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 -160:sc= 0.223 USER MOD Set 1.2: A 35 THR OG1 : rot 75:sc= 0.428 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+ -130:sc= 0.0368 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.1) USER MOD Single : A 23 ASN : amide:sc= -0.705 K(o=-0.7,f=-1.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0534 K(o=-0.053,f=-2!) USER MOD Single : A 38 THR OG1 : rot -69:sc= 0.906 USER MOD Single : A 43 ASN : amide:sc= -0.454 X(o=-0.45,f=0.0038) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0966 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -10.539 22.928 -6.200 1.00 0.00 N ATOM 2 CA GLY A -6 -10.308 22.171 -4.983 1.00 0.00 C ATOM 3 C GLY A -6 -8.838 21.879 -4.753 1.00 0.00 C ATOM 4 O GLY A -6 -7.972 22.630 -5.201 1.00 0.00 O ATOM 0 H1 GLY A -6 -11.147 23.745 -5.990 1.00 0.00 H new ATOM 0 H2 GLY A -6 -9.630 23.261 -6.580 1.00 0.00 H new ATOM 0 H3 GLY A -6 -11.006 22.321 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -10.702 22.727 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -10.859 21.232 -5.033 1.00 0.00 H new ATOM 8 N SER A -5 -8.557 20.787 -4.049 1.00 0.00 N ATOM 9 CA SER A -5 -7.182 20.401 -3.754 1.00 0.00 C ATOM 10 C SER A -5 -6.970 18.911 -4.005 1.00 0.00 C ATOM 11 O SER A -5 -6.315 18.225 -3.221 1.00 0.00 O ATOM 12 CB SER A -5 -6.835 20.740 -2.303 1.00 0.00 C ATOM 13 OG SER A -5 -6.373 22.075 -2.187 1.00 0.00 O ATOM 0 H SER A -5 -9.263 20.154 -3.672 1.00 0.00 H new ATOM 0 HA SER A -5 -6.523 20.961 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A -5 -7.714 20.600 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A -5 -6.070 20.054 -1.939 1.00 0.00 H new ATOM 0 HG SER A -5 -6.160 22.267 -1.250 1.00 0.00 H new ATOM 19 N SER A -4 -7.530 18.418 -5.105 1.00 0.00 N ATOM 20 CA SER A -4 -7.407 17.009 -5.459 1.00 0.00 C ATOM 21 C SER A -4 -6.188 16.776 -6.346 1.00 0.00 C ATOM 22 O SER A -4 -6.082 17.339 -7.435 1.00 0.00 O ATOM 23 CB SER A -4 -8.671 16.528 -6.174 1.00 0.00 C ATOM 24 OG SER A -4 -9.799 16.599 -5.319 1.00 0.00 O ATOM 0 H SER A -4 -8.073 18.973 -5.766 1.00 0.00 H new ATOM 0 HA SER A -4 -7.280 16.439 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A -4 -8.845 17.137 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A -4 -8.532 15.502 -6.514 1.00 0.00 H new ATOM 0 HG SER A -4 -10.594 16.288 -5.800 1.00 0.00 H new ATOM 30 N GLY A -3 -5.268 15.941 -5.871 1.00 0.00 N ATOM 31 CA GLY A -3 -4.068 15.648 -6.633 1.00 0.00 C ATOM 32 C GLY A -3 -4.336 14.723 -7.803 1.00 0.00 C ATOM 33 O GLY A -3 -5.454 14.664 -8.314 1.00 0.00 O ATOM 0 H GLY A -3 -5.333 15.463 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -3.639 16.580 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -3.326 15.193 -5.976 1.00 0.00 H new ATOM 37 N SER A -2 -3.306 13.999 -8.231 1.00 0.00 N ATOM 38 CA SER A -2 -3.434 13.076 -9.352 1.00 0.00 C ATOM 39 C SER A -2 -2.661 11.788 -9.087 1.00 0.00 C ATOM 40 O SER A -2 -1.912 11.689 -8.115 1.00 0.00 O ATOM 41 CB SER A -2 -2.929 13.731 -10.639 1.00 0.00 C ATOM 42 OG SER A -2 -1.531 13.958 -10.582 1.00 0.00 O ATOM 0 H SER A -2 -2.374 14.034 -7.818 1.00 0.00 H new ATOM 0 HA SER A -2 -4.489 12.828 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.162 13.093 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A -2 -3.448 14.676 -10.797 1.00 0.00 H new ATOM 0 HG SER A -2 -1.233 14.376 -11.417 1.00 0.00 H new ATOM 48 N SER A -1 -2.848 10.802 -9.959 1.00 0.00 N ATOM 49 CA SER A -1 -2.172 9.518 -9.818 1.00 0.00 C ATOM 50 C SER A -1 -0.753 9.706 -9.289 1.00 0.00 C ATOM 51 O SER A -1 0.081 10.344 -9.931 1.00 0.00 O ATOM 52 CB SER A -1 -2.135 8.786 -11.161 1.00 0.00 C ATOM 53 OG SER A -1 -3.444 8.483 -11.612 1.00 0.00 O ATOM 0 H SER A -1 -3.462 10.868 -10.771 1.00 0.00 H new ATOM 0 HA SER A -1 -2.732 8.918 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A -1 -1.625 9.403 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.559 7.866 -11.062 1.00 0.00 H new ATOM 0 HG SER A -1 -3.394 8.017 -12.473 1.00 0.00 H new ATOM 59 N GLY A 0 -0.487 9.145 -8.114 1.00 0.00 N ATOM 60 CA GLY A 0 0.832 9.262 -7.518 1.00 0.00 C ATOM 61 C GLY A 0 