51 -6.427 23.581 -0.005 1.00 0.00 N ATOM 832 CA GLY A 51 -5.663 23.858 -1.208 1.00 0.00 C ATOM 833 C GLY A 51 -6.015 25.199 -1.822 1.00 0.00 C ATOM 834 O GLY A 51 -5.208 26.128 -1.804 1.00 0.00 O ATOM 0 H GLY A 51 -6.050 23.995 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.599 23.838 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.842 23.069 -1.938 1.00 0.00 H new TER 838 GLY A 51