USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 TYR OH : rot -139:sc= 1.22 USER MOD Set 1.2: A 35 THR OG1 : rot 79:sc= 1.39 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.149 F(o=-1.1,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.663 K(o=-0.66,f=-3.7!) USER MOD Single : A 32 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.2!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.0876 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.54 K(o=-2.5,f=-4.1!) USER MOD Single : A 38 THR OG1 : rot -65:sc= 0.942 USER MOD Single : A 43 ASN : amide:sc= 0.149 K(o=0.15,f=-2.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 40:sc= 0.885 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -8.808 22.866 -3.706 1.00 0.00 N ATOM 2 CA GLY A -6 -7.982 22.563 -4.860 1.00 0.00 C ATOM 3 C GLY A -6 -6.532 22.953 -4.654 1.00 0.00 C ATOM 4 O GLY A -6 -6.166 24.117 -4.813 1.00 0.00 O ATOM 0 H1 GLY A -6 -9.790 22.581 -3.897 1.00 0.00 H new ATOM 0 H2 GLY A -6 -8.452 22.347 -2.878 1.00 0.00 H new ATOM 0 H3 GLY A -6 -8.776 23.888 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -8.041 21.496 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -8.375 23.086 -5.732 1.00 0.00 H new ATOM 8 N SER A -5 -5.703 21.976 -4.296 1.00 0.00 N ATOM 9 CA SER A -5 -4.286 22.224 -4.062 1.00 0.00 C ATOM 10 C SER A -5 -3.425 21.230 -4.836 1.00 0.00 C ATOM 11 O SER A -5 -3.773 20.056 -4.958 1.00 0.00 O ATOM 12 CB SER A -5 -3.971 22.134 -2.568 1.00 0.00 C ATOM 13 OG SER A -5 -4.374 23.311 -1.890 1.00 0.00 O ATOM 0 H SER A -5 -5.989 21.006 -4.162 1.00 0.00 H new ATOM 0 HA SER A -5 -4.055 23.229 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A -5 -4.479 21.271 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A -5 -2.901 21.978 -2.427 1.00 0.00 H new ATOM 0 HG SER A -5 -4.163 23.228 -0.937 1.00 0.00 H new ATOM 19 N SER A -4 -2.300 21.710 -5.356 1.00 0.00 N ATOM 20 CA SER A -4 -1.390 20.865 -6.121 1.00 0.00 C ATOM 21 C SER A -4 -0.497 20.049 -5.193 1.00 0.00 C ATOM 22 O SER A -4 0.002 20.555 -4.189 1.00 0.00 O ATOM 23 CB SER A -4 -0.530 21.720 -7.054 1.00 0.00 C ATOM 24 OG SER A -4 0.480 22.403 -6.333 1.00 0.00 O ATOM 0 H SER A -4 -1.997 22.679 -5.262 1.00 0.00 H new ATOM 0 HA SER A -4 -1.988 20.177 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A -4 -0.073 21.087 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A -4 -1.160 22.441 -7.575 1.00 0.00 H new ATOM 0 HG SER A -4 1.017 22.941 -6.952 1.00 0.00 H new ATOM 30 N GLY A -3 -0.299 18.780 -5.537 1.00 0.00 N ATOM 31 CA GLY A -3 0.534 17.912 -4.725 1.00 0.00 C ATOM 32 C GLY A -3 1.324 16.922 -5.557 1.00 0.00 C ATOM 33 O GLY A -3 2.073 17.311 -6.453 1.00 0.00 O ATOM 0 H GLY A -3 -0.701 18.338 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.223 18.520 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -0.093 17.369 -4.018 1.00 0.00 H new ATOM 37 N SER A -2 1.158 15.637 -5.261 1.00 0.00 N ATOM 38 CA SER A -2 1.866 14.587 -5.985 1.00 0.00 C ATOM 39 C SER A -2 0.939 13.893 -6.979 1.00 0.00 C ATOM 40 O SER A -2 -0.262 14.160 -7.015 1.00 0.00 O ATOM 41 CB SER A -2 2.442 13.562 -5.006 1.00 0.00 C ATOM 42 OG SER A -2 1.421 12.737 -4.472 1.00 0.00 O ATOM 0 H SER A -2 0.539 15.298 -4.525 1.00 0.00 H new ATOM 0 HA SER A -2 2.684 15.049 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A -2 3.183 12.945 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A -2 2.958 14.078 -4.196 1.00 0.00 H new ATOM 0 HG SER A -2 1.815 12.090 -3.851 1.00 0.00 H new ATOM 48 N SER A -1 1.507 13.001 -7.784 1.00 0.00 N ATOM 49 CA SER A -1 0.734 12.270 -8.781 1.00 0.00 C ATOM 50 C SER A -1 0.634 10.793 -8.415 1.00 0.00 C ATOM 51 O SER A -1 -0.459 10.229 -8.355 1.00 0.00 O ATOM 52 CB SER A -1 1.372 12.423 -10.163 1.00 0.00 C ATOM 53 OG SER A -1 0.982 13.641 -10.773 1.00 0.00 O ATOM 0 H SER A -1 2.500 12.767 -7.765 1.00 0.00 H new ATOM 0 HA SER A -1 -0.272 12.689 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.458 12.390 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.080 11.586 -10.797 1.00 0.00 H new ATOM 0 HG SER A -1 1.404 13.716 -11.654 1.00 0.00 H new ATOM 59 N GLY A 0 1.783 10.170 -8.172 1.00 0.00 N ATOM 60 CA GLY A 0 1.804 8.764 -7.815 1.00 0.00 C ATOM 61 C GLY A 0 1.750 8.545 -6.316 1.00 0.00 C ATOM 62 O GLY A 0 1.858 9.494 -5.539 1.00 0.00 O ATOM 0 H GLY A 0 2.700 10.614 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.958 8.261 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 0 2.708 8.305 -8.214 1.00 0.00 H new ATOM 66 N TYR A 1 1.581 7.292 -5.909 1.00 0.00 N ATOM 67 CA TYR A 1 1.509 6.952 -4.492 1.00 0.00 C ATOM 68 C TYR A 1 2.889 6.600 -3.946 1.00 0.00 C ATOM 69 O TYR A 1 3.044 5.637 -3.195 1.00 0.00 O ATOM 70 CB TYR A 1 0.548 5.782 -4.276 1.00 0.00 C ATOM 71 CG TYR A 1 -0.883 6.096 -4.650 1.00 0.00 C ATOM 72 CD1 TYR A 1 -1.755 6.661 -3.728 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.363 5.829 -5.926 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.063 6.949 -4.065 1.00 0.00 C ATOM 75 CE2 TYR A 1 -2.669 6.114 -6.273 1.00 0.00 C ATOM 76 CZ TYR A 1 -3.516 6.674 -5.339 1.00 0.00 C ATOM 77 OH TYR A 1 -4.818 6.961 -5.680 1.00 0.00 O ATOM 0 H TYR A 1 1.491 6.495 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 1 1.137 7.823 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.889 4.929 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.583 5.482 -3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.404 6.879 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -0.703 5.391 -6.660 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.728 7.387 -3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.025 5.900 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.184 6.229 -6.220 1.00 0.00 H new ATOM 87 N GLY A 2 3.889 7.388 -4.328 1.00 0.00 N ATOM 88 CA GLY A 2 5.243 7.144 -3.868 1.00 0.00 C ATOM 89 C GLY A 2 5.516 7.768 -2.513 1.00 0.00 C ATOM 90 O GLY A 2 6.040 7.111 -1.614 1.00 0.00 O ATOM 0 H GLY A 2 3.785 8.191 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.416 6.069 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.949 7.543 -4.597 1.00 0.00 H new ATOM 94 N ALA A 3 5.161 9.040 -2.367 1.00 0.00 N ATOM 95 CA ALA A 3 5.371 9.753 -1.113 1.00 0.00 C ATOM 96 C ALA A 3 4.844 8.947 0.070 1.00 0.00 C ATOM 97 O ALA A 3 5.475 8.894 1.126 