0.845 8.860 -6.056 1.00 0.00 C ATOM 62 O GLY A 0 0.708 9.706 -5.172 1.00 0.00 O ATOM 0 H GLY A 0 -1.160 8.612 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 0 1.534 8.637 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.180 10.291 -7.612 1.00 0.00 H new ATOM 66 N TYR A 1 1.009 7.567 -5.801 1.00 0.00 N ATOM 67 CA TYR A 1 1.035 7.054 -4.437 1.00 0.00 C ATOM 68 C TYR A 1 2.454 6.675 -4.025 1.00 0.00 C ATOM 69 O TYR A 1 2.674 5.642 -3.394 1.00 0.00 O ATOM 70 CB TYR A 1 0.113 5.841 -4.308 1.00 0.00 C ATOM 71 CG TYR A 1 -1.347 6.163 -4.535 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.043 6.984 -3.657 1.00 0.00 C ATOM 73 CD2 TYR A 1 -2.029 5.648 -5.631 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.377 7.280 -3.861 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.363 5.940 -5.843 1.00 0.00 C ATOM 76 CZ TYR A 1 -4.032 6.756 -4.956 1.00 0.00 C ATOM 77 OH TYR A 1 -5.361 7.050 -5.163 1.00 0.00 O ATOM 0 H TYR A 1 1.126 6.855 -6.522 1.00 0.00 H new ATOM 0 HA TYR A 1 0.681 7.842 -3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.424 5.081 -5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.231 5.410 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.533 7.398 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.508 5.009 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.904 7.918 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.879 5.531 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.755 6.380 -5.760 1.00 0.00 H new ATOM 87 N GLY A 2 3.415 7.520 -4.387 1.00 0.00 N ATOM 88 CA GLY A 2 4.801 7.257 -4.046 1.00 0.00 C ATOM 89 C GLY A 2 5.205 7.890 -2.730 1.00 0.00 C ATOM 90 O GLY A 2 5.638 7.199 -1.808 1.00 0.00 O ATOM 0 H GLY A 2 3.258 8.382 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.960 6.180 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.445 7.635 -4.840 1.00 0.00 H new ATOM 94 N ALA A 3 5.065 9.209 -2.641 1.00 0.00 N ATOM 95 CA ALA A 3 5.418 9.935 -1.428 1.00 0.00 C ATOM 96 C ALA A 3 4.919 9.204 -0.186 1.00 0.00 C ATOM 97 O ALA A 3 5.478 9.354 0.900 1.00 0.00 O ATOM 98 CB ALA A 3 4.853 11.347 -1.474 1.00 0.00 C ATOM 0 H ALA A 3 4.709 9.796 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 3 6.505 9.992 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.125 11.877 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.262 11.875 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.767 11.302 -1.558 1.00 0.00 H new ATOM 104 N TRP A 4 3.864 8.414 -0.354 1.00 0.00 N ATOM 105 CA TRP A 4 3.290 7.661 0.755 1.00 0.00 C ATOM 106 C TRP A 4 4.327 6.732 1.377 1.00 0.00 C ATOM 107 O TRP A 4 5.311 6.367 0.735 1.00 0.00 O ATOM 108 CB TRP A 4 2.084 6.851 0.277 1.00 0.00 C ATOM 109 CG TRP A 4 0.883 7.695 -0.024 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.879 8.993 -0.450 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.490 7.301 0.080 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.413 9.429 -0.617 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.271 8.410 -0.300 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.135 6.119 0.454 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.663 8.370 -0.313 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.516 6.081 0.440 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.268 7.200 0.058 1.00 0.00 C ATOM 0 H TRP A 4 3.389 8.279 -1.247 1.00 0.00 H new ATOM 0 HA TRP A 4 2.964 8.372 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.361 6.294 -0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.822 6.118 1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.762 9.589 -0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -0.689 10.361 -0.927 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.564 5.251 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.244 9.232 -0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.025 5.173 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.346 7.138 0.056 1.00 0.00 H new ATOM 128 N ALA A 5 4.100 6.354 2.631 1.00 0.00 N ATOM 129 CA ALA A 5 5.014 5.467 3.339 1.00 0.00 C ATOM 130 C ALA A 5 4.476 4.041 3.377 1.00 0.00 C ATOM 131 O ALA A 5 3.266 3.822 3.317 1.00 0.00 O ATOM 132 CB ALA A 5 5.259 5.978 4.751 1.00 0.00 C ATOM 0 H ALA A 5 3.291 6.649 3.177 1.00 0.00 H new ATOM 0 HA ALA A 5 5.961 5.456 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.944 5.305 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.695 6.976 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.314 6.019 5.292 1.00 0.00 H new ATOM 138 N ALA A 6 5.382 3.073 3.476 1.00 0.00 N ATOM 139 CA ALA A 6 4.997 1.668 3.523 1.00 0.00 C ATOM 140 C ALA A 6 3.794 1.459 4.437 1.00 0.00 C ATOM 141 O ALA A 6 2.772 0.916 4.017 1.00 0.00 O ATOM 142 CB ALA A 6 6.169 0.815 3.985 1.00 0.00 C ATOM 0 H ALA A 6 6.388 3.237 3.525 1.00 0.00 H new ATOM 0 HA ALA A 6 4.713 1.360 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.867 -0.232 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.001 0.933 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.480 1.132 4.980 1.00 0.00 H new ATOM 148 N GLN A 7 3.924 1.892 5.686 1.00 0.00 N ATOM 149 CA GLN A 7 2.847 1.749 6.659 1.00 0.00 C ATOM 150 C GLN A 7 1.534 2.288 6.101 1.00 0.00 C ATOM 151 O GLN A 7 0.506 1.615 6.152 1.00 0.00 O ATOM 152 CB GLN A 7 3.202 2.481 7.955 1.00 0.00 C ATOM 153 CG GLN A 7 2.134 2.368 9.030 1.00 0.00 C ATOM 154 CD GLN A 7 2.368 3.317 10.188 1.00 0.00 C ATOM 155 OE1 GLN A 7 2.205 4.530 10.054 1.00 0.00 O ATOM 156 NE2 GLN A 7 2.753 2.769 11.335 1.00 0.00 N ATOM 0 H GLN A 7 4.763 2.344 6.048 1.00 0.00 H new ATOM 0 HA GLN A 7 2.722 0.687 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.139 2.082 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.372 3.534 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.158 2.572 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.107 1.344 9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.876 1.759 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.926 3.359 12.149 1.00 0.00 H new ATOM 165 N GLU A 8 1.578 3.505 5.568 1.00 0.00 N ATOM 166 CA GLU A 8 0.391 4.133 5.002 1.00 0.00 C ATOM 167 C GLU A 8 -0.236 3.246 3.930 1.00 0.00 C ATOM 168 O GLU A 8 -1.401 2.861 4.030 1.00 0.00 O ATOM 169 CB GLU A 8 0.743 5.498 4.407 1.00 0.00 C ATOM 170 CG GLU A 8 1.460 6.420 5.380 1.00 0.00 C ATOM 171 CD GLU A 8 0.501 7.244 6.217 1.00 0.00 C ATOM 172 OE1 GLU A 8 -0.438 6.657 6.795 1.00 0.00 O ATOM 173 OE2 GLU A 8 0.689 8.476 6.293 1.00 0.00 O ATOM 0 H GLU A 8 2.422 4.075 5.517 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.333 4.270 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.372 5.351 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.172 5.983 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.093 5.825 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.118 7.088 4.824 1.00 0.00 H new ATOM 180 N LEU A 9 0.546 2.925 2.905 1.00 0.00 N ATOM 181 CA LEU A 9 0.069 2.083 1.813 1.00 0.00 C ATOM 182 C LEU A 9 -0.493 0.769 2.345 1.00 0.00 C ATOM 183 O LEU A 9 -1.669 0.463 2.151 1.00 0.00 O ATOM 184 CB LEU A 9 1.204 1.804 0.825 1.00 0.00 C ATOM 185 CG LEU A 9 1.924 3.032 0.266 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.287 2.645 -0.286 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.081 3.700 -0.811 1.00 0.00 C ATOM 0 H LEU A 9 1.513 3.235 2.807 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.730 2.616 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.940 1.169 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.799 1.233 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 9 2.072 3.744 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.785 3.531 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.892 2.212 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.162 1.914 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.609 4.572 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.902 2.995 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.128 4.012 -0.385 1.00 0.00 H new ATOM 199 N GLN A 10 0.356 -0.003 3.017 1.00 0.00 N ATOM 200 CA GLN A 10 -0.058 -1.284 3.578 1.00 0.00 C ATOM 201 C GLN A 10 -1.435 -1.176 4.223 1.00 0.00 C ATOM 202 O GLN A 10 -2.367 -1.883 3.840 1.00 0.00 O ATOM 203 CB GLN A 10 0.965 -1.767 4.608 1.00 0.00 C ATOM 204 CG GLN A 10 2.211 -2.377 3.988 