1.00 0.00 O ATOM 98 CB ALA A 3 4.702 11.118 -1.164 1.00 0.00 C ATOM 0 H ALA A 3 4.726 9.598 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 3 6.444 9.892 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.867 11.639 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.127 11.701 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.632 10.993 -1.327 1.00 0.00 H new ATOM 104 N TRP A 4 3.687 8.323 -0.114 1.00 0.00 N ATOM 105 CA TRP A 4 3.076 7.521 0.940 1.00 0.00 C ATOM 106 C TRP A 4 4.104 6.601 1.590 1.00 0.00 C ATOM 107 O TRP A 4 4.961 6.035 0.911 1.00 0.00 O ATOM 108 CB TRP A 4 1.920 6.694 0.374 1.00 0.00 C ATOM 109 CG TRP A 4 0.748 7.526 -0.051 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.769 8.836 -0.436 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.618 7.104 -0.131 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.502 9.254 -0.752 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.370 8.210 -0.574 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.279 5.899 0.125 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.748 8.144 -0.763 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.646 5.836 -0.063 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.369 6.953 -0.504 1.00 0.00 C ATOM 0 H TRP A 4 3.153 8.356 -0.982 1.00 0.00 H new ATOM 0 HA TRP A 4 2.691 8.199 1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.278 6.119 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.593 5.976 1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.654 9.453 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -0.757 10.190 -1.068 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.730 5.033 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.307 9.003 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.167 4.910 0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.437 6.872 -0.642 1.00 0.00 H new ATOM 128 N ALA A 5 4.013 6.456 2.907 1.00 0.00 N ATOM 129 CA ALA A 5 4.935 5.603 3.648 1.00 0.00 C ATOM 130 C ALA A 5 4.476 4.149 3.624 1.00 0.00 C ATOM 131 O ALA A 5 3.283 3.863 3.720 1.00 0.00 O ATOM 132 CB ALA A 5 5.071 6.093 5.082 1.00 0.00 C ATOM 0 H ALA A 5 3.310 6.918 3.484 1.00 0.00 H new ATOM 0 HA ALA A 5 5.910 5.657 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.762 5.447 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.452 7.114 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.096 6.070 5.569 1.00 0.00 H new ATOM 138 N ALA A 6 5.431 3.234 3.495 1.00 0.00 N ATOM 139 CA ALA A 6 5.125 1.810 3.461 1.00 0.00 C ATOM 140 C ALA A 6 3.936 1.482 4.357 1.00 0.00 C ATOM 141 O ALA A 6 3.044 0.727 3.968 1.00 0.00 O ATOM 142 CB ALA A 6 6.342 0.998 3.878 1.00 0.00 C ATOM 0 H ALA A 6 6.424 3.454 3.412 1.00 0.00 H new ATOM 0 HA ALA A 6 4.859 1.546 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.099 -0.064 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.166 1.201 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.634 1.275 4.891 1.00 0.00 H new ATOM 148 N GLN A 7 3.930 2.053 5.557 1.00 0.00 N ATOM 149 CA GLN A 7 2.849 1.820 6.508 1.00 0.00 C ATOM 150 C GLN A 7 1.516 2.300 5.946 1.00 0.00 C ATOM 151 O GLN A 7 0.522 1.575 5.977 1.00 0.00 O ATOM 152 CB GLN A 7 3.144 2.529 7.831 1.00 0.00 C ATOM 153 CG GLN A 7 2.433 1.911 9.024 1.00 0.00 C ATOM 154 CD GLN A 7 2.825 2.560 10.337 1.00 0.00 C ATOM 155 OE1 GLN A 7 3.487 1.945 11.173 1.00 0.00 O ATOM 156 NE2 GLN A 7 2.417 3.810 10.525 1.00 0.00 N ATOM 0 H GLN A 7 4.661 2.680 5.894 1.00 0.00 H new ATOM 0 HA GLN A 7 2.781 0.747 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.219 2.512 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.851 3.575 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.355 2.000 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.662 0.846 9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.870 4.282 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.651 4.298 11.390 1.00 0.00 H new ATOM 165 N GLU A 8 1.502 3.527 5.433 1.00 0.00 N ATOM 166 CA GLU A 8 0.289 4.103 4.866 1.00 0.00 C ATOM 167 C GLU A 8 -0.281 3.204 3.773 1.00 0.00 C ATOM 168 O GLU A 8 -1.433 2.775 3.845 1.00 0.00 O ATOM 169 CB GLU A 8 0.577 5.495 4.297 1.00 0.00 C ATOM 170 CG GLU A 8 1.018 6.501 5.347 1.00 0.00 C ATOM 171 CD GLU A 8 0.939 7.932 4.851 1.00 0.00 C ATOM 172 OE1 GLU A 8 1.139 8.151 3.638 1.00 0.00 O ATOM 173 OE2 GLU A 8 0.678 8.833 5.676 1.00 0.00 O ATOM 0 H GLU A 8 2.316 4.140 5.399 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.449 4.189 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.352 5.414 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.319 5.869 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.394 6.393 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.042 6.281 5.649 1.00 0.00 H new ATOM 180 N LEU A 9 0.533 2.923 2.762 1.00 0.00 N ATOM 181 CA LEU A 9 0.111 2.074 1.653 1.00 0.00 C ATOM 182 C LEU A 9 -0.466 0.758 2.163 1.00 0.00 C ATOM 183 O LEU A 9 -1.563 0.358 1.774 1.00 0.00 O ATOM 184 CB LEU A 9 1.290 1.800 0.717 1.00 0.00 C ATOM 185 CG LEU A 9 1.928 3.026 0.064 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.330 2.700 -0.428 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.063 3.531 -1.082 1.00 0.00 C ATOM 0 H LEU A 9 1.489 3.270 2.687 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.668 2.600 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.059 1.271 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.953 1.127 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 9 2.002 3.815 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.768 3.585 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.947 2.387 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.280 1.895 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.533 4.404 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.957 2.746 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.079 3.805 -0.702 1.00 0.00 H new ATOM 199 N GLN A 10 0.280 0.090 3.037 1.00 0.00 N ATOM 200 CA GLN A 10 -0.158 -1.181 3.601 1.00 0.00 C ATOM 201 C GLN A 10 -1.539 -1.048 4.234 1.00 0.00 C ATOM 202 O GLN A 10 -2.475 -1.755 3.860 1.00 0.00 O ATOM 203 CB GLN A 10 0.848 -1.675 4.642 1.00 0.00 C ATOM 204 CG GLN A 10 2.113 -2.259 4.036 1.00 0.00 C ATOM 205 CD GLN A 10 3.142 -2.637 5.084 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.273 -3.932 5.346 1.00 0.00 O flip ATOM 207 NE2 GLN A 10 3.811 -1.774 5.653 1.00 0.00 N flip ATOM 0 H GLN A 10 1.190 0.408 3.370 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.218 -1.908 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.118 -0.846 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.371 -2.431 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.857 -3.141 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.550 -1.535 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.678 -0.790 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.499 -2.043 6.357 1.00 0.00 H new ATOM 216 N ALA A 11 -1.659 -0.137 5.194 1.00 0.00 N ATOM 217 CA ALA A 11 -2.926 0.090 5.878 1.00 0.00 C ATOM 218 C ALA A 11 -4.091 0.075 4.894 1.00 0.00 C ATOM 219 O ALA A 11 -5.024 -0.717 5.031 1.00 0.00 O ATOM 220 CB ALA A 11 -2.889 1.409 6.635 1.00 0.00 C ATOM 0 H ALA A 11 -0.894 0.456 5.516 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.076 -0.721 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.842 1.565 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.087 1.383 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.712 2.225 5.935 1.00 0.00 H new ATOM 226 N LYS A 12 -4.032 0.956 3.901 1.00 0.00 N ATOM 227 CA LYS A 12 -5.082 1.045 2.893 1.00 0.00 C ATOM 228 C LYS A 12 -5.384 -0.327 2.300 1.00 0.00 C ATOM 229 O LYS A 12 -6.468 -0.876 2.501 1.00 0.00 O ATOM 230 CB LYS A 12 -4.669 2.013 1.782 1.00 0.00 C ATOM 231 CG LYS A 12 -5.016 3.462 2.077 1.00 0.00 C ATOM 232 CD LYS A 12 -6.520 3.675 2.135 1.00 0.00 C ATOM 233 CE LYS A 12 -6.871 5.151 2.242 1.00 0.00 C ATOM 234 NZ LYS A 12 -8.341 5.366 2.337 1.00 0.00 N ATOM 0 H LYS A 12 -3.268 1.619 3.773 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.985 1.419 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.594 1.931 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.154 1.714 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.569 3.758 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.586 4.104 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.983 3.254 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.932 3.139 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.384 5.577 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.482 5.681 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.539 6.384 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.804 4.982 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.709 4.882 3.181 1.00 0.00 H new ATOM 248 N LEU A 13 -4.420 -0.876 1.570 1.00 0.00 N ATOM 249 CA LEU A 13 -4.582 -2.186 0.948 1.00 0.00 C ATOM 250 C LEU A 13 -5.308 -3.147 1.885 1.00 0.00 C ATOM 251 O LEU A 13 -6.426 -3.577 1.604 1.00 0.00 O ATOM 252 CB LEU A 13 -3.219 -2.763 0.564 1.00 0.00 C ATOM 253 CG LEU A 13 -2.368 -1.906 -0.374 1.00 0.00 C ATOM 254 CD1 LEU A 13 -1.046 -2.596 -0.676 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.124 -1.612 -1.661 1.00 0.00 C ATOM 0 H LEU A 13 -3.517 -0.435 1.394 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.183 -2.061 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.651 -2.940 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.377 -3.734 0.094 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.155 -0.960 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.454 -1.971 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.498 -2.754 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.238 -3.557 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.503 -1.001 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.368 -2.549 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.044 -1.075 -1.428 1.00 0.00 H new ATOM 267 N ALA A 14 -4.665 -3.477 3.000 1.00 0.00 N ATOM 268 CA ALA A 14 -5.250 -4.383 3.980 1.00 0.00 C ATOM 269 C ALA A 14 -6.681 -3.977 4.317 1.00 0.00 C ATOM 270 O ALA A 14 -7.560 -4.827 4.456 1.00 0.00 O ATOM 271 CB ALA A 14 -4.399 -4.418 5.241 1.00 0.00 C ATOM 0 H ALA A 14 -3.738 -3.130 3.247 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.276 -5.382 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.848 -5.099 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.395 -4.763 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.343 -3.418 5.670 1.00 0.00 H new ATOM 277 N GLU A 15 -6.907 -2.674 4.446 1.00 0.00 N ATOM 278 CA GLU A 15 -8.232 -2.157 4.768 1.00 0.00 C ATOM 279 C GLU A 15 -9.261 -2.618 3.739 1.00 0.00 C ATOM 280 O GLU A 15 -10.354 -3.060 4.094 1.00 0.00 O ATOM 281 CB GLU A 15 -8.207 -0.628 4.829 1.00 0.00 C ATOM 282 CG GLU A 15 -9.362 -0.031 5.614 1.00 0.00 C ATOM 283 CD GLU A 15 -10.714 -0.415 5.044 1.00 0.00 C ATOM 284 OE1 GLU A 15 -10.904 -0.267 3.819 1.00 0.00 O ATOM 285 OE2 GLU A 15 -11.582 -0.862 5.823 1.00 0.00 O ATOM 0 H GLU A 15 -6.190 -1.957 4.333 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.518 -2.548 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.268 -0.306 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.226 -0.232 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.302 -0.362 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.269 1.055 5.620 1.00 0.00 H new ATOM 292 N ILE A 16 -8.902 -2.512 2.464 1.00 0.00 N ATOM 293 CA ILE A 16 -9.793 -2.919 1.384 1.00 0.00 C ATOM 294 C ILE A 16 -9.726 -4.425 1.154 1.00 0.00 C ATOM 295 O ILE A 16 -10.252 -4.936 0.166 1.00 0.00 O ATOM 296 CB ILE A 16 -9.451 -2.194 0.069 1.00 0.00 C ATOM 297 CG1 ILE A 16 -7.993 -2.453 -0.317 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.711 -0.701 0.204 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.648 -1.993 -1.716 1.00 0.00 C ATOM 0 H ILE A 16 -8.001 -2.148 2.154 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.803 -2.645 1.688 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.092 -2.585 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.342 -1.946 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.787 -3.520 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.465 -0.203 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.762 -0.534 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.092 -0.295 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.599 -2.208 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.274 -2.519 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.821 -0.920 -1.799 1.00 0.00 H new ATOM 311 N GLY A 17 -9.076 -5.130 2.075 1.00 0.00 N ATOM 312 CA GLY A 17 -8.954 -6.572 1.955 1.00 0.00 C ATOM 313 C GLY A 17 -7.904 -6.982 0.941 1.00 0.00 C ATOM 314 O GLY A 17 -7.984 -8.062 0.357 1.00 0.00 O ATOM 0 H GLY A 17 -8.632 -4.729 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.700 -6.994 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.917 -6.992 1.666 1.00 0.00 H new ATOM 318 N ALA A 18 -6.917 -6.117 0.731 1.00 0.00 N ATOM 319 CA ALA A 18 -5.847 -6.395 -0.219 1.00 0.00 C ATOM 320 C ALA A 18 -4.593 -6.888 0.496 1.00 0.00 C ATOM 321 O ALA A 18 -4.290 -6.483 1.619 1.00 0.00 O ATOM 322 CB ALA A 18 -5.535 -5.154 -1.041 1.00 0.00 C ATOM 0 H ALA A 18 -6.836 -5.218 1.206 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.186 -7.185 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.734 -5.376 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.426 -4.847 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.221 -4.348 -0.378 1.00 0.00 H new ATOM 328 N PRO A 19 -3.845 -7.782 -0.167 1.00 0.00 N ATOM 329 CA PRO A 19 -2.612 -8.349 0.386 1.00 0.00 C ATOM 330 C PRO A 19 -1.487 -7.323 0.467 1.00 0.00 C ATOM 331 O PRO A 19 -1.156 -6.672 -0.525 1.00 0.00 O ATOM 332 CB PRO A 19 -2.254 -9.458 -0.606 1.00 0.00 C ATOM 333 CG PRO A 19 -2.886 -9.037 -1.888 1.00 0.00 C ATOM 334 CD PRO A 19 -4.146 -8.309 -1.509 1.00 0.00 C ATOM 0 HA PRO A 19 -2.749 -8.701 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.174 -9.561 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.635 -10.424 -0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.219 -8.391 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.108 -9.900 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.375 -7.509 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.007 -8.977 -1.495 1.00 0.00 H new ATOM 342 N ILE A 20 -0.904 -7.183 1.652 1.00 0.00 N ATOM 343 CA ILE A 20 0.185 -6.236 1.860 1.00 0.00 C ATOM 344 C ILE A 20 1.539 -6.890 1.602 1.00 0.00 C ATOM 345 O ILE A 20 2.512 -6.619 2.304 1.00 0.00 O ATOM 346 CB ILE A 20 0.168 -5.663 3.290 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.283 -6.792 4.316 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.101 -4.856 3.522 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.653 -6.313 5.702 1.00 0.00 C ATOM 0 H ILE A 20 -1.167 -7.713 2.483 1.00 0.00 H new ATOM 0 HA ILE A 20 0.036 -5.423 1.150 1.00 0.00 H new ATOM 0 HB ILE A 20 1.024 -4.999 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.667 -7.325 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.032 -7.507 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.098 -4.458 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.144 -4.033 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.971 -5.499 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.717 -7.166 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.617 -5.806 5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.108 -5.621 6.063 1.00 0.00 H new ATOM 361 N GLN A 21 1.591 -7.749 0.590 1.00 0.00 N ATOM 362 CA GLN A 21 2.826 -8.441 0.239 1.00 0.00 C ATOM 363 C GLN A 21 3.527 -7.746 -0.924 1.00 0.00 C ATOM 364 O GLN A 21 2.914 -6.973 -1.659 1.00 0.00 O ATOM 365 CB GLN A 21 2.535 -9.898 -0.122 1.00 0.00 C ATOM 366 CG GLN A 21 2.174 -10.761 1.076 1.00 0.00 C ATOM 367 CD GLN A 21 2.010 -12.224 0.713 1.00 0.00 C ATOM 368 OE1 GLN A 21 2.991 -12.930 0.476 1.00 0.00 O ATOM 369 NE2 GLN A 21 0.767 -12.688 0.669 1.00 0.00 N ATOM 0 H GLN A 21 0.793 -7.983 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 21 3.486 -8.415 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.717 -9.929 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.409 -10.323 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.949 -10.664 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.247 -10.394 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.017 -12.067 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.595 -13.665 0.432 1.00 0.00 H new ATOM 378 N GLY A 22 4.816 -8.028 -1.085 1.00 0.00 N ATOM 379 CA GLY A 22 5.579 -7.422 -2.161 1.00 0.00 C ATOM 380 C GLY A 22 6.312 -6.171 -1.718 1.00 0.00 C ATOM 381 O GLY A 22 6.141 -5.709 -0.591 1.00 0.00 O ATOM 0 H GLY A 22 5.346 -8.665 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.299 -8.145 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.908 -7.174 -2.984 1.00 0.00 H new ATOM 385 N ASN A 23 7.132 -5.621 -2.608 1.00 0.00 N ATOM 386 CA ASN A 23 7.896 -4.417 -2.303 1.00 0.00 C ATOM 387 C ASN A 23 7.072 -3.164 -2.586 1.00 0.00 C ATOM 388 O ASN A 23 5.951 -3.246 -3.088 1.00 0.00 O ATOM 389 CB ASN A 23 9.189 -4.387 -3.120 1.00 0.00 C ATOM 390 CG ASN A 23 10.046 -5.617 -2.892 1.00 0.00 C ATOM 391 OD1 ASN A 23 9.534 -6.732 -2.784 1.00 0.00 O ATOM 392 ND2 ASN A 23 11.357 -5.419 -2.817 1.00 0.00 N ATOM 0 H ASN A 23 7.284 -5.990 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 23 8.146 -4.434 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.944 -4.309 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.760 -3.496 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.984 -6.209 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.737 -4.477 -2.912 1.00 0.00 H new ATOM 399 N ARG A 24 7.637 -2.005 -2.262 1.00 0.00 N ATOM 400 CA ARG A 24 6.955 -0.735 -2.481 1.00 0.00 C ATOM 401 C ARG A 24 6.410 -0.649 -3.903 1.00 0.00 C ATOM 402 O ARG A 24 5.262 -0.262 -4.115 1.00 0.00 O ATOM 403 CB ARG A 24 7.909 0.431 -2.217 1.00 0.00 C ATOM 404 CG ARG A 24 7.275 1.796 -2.433 1.00 0.00 C ATOM 405 CD ARG A 24 8.113 2.904 -1.813 1.00 0.00 C ATOM 406 NE ARG A 24 8.129 2.826 -0.354 1.00 0.00 N ATOM 407 CZ ARG A 24 8.885 3.602 0.415 1.00 0.00 C ATOM 408 NH1 ARG A 24 9.682 4.509 -0.133 1.00 0.00 N ATOM 409 NH2 ARG A 24 8.844 3.471 1.734 1.00 0.00 N ATOM 0 H ARG A 24 8.565 -1.920 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 24 6.118 -0.675 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.273 0.367 -1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.776 0.335 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.160 1.980 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.276 1.807 -1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.134 2.841 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.718 