1.00 0.00 C ATOM 205 CD GLN A 10 3.249 -2.764 5.023 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.520 -2.010 5.959 1.00 0.00 O ATOM 207 NE2 GLN A 10 3.836 -3.944 4.862 1.00 0.00 N ATOM 0 H GLN A 10 1.333 0.236 3.186 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.114 -2.008 2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.257 -0.928 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.494 -2.505 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.931 -3.259 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.649 -1.666 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.581 -4.537 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.542 -4.258 5.528 1.00 0.00 H new ATOM 216 N ALA A 11 -1.557 -0.287 5.203 1.00 0.00 N ATOM 217 CA ALA A 11 -2.821 -0.087 5.900 1.00 0.00 C ATOM 218 C ALA A 11 -3.983 -0.002 4.916 1.00 0.00 C ATOM 219 O ALA A 11 -4.907 -0.815 4.959 1.00 0.00 O ATOM 220 CB ALA A 11 -2.758 1.170 6.755 1.00 0.00 C ATOM 0 H ALA A 11 -0.795 0.306 5.532 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.991 -0.947 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.709 1.308 7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.958 1.071 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.562 2.033 6.119 1.00 0.00 H new ATOM 226 N LYS A 12 -3.931 0.986 4.030 1.00 0.00 N ATOM 227 CA LYS A 12 -4.979 1.178 3.034 1.00 0.00 C ATOM 228 C LYS A 12 -5.281 -0.127 2.305 1.00 0.00 C ATOM 229 O LYS A 12 -6.406 -0.626 2.344 1.00 0.00 O ATOM 230 CB LYS A 12 -4.563 2.253 2.027 1.00 0.00 C ATOM 231 CG LYS A 12 -4.907 3.665 2.469 1.00 0.00 C ATOM 232 CD LYS A 12 -6.402 3.835 2.682 1.00 0.00 C ATOM 233 CE LYS A 12 -6.800 5.303 2.690 1.00 0.00 C ATOM 234 NZ LYS A 12 -6.650 5.911 4.041 1.00 0.00 N ATOM 0 H LYS A 12 -3.173 1.667 3.981 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.882 1.503 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.488 2.185 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.048 2.052 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.378 3.897 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.563 4.376 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.945 3.314 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.691 3.373 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.185 5.850 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.834 5.401 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.931 6.912 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.256 5.406 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.658 5.841 4.345 1.00 0.00 H new ATOM 248 N LEU A 13 -4.269 -0.677 1.642 1.00 0.00 N ATOM 249 CA LEU A 13 -4.426 -1.926 0.904 1.00 0.00 C ATOM 250 C LEU A 13 -5.171 -2.962 1.740 1.00 0.00 C ATOM 251 O LEU A 13 -6.241 -3.432 1.355 1.00 0.00 O ATOM 252 CB LEU A 13 -3.058 -2.473 0.493 1.00 0.00 C ATOM 253 CG LEU A 13 -2.262 -1.618 -0.494 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.997 -2.342 -0.927 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.116 -1.263 -1.702 1.00 0.00 C ATOM 0 H LEU A 13 -3.331 -0.278 1.600 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.012 -1.720 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.458 -2.608 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.201 -3.461 0.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.974 -0.693 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.443 -1.719 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.377 -2.544 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.263 -3.283 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.533 -0.654 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.435 -2.177 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.992 -0.703 -1.376 1.00 0.00 H new ATOM 267 N ALA A 14 -4.598 -3.311 2.887 1.00 0.00 N ATOM 268 CA ALA A 14 -5.209 -4.288 3.780 1.00 0.00 C ATOM 269 C ALA A 14 -6.600 -3.839 4.215 1.00 0.00 C ATOM 270 O ALA A 14 -7.467 -4.664 4.501 1.00 0.00 O ATOM 271 CB ALA A 14 -4.323 -4.520 4.995 1.00 0.00 C ATOM 0 H ALA A 14 -3.712 -2.932 3.220 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.312 -5.227 