3.872 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 24 7.527 2.138 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.716 4.612 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.261 5.104 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.232 2.774 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.425 4.067 2.324 1.00 0.00 H new ATOM 423 N GLU A 25 7.243 -1.012 -4.874 1.00 0.00 N ATOM 424 CA GLU A 25 6.845 -0.974 -6.276 1.00 0.00 C ATOM 425 C GLU A 25 5.496 -1.659 -6.477 1.00 0.00 C ATOM 426 O GLU A 25 4.592 -1.102 -7.099 1.00 0.00 O ATOM 427 CB GLU A 25 7.906 -1.647 -7.149 1.00 0.00 C ATOM 428 CG GLU A 25 9.207 -0.868 -7.234 1.00 0.00 C ATOM 429 CD GLU A 25 9.192 0.176 -8.335 1.00 0.00 C ATOM 430 OE1 GLU A 25 8.947 -0.195 -9.502 1.00 0.00 O ATOM 431 OE2 GLU A 25 9.424 1.364 -8.028 1.00 0.00 O ATOM 0 H GLU A 25 8.197 -1.336 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 25 6.751 0.071 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.113 -2.641 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.506 -1.781 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.397 -0.380 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.030 -1.561 -7.407 1.00 0.00 H new ATOM 438 N GLU A 26 5.369 -2.871 -5.945 1.00 0.00 N ATOM 439 CA GLU A 26 4.132 -3.633 -6.068 1.00 0.00 C ATOM 440 C GLU A 26 2.973 -2.899 -5.397 1.00 0.00 C ATOM 441 O GLU A 26 1.915 -2.707 -5.997 1.00 0.00 O ATOM 442 CB GLU A 26 4.298 -5.021 -5.448 1.00 0.00 C ATOM 443 CG GLU A 26 5.255 -5.919 -6.213 1.00 0.00 C ATOM 444 CD GLU A 26 4.939 -5.979 -7.695 1.00 0.00 C ATOM 445 OE1 GLU A 26 3.773 -5.728 -8.065 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.859 -6.277 -8.486 1.00 0.00 O ATOM 0 H GLU A 26 6.107 -3.346 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 26 3.906 -3.742 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.656 -4.912 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.323 -5.505 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.274 -5.557 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.215 -6.925 -5.796 1.00 0.00 H new ATOM 453 N LEU A 27 3.181 -2.494 -4.149 1.00 0.00 N ATOM 454 CA LEU A 27 2.155 -1.782 -3.396 1.00 0.00 C ATOM 455 C LEU A 27 1.642 -0.577 -4.177 1.00 0.00 C ATOM 456 O LEU A 27 0.448 -0.464 -4.452 1.00 0.00 O ATOM 457 CB LEU A 27 2.709 -1.329 -2.044 1.00 0.00 C ATOM 458 CG LEU A 27 3.364 -2.415 -1.189 1.00 0.00 C ATOM 459 CD1 LEU A 27 4.059 -1.799 0.015 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.329 -3.439 -0.744 1.00 0.00 C ATOM 0 H LEU A 27 4.050 -2.646 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 27 1.322 -2.465 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.442 -0.542 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.895 -0.885 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 27 4.114 -2.925 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.519 -2.587 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.828 -1.105 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.329 -1.264 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.812 -4.204 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.556 -2.944 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.876 -3.903 -1.620 1.00 0.00 H new ATOM 472 N VAL A 28 2.554 0.322 -4.535 1.00 0.00 N ATOM 473 CA VAL A 28 2.196 1.517 -5.288 1.00 0.00 C ATOM 474 C VAL A 28 1.421 1.159 -6.551 1.00 0.00 C ATOM 475 O VAL A 28 0.360 1.722 -6.821 1.00 0.00 O ATOM 476 CB VAL A 28 3.444 2.331 -5.679 1.00 0.00 C ATOM 477 CG1 VAL A 28 3.050 3.564 -6.477 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.236 2.718 -4.439 1.00 0.00 C ATOM 0 H VAL A 28 3.547 0.244 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 28 1.566 2.123 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 28 4.080 1.709 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.945 4.126 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.529 3.259 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.393 4.192 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.114 3.293 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.611 3.322 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.551 1.817 -3.913 1.00 0.00 H new ATOM 488 N GLU A 29 1.958 0.218 -7.322 1.00 0.00 N ATOM 489 CA GLU A 29 1.316 -0.215 -8.557 1.00 0.00 C ATOM 490 C GLU A 29 -0.120 -0.662 -8.297 1.00 0.00 C ATOM 491 O GLU A 29 -1.048 -0.237 -8.984 1.00 0.00 O ATOM 492 CB GLU A 29 2.109 -1.356 -9.197 1.00 0.00 C ATOM 493 CG GLU A 29 1.419 -1.976 -10.401 1.00 0.00 C ATOM 494 CD GLU A 29 1.115 -0.961 -11.486 1.00 0.00 C ATOM 495 OE1 GLU A 29 2.062 -0.311 -11.973 1.00 0.00 O ATOM 496 OE2 GLU A 29 -0.072 -0.818 -11.846 1.00 0.00 O ATOM 0 H GLU A 29 2.835 -0.258 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 29 1.296 0.633 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.086 -0.982 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.283 -2.130 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.051 -2.763 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.490 -2.448 -10.080 1.00 0.00 H new ATOM 503 N ARG A 30 -0.293 -1.524 -7.299 1.00 0.00 N ATOM 504 CA ARG A 30 -1.614 -2.030 -6.948 1.00 0.00 C ATOM 505 C ARG A 30 -2.605 -0.884 -6.762 1.00 0.00 C ATOM 506 O ARG A 30 -3.646 -0.837 -7.419 1.00 0.00 O ATOM 507 CB ARG A 30 -1.540 -2.867 -5.670 1.00 0.00 C ATOM 508 CG ARG A 30 -2.890 -3.388 -5.203 1.00 0.00 C ATOM 509 CD ARG A 30 -2.746 -4.316 -4.007 1.00 0.00 C ATOM 510 NE ARG A 30 -1.904 -5.470 -4.308 1.00 0.00 N ATOM 511 CZ ARG A 30 -0.579 -5.456 -4.223 1.00 0.00 C ATOM 512 NH1 ARG A 30 0.053 -4.353 -3.847 1.00 0.00 N ATOM 513 NH2 ARG A 30 0.118 -6.548 -4.514 1.00 0.00 N ATOM 0 H ARG A 30 0.465 -1.886 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.963 -2.659 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.872 -3.712 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.098 -2.264 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.533 -2.549 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.379 -3.919 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.319 -3.764 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.732 -4.659 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.359 -6.335 