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.792 -5.252 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.352 -4.893 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.190 -3.581 5.533 1.00 0.00 H new ATOM 277 N GLU A 15 -6.805 -2.527 4.264 1.00 0.00 N ATOM 278 CA GLU A 15 -8.091 -1.969 4.666 1.00 0.00 C ATOM 279 C GLU A 15 -9.189 -2.371 3.685 1.00 0.00 C ATOM 280 O GLU A 15 -10.317 -2.661 4.085 1.00 0.00 O ATOM 281 CB GLU A 15 -8.006 -0.444 4.756 1.00 0.00 C ATOM 282 CG GLU A 15 -9.090 0.176 5.621 1.00 0.00 C ATOM 283 CD GLU A 15 -9.167 -0.452 6.999 1.00 0.00 C ATOM 284 OE1 GLU A 15 -8.473 0.037 7.914 1.00 0.00 O ATOM 285 OE2 GLU A 15 -9.924 -1.432 7.162 1.00 0.00 O ATOM 0 H GLU A 15 -6.097 -1.830 4.030 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.340 -2.370 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.031 -0.166 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.070 -0.025 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.901 1.245 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.053 0.068 5.122 1.00 0.00 H new ATOM 292 N ILE A 16 -8.850 -2.384 2.400 1.00 0.00 N ATOM 293 CA ILE A 16 -9.806 -2.750 1.363 1.00 0.00 C ATOM 294 C ILE A 16 -9.836 -4.260 1.151 1.00 0.00 C ATOM 295 O ILE A 16 -10.562 -4.763 0.294 1.00 0.00 O ATOM 296 CB ILE A 16 -9.476 -2.062 0.025 1.00 0.00 C ATOM 297 CG1 ILE A 16 -8.022 -2.333 -0.368 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.734 -0.566 0.121 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.693 -1.924 -1.787 1.00 0.00 C ATOM 0 H ILE A 16 -7.921 -2.145 2.053 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.785 -2.414 1.704 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.125 -2.474 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.363 -1.799 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.814 -3.396 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.496 -0.094 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.783 -0.392 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.108 -0.138 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.646 -2.145 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.326 -2.477 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.869 -0.855 -1.908 1.00 0.00 H new ATOM 311 N GLY A 17 -9.043 -4.979 1.940 1.00 0.00 N ATOM 312 CA GLY A 17 -8.995 -6.425 1.824 1.00 0.00 C ATOM 313 C GLY A 17 -7.985 -6.891 0.795 1.00 0.00 C ATOM 314 O GLY A 17 -8.169 -7.929 0.161 1.00 0.00 O ATOM 0 H GLY A 17 -8.433 -4.586 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.746 -6.856 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.983 -6.798 1.553 1.00 0.00 H new ATOM 318 N ALA A 18 -6.915 -6.121 0.628 1.00 0.00 N ATOM 319 CA ALA A 18 -5.871 -6.461 -0.331 1.00 0.00 C ATOM 320 C ALA A 18 -4.612 -6.948 0.377 1.00 0.00 C ATOM 321 O ALA A 18 -4.311 -6.550 1.503 1.00 0.00 O ATOM 322 CB ALA A 18 -5.553 -5.262 -1.213 1.00 0.00 C ATOM 0 H ALA A 18 -6.748 -5.257 1.144 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.240 -7.272 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.772 -5.530 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.449 -4.961 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.210 -4.434 -0.592 1.00 0.00 H new ATOM 328 N PRO A 19 -3.857 -7.829 -0.295 1.00 0.00 N ATOM 329 CA PRO A 19 -2.617 -8.389 0.252 1.00 0.00 C ATOM 330 C PRO A 19 -1.502 -7.353 0.340 1.00 0.00 C ATOM 331 O PRO A 19 -1.208 -6.660 -0.635 1.00 0.00 O ATOM 332 CB PRO A 19 -2.250 -9.486 -0.752 1.00 0.00 C ATOM 333 CG PRO A 19 -2.888 -9.060 -2.028 1.00 0.00 C ATOM 334 CD PRO A 19 -4.155 -8.347 -1.641 1.00 0.00 C ATOM 0 HA PRO A 19 -2.749 -8.752 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.169 -9.578 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.621 -10.459 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.228 -8.403 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.102 -9.920 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.393 -7.543 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.010 -9.023 -1.631 1.00 0.00 H new ATOM 342 N ILE A 20 -0.885 -7.252 1.512 1.00 0.00 N ATOM 343 CA ILE A 20 0.199 -6.301 1.725 1.00 0.00 C ATOM 344 C ILE A 20 1.557 -6.954 1.490 1.00 0.00 C ATOM 345 O ILE A 20 2.510 -6.709 2.230 1.00 0.00 O ATOM 346 CB ILE A 20 0.162 -5.717 3.150 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.109 -6.842 4.185 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.030 -4.785 3.310 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.451 -6.389 5.587 1.00 0.00 C ATOM 0 H ILE A 20 -1.117 -7.817 2.329 1.00 0.00 H new ATOM 0 HA ILE A 20 0.058 -5.494 1.006 1.00 0.00 H new ATOM 0 HB ILE A 20 1.073 -5.141 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.890 -7.277 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.800 -7.631 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.042 -4.380 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.951 -3.967 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.951 -5.339 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.393 -7.238 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.461 -5.981 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.255 -5.621 5.904 1.00 0.00 H new ATOM 361 N GLN A 21 1.637 -7.783 0.455 1.00 0.00 N ATOM 362 CA GLN A 21 2.880 -8.470 0.122 1.00 0.00 C ATOM 363 C GLN A 21 3.596 -7.772 -1.029 1.00 0.00 C ATOM 364 O GLN A 21 2.994 -6.994 -1.768 1.00 0.00 O ATOM 365 CB GLN A 21 2.599 -9.928 -0.246 1.00 0.00 C ATOM 366 CG GLN A 21 2.617 -10.871 0.946 1.00 0.00 C ATOM 367 CD GLN A 21 1.835 -10.332 2.128 1.00 0.00 C ATOM 368 OE1 GLN A 21 0.729 -9.815 1.972 1.00 0.00 O ATOM 369 NE2 GLN A 21 2.408 -10.451 3.320 1.00 0.00 N ATOM 0 H GLN A 21 0.857 -7.996 -0.167 1.00 0.00 H new ATOM 0 HA GLN A 21 3.527 -8.442 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.626 -9.990 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.341 -10.260 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.202 -11.834 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.649 -11.049 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.327 -10.887 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.930 -10.107 4.152 1.00 0.00 H new ATOM 378 N GLY A 22 4.887 -8.055 -1.176 1.00 0.00 N ATOM 379 CA GLY A 22 5.664 -7.445 -2.239 1.00 0.00 C ATOM 380 C GLY A 22 6.457 -6.245 -1.762 1.00 0.00 C ATOM 381 O GLY A 22 6.430 -5.905 -0.580 1.00 0.00 O ATOM 0 H GLY A 22 5.408 -8.696 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.347 -8.185 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.996 -7.138 -3.043 1.00 0.00 H new ATOM 385 N ASN A 23 7.167 -5.602 -2.684 1.00 0.00 N ATOM 386 CA ASN A 23 7.974 -4.434 -2.350 1.00 0.00 C ATOM 387 C ASN A 23 7.168 -3.150 -2.523 1.00 0.00 C ATOM 388 O ASN A 23 6.050 -3.171 -3.037 1.00 0.00 O ATOM 389 CB ASN A 23 9.226 -4.386 -3.228 1.00 0.00 C ATOM 390 CG ASN A 23 10.342 -3.573 -2.599 1.00 0.00 C ATOM 391 OD1 ASN A 23 10.595 -3.671 -1.398 1.00 0.00 O ATOM 392 ND2 ASN A 23 11.013 -2.764 -3.410 1.00 0.00 N ATOM 0 H ASN A 23 7.200 -5.870 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 23 8.274 -4.516 -1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.578 -5.401 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.971 -3.958 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.773 -2.191 -3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.768 -2.716 -4.399 1.00 0.00 H new ATOM 399 N ARG A 24 7.745 -2.033 -2.090 1.00 0.00 N ATOM 400 CA ARG A 24 7.081 -0.740 -2.196 1.00 0.00 C ATOM 401 C ARG A 24 6.448 -0.565 -3.573 1.00 0.00 C ATOM 402 O ARG A 24 5.259 -0.269 -3.686 1.00 0.00 O ATOM 403 CB ARG A 24 8.078 0.392 -1.934 1.00 0.00 C ATOM 404 CG ARG A 24 7.499 1.778 -2.165 1.00 0.00 C ATOM 405 CD ARG A 24 8.498 2.866 -1.802 1.00 0.00 C ATOM 406 NE ARG A 24 9.424 3.145 -2.896 1.00 0.00 N ATOM 407 CZ ARG A 24 9.140 3.952 -3.912 1.00 0.00 C ATOM 408 NH1 ARG A 24 7.962 4.558 -3.972 1.00 0.00 N ATOM 409 NH2 ARG A 24 10.035 4.156 -4.870 1.00 0.00 N ATOM 0 H ARG A 24 8.671 -1.998 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 24 6.292 -0.702 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.432 0.322 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.946 0.258 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.209 