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.479 -3.512 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.071 -4.345 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.364 -7.399 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.136 -6.536 -4.448 1.00 0.00 H new ATOM 527 N LEU A 31 -2.274 0.037 -5.864 1.00 0.00 N ATOM 528 CA LEU A 31 -3.134 1.183 -5.591 1.00 0.00 C ATOM 529 C LEU A 31 -3.483 1.921 -6.879 1.00 0.00 C ATOM 530 O LEU A 31 -4.632 2.307 -7.092 1.00 0.00 O ATOM 531 CB LEU A 31 -2.448 2.138 -4.612 1.00 0.00 C ATOM 532 CG LEU A 31 -2.512 1.746 -3.136 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.528 2.571 -2.321 1.00 0.00 C ATOM 534 CD2 LEU A 31 -3.926 1.917 -2.599 1.00 0.00 C ATOM 0 H LEU A 31 -1.416 0.013 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.057 0.815 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.400 2.229 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.896 3.125 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.235 0.695 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.588 2.278 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.516 2.399 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.773 3.629 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.952 1.633 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.231 2.958 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.609 1.282 -3.163 1.00 0.00 H new ATOM 546 N GLN A 32 -2.485 2.111 -7.736 1.00 0.00 N ATOM 547 CA GLN A 32 -2.688 2.801 -9.004 1.00 0.00 C ATOM 548 C GLN A 32 -3.734 2.085 -9.852 1.00 0.00 C ATOM 549 O GLN A 32 -4.585 2.722 -10.474 1.00 0.00 O ATOM 550 CB GLN A 32 -1.369 2.897 -9.773 1.00 0.00 C ATOM 551 CG GLN A 32 -0.540 4.118 -9.409 1.00 0.00 C ATOM 552 CD GLN A 32 -0.902 5.336 -10.235 1.00 0.00 C ATOM 553 OE1 GLN A 32 -1.242 5.224 -11.413 1.00 0.00 O ATOM 554 NE2 GLN A 32 -0.832 6.511 -9.619 1.00 0.00 N ATOM 0 H GLN A 32 -1.528 1.797 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.049 3.807 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.781 1.999 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.582 2.918 -10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.680 4.346 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.517 3.890 -9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.545 6.558 -8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.065 7.366 -10.124 1.00 0.00 H new ATOM 563 N SER A 33 -3.665 0.758 -9.873 1.00 0.00 N ATOM 564 CA SER A 33 -4.603 -0.045 -10.648 1.00 0.00 C ATOM 565 C SER A 33 -6.032 0.164 -10.155 1.00 0.00 C ATOM 566 O SER A 33 -6.957 0.334 -10.951 1.00 0.00 O ATOM 567 CB SER A 33 -4.233 -1.526 -10.561 1.00 0.00 C ATOM 568 OG SER A 33 -2.937 -1.760 -11.084 1.00 0.00 O ATOM 0 H SER A 33 -2.969 0.216 -9.362 1.00 0.00 H new ATOM 0 HA SER A 33 -4.545 0.275 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.274 -1.854 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.963 -2.119 -11.111 1.00 0.00 H new ATOM 0 HG SER A 33 -2.271 -1.316 -10.519 1.00 0.00 H new ATOM 574 N TYR A 34 -6.205 0.150 -8.838 1.00 0.00 N ATOM 575 CA TYR A 34 -7.521 0.335 -8.238 1.00 0.00 C ATOM 576 C TYR A 34 -8.101 1.697 -8.606 1.00 0.00 C ATOM 577 O TYR A 34 -9.166 1.788 -9.217 1.00 0.00 O ATOM 578 CB TYR A 34 -7.434 0.199 -6.717 1.00 0.00 C ATOM 579 CG TYR A 34 -8.708 0.587 -6.001 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.733 -0.333 -5.818 1.00 0.00 C ATOM 581 CD2 TYR A 34 -8.887 1.874 -5.508 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.899 0.017 -5.165 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.049 2.232 -4.853 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.052 1.301 -4.684 1.00 0.00 C ATOM 585 OH TYR A 34 -12.212 1.654 -4.033 1.00 0.00 O ATOM 0 H TYR A 34 -5.450 0.012 -8.166 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.183 -0.438 -8.628 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.186 -0.832 -6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.617 0.821 -6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.616 -1.339 -6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.104 2.606 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.686 -0.710 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.171 3.236 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.159 2.593 -3.756 1.00 0.00 H new ATOM 595 N THR A 35 -7.391 2.757 -8.230 1.00 0.00 N ATOM 596 CA THR A 35 -7.833 4.115 -8.519 1.00 0.00 C ATOM 597 C THR A 35 -8.309 4.243 -9.961 1.00 0.00 C ATOM 598 O THR A 35 -9.351 4.841 -10.230 1.00 0.00 O ATOM 599 CB THR A 35 -6.709 5.137 -8.267 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.124 4.916 -6.980 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.243 6.559 -8.350 1.00 0.00 C ATOM 0 H THR A 35 -6.507 2.700 -7.724 1.00 0.00 H new ATOM 0 HA THR A 35 -8.664 4.327 -7.846 1.00 0.00 H new ATOM 0 HB THR A 35 -5.949 5.005 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.504 4.159 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.431 7.264 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.660 6.734 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.020 6.700 -7.599 1.00 0.00 H new ATOM 609 N ARG A 36 -7.539 3.678 -10.886 1.00 0.00 N ATOM 610 CA ARG A 36 -7.882 3.730 -12.302 1.00 0.00 C ATOM 611 C ARG A 36 -9.106 2.869 -12.596 1.00 0.00 C ATOM 612 O ARG A 36 -10.130 3.368 -13.062 1.00 0.00 O ATOM 613 CB ARG A 36 -6.699 3.263 -13.152 1.00 0.00 C ATOM 614 CG ARG A 36 -6.750 3.756 -14.589 1.00 0.00 C ATOM 615 CD ARG A 36 -6.439 5.242 -14.679 1.00 0.00 C ATOM 616 NE ARG A 36 -6.866 5.814 -15.954 1.00 0.00 N ATOM 617 CZ ARG A 36 -6.865 7.117 -16.211 1.00 0.00 C ATOM 618 NH1 ARG A 36 -6.461 7.978 -15.288 1.00 0.00 N ATOM 619 NH2 ARG A 36 -7.267 7.561 -17.395 1.00 0.00 N ATOM 0 H ARG A 36 -6.674 3.179 -10.680 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.117 4.763 -12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.773 3.607 -12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.670 2.173 -13.151 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.035 3.196 -15.192 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.739 3.564 -15.006 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.935 5.766 -13.862 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.367 