1.883 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.594 1.900 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.962 3.778 -1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.061 2.562 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 24 10.339 2.695 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.272 4.405 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.746 5.177 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.943 3.693 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.815 4.776 -5.650 1.00 0.00 H new ATOM 423 N GLU A 25 7.250 -0.751 -4.616 1.00 0.00 N ATOM 424 CA GLU A 25 6.767 -0.612 -5.985 1.00 0.00 C ATOM 425 C GLU A 25 5.462 -1.378 -6.182 1.00 0.00 C ATOM 426 O GLU A 25 4.445 -0.801 -6.565 1.00 0.00 O ATOM 427 CB GLU A 25 7.820 -1.115 -6.975 1.00 0.00 C ATOM 428 CG GLU A 25 9.151 -0.390 -6.868 1.00 0.00 C ATOM 429 CD GLU A 25 10.028 -0.598 -8.087 1.00 0.00 C ATOM 430 OE1 GLU A 25 9.478 -0.691 -9.205 1.00 0.00 O ATOM 431 OE2 GLU A 25 11.264 -0.669 -7.925 1.00 0.00 O ATOM 0 H GLU A 25 8.237 -0.998 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 25 6.580 0.446 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.982 -2.180 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.436 -1.004 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.970 0.676 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.680 -0.738 -5.981 1.00 0.00 H new ATOM 438 N GLU A 26 5.501 -2.680 -5.916 1.00 0.00 N ATOM 439 CA GLU A 26 4.322 -3.525 -6.065 1.00 0.00 C ATOM 440 C GLU A 26 3.096 -2.863 -5.441 1.00 0.00 C ATOM 441 O GLU A 26 2.063 -2.703 -6.092 1.00 0.00 O ATOM 442 CB GLU A 26 4.561 -4.891 -5.421 1.00 0.00 C ATOM 443 CG GLU A 26 5.411 -5.823 -6.268 1.00 0.00 C ATOM 444 CD GLU A 26 4.725 -6.227 -7.558 1.00 0.00 C ATOM 445 OE1 GLU A 26 3.557 -6.665 -7.498 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.357 -6.106 -8.629 1.00 0.00 O ATOM 0 H GLU A 26 6.335 -3.172 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 26 4.137 -3.662 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.046 -4.748 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.599 -5.365 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.357 -5.334 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.648 -6.717 -5.691 1.00 0.00 H new ATOM 453 N LEU A 27 3.218 -2.482 -4.174 1.00 0.00 N ATOM 454 CA LEU A 27 2.121 -1.839 -3.460 1.00 0.00 C ATOM 455 C LEU A 27 1.564 -0.666 -4.260 1.00 0.00 C ATOM 456 O LEU A 27 0.372 -0.617 -4.562 1.00 0.00 O ATOM 457 CB LEU A 27 2.594 -1.356 -2.087 1.00 0.00 C ATOM 458 CG LEU A 27 3.244 -2.411 -1.192 1.00 0.00 C ATOM 459 CD1 LEU A 27 3.838 -1.765 0.050 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.232 -3.480 -0.806 1.00 0.00 C ATOM 0 H LEU A 27 4.065 -2.607 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 27 1.327 -2.574 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.307 -0.545 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.739 -0.936 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 27 4.050 -2.886 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.296 -2.531 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.594 -1.037 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.050 -1.263 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.712 -4.223 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.404 -3.020 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.853 -3.964 -1.706 1.00 0.00 H new ATOM 472 N VAL A 28 2.436 0.278 -4.602 1.00 0.00 N ATOM 473 CA VAL A 28 2.032 1.450 -5.370 1.00 0.00 C ATOM 474 C VAL A 28 1.234 1.048 -6.605 1.00 0.00 C ATOM 475 O VAL A 28 0.159 1.589 -6.864 1.00 0.00 O ATOM 476 CB VAL A 28 3.252 2.281 -5.809 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.813 3.478 -6.638 1.00 0.00 C ATOM 478 CG2 VAL A 28 4.056 2.727 -4.597 1.00 0.00 C ATOM 0 H VAL A 28 3.426 0.254 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 28 1.405 2.057 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 28 3.892 1.655 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.689 4.053 