5.396 -14.553 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.182 5.178 -16.686 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.150 7.641 -14.377 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.461 8.978 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.577 6.901 -18.109 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.266 8.562 -17.592 1.00 0.00 H new ATOM 633 N GLN A 37 -8.992 1.573 -12.322 1.00 0.00 N ATOM 634 CA GLN A 37 -10.089 0.643 -12.560 1.00 0.00 C ATOM 635 C GLN A 37 -11.409 1.218 -12.057 1.00 0.00 C ATOM 636 O GLN A 37 -12.355 1.395 -12.825 1.00 0.00 O ATOM 637 CB GLN A 37 -9.808 -0.696 -11.874 1.00 0.00 C ATOM 638 CG GLN A 37 -9.055 -1.682 -12.752 1.00 0.00 C ATOM 639 CD GLN A 37 -7.717 -1.144 -13.220 1.00 0.00 C ATOM 640 OE1 GLN A 37 -6.674 -1.453 -12.642 1.00 0.00 O ATOM 641 NE2 GLN A 37 -7.739 -0.333 -14.271 1.00 0.00 N ATOM 0 H GLN A 37 -8.151 1.144 -11.935 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.170 0.483 -13.635 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.231 -0.516 -10.967 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.753 -1.143 -11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.897 -2.608 -12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.666 -1.930 -13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.626 -0.103 -14.720 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.869 0.060 -14.630 1.00 0.00 H new ATOM 650 N THR A 38 -11.467 1.507 -10.760 1.00 0.00 N ATOM 651 CA THR A 38 -12.671 2.060 -10.154 1.00 0.00 C ATOM 652 C THR A 38 -12.863 3.521 -10.547 1.00 0.00 C ATOM 653 O THR A 38 -13.915 3.903 -11.058 1.00 0.00 O ATOM 654 CB THR A 38 -12.626 1.955 -8.618 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.482 2.652 -8.113 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.576 0.500 -8.176 1.00 0.00 C ATOM 0 H THR A 38 -10.694 1.367 -10.110 1.00 0.00 H new ATOM 0 HA THR A 38 -13.511 1.473 -10.526 1.00 0.00 H new ATOM 0 HB THR A 38 -13.533 2.408 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.665 2.212 -8.428 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.545 0.451 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.463 -0.021 -8.537 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.684 0.026 -8.586 1.00 0.00 H new ATOM 664 N GLY A 39 -11.839 4.334 -10.304 1.00 0.00 N ATOM 665 CA GLY A 39 -11.916 5.744 -10.639 1.00 0.00 C ATOM 666 C GLY A 39 -12.129 6.619 -9.420 1.00 0.00 C ATOM 667 O GLY A 39 -12.713 7.698 -9.518 1.00 0.00 O ATOM 0 H GLY A 39 -10.958 4.041 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.997 6.045 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.732 5.903 -11.343 1.00 0.00 H new ATOM 671 N ILE A 40 -11.655 6.153 -8.270 1.00 0.00 N ATOM 672 CA ILE A 40 -11.798 6.901 -7.027 1.00 0.00 C ATOM 673 C ILE A 40 -10.440 7.161 -6.383 1.00 0.00 C ATOM 674 O ILE A 40 -9.699 6.228 -6.073 1.00 0.00 O ATOM 675 CB ILE A 40 -12.696 6.156 -6.021 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.094 5.951 -6.609 1.00 0.00 C ATOM 677 CG2 ILE A 40 -12.774 6.925 -4.711 1.00 0.00 C ATOM 678 CD1 ILE A 40 -14.935 4.960 -5.834 1.00 0.00 C ATOM 0 H ILE A 40 -11.169 5.262 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.265 7.852 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.259 5.178 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -14.611 6.910 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.000 5.608 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.412 6.386 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.774 7.026 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.192 7.915 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.912 4.864 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.439 3.989 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.060 5.312 -4.810 1.00 0.00 H new ATOM 690 N VAL A 41 -10.121 8.435 -6.181 1.00 0.00 N ATOM 691 CA VAL A 41 -8.854 8.819 -5.571 1.00 0.00 C ATOM 692 C VAL A 41 -8.878 8.589 -4.064 1.00 0.00 C ATOM 693 O VAL A 41 -9.746 9.106 -3.360 1.00 0.00 O ATOM 694 CB VAL A 41 -8.522 10.297 -5.848 1.00 0.00 C ATOM 695 CG1 VAL A 41 -7.214 10.686 -5.175 1.00 0.00 C ATOM 696 CG2 VAL A 41 -8.458 10.556 -7.346 1.00 0.00 C ATOM 0 H VAL A 41 -10.723 9.219 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.084 8.191 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.316 10.915 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.996 11.734 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.301 10.539 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.407 10.064 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.222 11.605 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.685 9.930 -7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.421 10.319 -7.798 1.00 0.00 H new ATOM 706 N LEU A 42 -7.919 7.810 -3.575 1.00 0.00 N ATOM 707 CA LEU A 42 -7.828 7.511 -2.150 1.00 0.00 C ATOM 708 C LEU A 42 -7.048 8.596 -1.414 1.00 0.00 C ATOM 709 O LEU A 42 -5.883 8.849 -1.717 1.00 0.00 O ATOM 710 CB LEU A 42 -7.161 6.152 -1.935 1.00 0.00 C ATOM 711 CG LEU A 42 -7.917 4.939 -2.479 1.00 0.00 C ATOM 712 CD1 LEU A 42 -7.025 3.707 -2.472 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.180 4.691 -1.668 1.00 0.00 C ATOM 0 H LEU A 42 -7.194 7.374 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.840 7.480 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.174 6.177 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.008 6.010 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.206 5.146 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.580 2.854 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.150 3.888 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.705 3.495 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.706 3.824 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.914 4.505 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.827 5.566 -1.726 1.00 0.00 H new ATOM 725 N ASN A 43 -7.699 9.232 -0.445 1.00 0.00 N ATOM 726 CA ASN A 43 -7.065 10.288 0.335 1.00 0.00 C ATOM 727 C ASN A 43 -6.217 9.700 1.459 1.00 0.00 C ATOM 728 O ASN A 43 -6.666 8.821 2.194 1.00 0.00 O ATOM 729 CB ASN A 43 -8.125 11.226 0.918 1.00 0.00 C ATOM 730 CG ASN A 43 -9.032 10.527 1.911 1.00 0.00 C ATOM 731 OD1 ASN A 43 -9.744 9.585 1.562 1.00 0.00 O ATOM 732 ND2 ASN A 43 -9.011 10.987 3.157 1.00 0.00 N ATOM 0 H ASN A 43 -8.664 9.034 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.413 10.855 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.633 12.066 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.727 11.638 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.601 10.557 3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.405 11.770 3.401 1.00 0.00 H new ATOM 739 N ARG A 44 -4.989 10.193 1.586 1.00 0.00 N ATOM 740 CA ARG A 44 -4.078 9.716 2.620 1.00 0.00 C ATOM 741 C ARG A 44 -4.644 9.987 4.011 1.00 0.00 C ATOM 742 O ARG A 44 -5.279 11.012 4.261 1.00 0.00 O ATOM 743 CB ARG A 44 -2.712 10.388 2.474 1.00 0.00 C ATOM 744 CG ARG A 44 -1.778 10.130 3.645 1.00 0.00 C ATOM 745 CD ARG A 44 -0.747 11.238 3.791 1.00 0.00 C ATOM 746 NE ARG A 44 -1.325 12.453 4.358 1.00 0.00 N ATOM 747 CZ ARG A 44 -0.697 13.624 4.382 1.00 0.00 C ATOM 748 NH1 ARG A 44 0.522 13.737 3.873 1.00 0.00 N ATOM 749 NH2 ARG A 44 -1.289 14.685 4.916 1.00 0.00 N ATOM 0 H ARG A 44 -4.602 10.922 0.986 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.961 8.639 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.239 10.034 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.855 11.463 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.359 10.049 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.270 9.176 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.068 10.893 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.316 11.463 2.815 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.262 12.400 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.980 12.924 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.002 14.637 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.227 14.602 5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.806 15.583 4.934 1.00 0.00 H new ATOM 763 N PRO A 45 -4.411 9.046 4.938 1.00 0.00 N ATOM 764 CA PRO A 45 -4.889 9.160 6.319 1.00 0.00 C ATOM 765 C PRO A 45 -4.158 10.249 7.097 1.00 0.00 C ATOM 766 O PRO A 45 -2.939 10.197 7.260 1.00 0.00 O ATOM 767 CB PRO A 45 -4.586 7.783 6.914 1.00 0.00 C ATOM 768 CG PRO A 45 -3.457 7.257 6.098 1.00 0.00 C ATOM 769 CD PRO A 45 -3.661 7.799 4.710 1.00 0.00 C ATOM 0 HA PRO A 45 -5.942 9.437 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.312 7.858 7.966 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.455 7.127 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.498 7.578 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.453 6.167 6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.712 7.987 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.220 7.103 4.085 1.00 0.00 H new ATOM 777 N SER A 46 -4.910 11.234 7.577 1.00 0.00 N ATOM 778 CA SER A 46 -4.333 12.337 8.336 1.00 0.00 C ATOM 779 C SER A 46 -4.442 12.080 9.836 1.00 0.00 C ATOM 780 O SER A 46 -3.437 12.043 10.546 1.00 0.00 O ATOM 781 CB SER A 46 -5.033 13.650 7.980 1.00 0.00 C ATOM 782 OG SER A 46 -4.309 14.764 8.474 1.00 0.00 O ATOM 0 H SER A 46 -5.921 11.291 7.454 1.00 0.00 H new ATOM 0 HA SER A 46 -3.278 12.413 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.135 13.730 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.040 13.653 8.396 1.00 0.00 H new ATOM 0 HG SER A 46 -4.776 15.591 8.232 1.00 0.00 H new ATOM 788 N GLY A 47 -5.671 11.903 10.313 1.00 0.00 N ATOM 789 CA GLY A 47 -5.889 11.652 11.725 1.00 0.00 C ATOM 790 C GLY A 47 -6.249 12.911 12.489 1.00 0.00 C ATOM 791 O GLY A 47 -6.604 13.936 11.906 1.00 0.00 O ATOM 0 H GLY A 47 -6.519 11.929 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.687 10.919 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.989 11.214 12.156 1.00 0.00 H new ATOM 795 N PRO A 48 -6.160 12.843 13.825 1.00 0.00 N ATOM 796 CA PRO A 48 -6.476 13.977 14.699 1.00 0.00 C ATOM 797 C PRO A 48 -5.447 15.097 14.590 1.00 0.00 C ATOM 798 O PRO A 48 -4.374 15.028 15.190 1.00 0.00 O ATOM 799 CB PRO A 48 -6.452 13.363 16.101 1.00 0.00 C ATOM 800 CG PRO A 48 -5.551 12.182 15.981 1.00 0.00 C ATOM 801 CD PRO A 48 -5.744 11.653 14.587 1.00 0.00 C ATOM 0 HA PRO A 48 -7.428 14.439 14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.078 14.073 16.838 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.451 13.068 16.421 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.512 12.465 16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.800 11.424 16.724 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.825 11.223 14.190 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.502 10.870 14.556 1.00 0.00 H new ATOM 809 N SER A 49 -5.780 16.128 13.820 1.00 0.00 N ATOM 810 CA SER A 49 -4.882 17.261 13.630 1.00 0.00 C ATOM 811 C SER A 49 -5.525 18.553 14.127 1.00 0.00 C ATOM 812 O SER A 49 -6.402 19.115 13.472 1.00 0.00 O ATOM 813 CB SER A 49 -4.508 17.401 12.153 1.00 0.00 C ATOM 814 OG SER A 49 -5.656 17.636 11.356 1.00 0.00 O ATOM 0 H SER A 49 -6.665 16.202 13.318 1.00 0.00 H new ATOM 0 HA SER A 49 -3.978 17.077 14.211 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.802 18.222 12.030 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.006 16.495 11.814 1.00 0.00 H new ATOM 0 HG SER A 49 -6.261 18.247 11.826 1.00 0.00 H new ATOM 820 N SER A 50 -5.082 19.017 15.291 1.00 0.00 N ATOM 821 CA SER A 50 -5.616 20.239 15.880 1.00 0.00 C ATOM 822 C SER A 50 -4.667 21.412 15.650 1.00 0.00 C ATOM 823 O SER A 50 -5.083 22.485 15.215 1.00 0.00 O ATOM 824 CB SER A 50 -5.854 20.047 17.379 1.00 0.00 C ATOM 825 OG SER A 50 -7.022 19.282 17.616 1.00 0.00 O ATOM 0 H SER A 50 -4.354 18.565 15.845 1.00 0.00 H new ATOM 0 HA SER A 50 -6.566 20.462 15.395 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.993 19.550 17.826 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.948 21.019 17.863 1.00 0.00 H new ATOM 0 HG SER A 50 -7.151 19.172 18.581 1.00 0.00 H new ATOM 831 N GLY A 51 -3.389 21.198 15.947 1.00 0.00 N ATOM 832 CA GLY A 51 -2.400 22.245 15.767 1.00 0.00 C ATOM 833 C GLY A 51 -2.342 22.748 14.338 1.00 0.00 C ATOM 834 O GLY A 51 -3.152 23.582 13.933 1.00 0.00 O ATOM 0 H GLY A 51 -3.021 20.318 16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.631 23.077 16.433 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.419 21.868 16.056 1.00 0.00 H new TER 838 GLY A 51