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.284 3.131 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.151 4.109 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.914 3.313 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.428 3.337 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.403 1.851 -4.048 1.00 0.00 H new ATOM 488 N GLU A 29 1.766 0.096 -7.364 1.00 0.00 N ATOM 489 CA GLU A 29 1.102 -0.378 -8.573 1.00 0.00 C ATOM 490 C GLU A 29 -0.319 -0.840 -8.267 1.00 0.00 C ATOM 491 O GLU A 29 -1.263 -0.488 -8.975 1.00 0.00 O ATOM 492 CB GLU A 29 1.898 -1.522 -9.204 1.00 0.00 C ATOM 493 CG GLU A 29 1.694 -1.651 -10.704 1.00 0.00 C ATOM 494 CD GLU A 29 2.892 -2.262 -11.405 1.00 0.00 C ATOM 495 OE1 GLU A 29 3.825 -1.506 -11.751 1.00 0.00 O ATOM 496 OE2 GLU A 29 2.897 -3.493 -11.608 1.00 0.00 O ATOM 0 H GLU A 29 2.655 -0.362 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 29 1.052 0.451 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.958 -1.370 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.613 -2.459 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.814 -2.264 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.494 -0.666 -11.126 1.00 0.00 H new ATOM 503 N ARG A 30 -0.463 -1.631 -7.209 1.00 0.00 N ATOM 504 CA ARG A 30 -1.769 -2.143 -6.810 1.00 0.00 C ATOM 505 C ARG A 30 -2.779 -1.008 -6.672 1.00 0.00 C ATOM 506 O ARG A 30 -3.845 -1.033 -7.289 1.00 0.00 O ATOM 507 CB ARG A 30 -1.659 -2.906 -5.489 1.00 0.00 C ATOM 508 CG ARG A 30 -2.966 -3.536 -5.039 1.00 0.00 C ATOM 509 CD ARG A 30 -2.727 -4.693 -4.081 1.00 0.00 C ATOM 510 NE ARG A 30 -1.945 -5.761 -4.697 1.00 0.00 N ATOM 511 CZ ARG A 30 -2.440 -6.615 -5.586 1.00 0.00 C ATOM 512 NH1 ARG A 30 -3.708 -6.525 -5.961 1.00 0.00 N ATOM 513 NH2 ARG A 30 -1.665 -7.560 -6.102 1.00 0.00 N ATOM 0 H ARG A 30 0.308 -1.931 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.118 -2.824 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.906 -3.687 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.308 -2.225 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.586 -2.782 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.518 -3.891 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.208 -4.328 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.685 -5.091 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.965 -5.857 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.306 -5.799 -5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.086 -7.182 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.688 -7.631 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.046 -8.215 -6.785 1.00 0.00 H new ATOM 527 N LEU A 31 -2.438 -0.015 -5.858 1.00 0.00 N ATOM 528 CA LEU A 31 -3.316 1.129 -5.638 1.00 0.00 C ATOM 529 C LEU A 31 -3.683 1.796 -6.960 1.00 0.00 C ATOM 530 O LEU A 31 -4.855 2.059 -7.228 1.00 0.00 O ATOM 531 CB LEU A 31 -2.641 2.143 -4.712 1.00 0.00 C ATOM 532 CG LEU A 31 -2.671 1.813 -3.220 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.633 2.633 -2.470 1.00 0.00 C ATOM 534 CD2 LEU A 31 -4.060 2.055 -2.647 1.00 0.00 C ATOM 0 H LEU A 31 -1.560 0.021 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.231 0.769 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.601 2.249 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.117 3.112 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.428 0.758 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.670 2.384 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.641 2.409 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.844 3.694 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.062 1.815 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.332 3.102 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.782 1.422 -3.163 1.00 0.00 H new ATOM 546 N GLN A 32 -2.673 2.065 -7.782 1.00 0.00 N ATOM 547 CA GLN A 32 -2.891 2.699 -9.076 1.00 0.00 C ATOM 548 C GLN A 32 -3.843 1.873 -9.934 1.00 0.00 C ATOM 549 O GLN A 32 -4.688 2.419 -10.643 1.00 0.00 O ATOM 550 CB GLN A 32 -1.560 2.887 -9.806 1.00 0.00 C ATOM 551 CG GLN A 32 -0.878 4.211 -9.498 1.00 0.00 C ATOM 552 CD GLN A 32 0.196 4.563 -10.508 1.00 0.00 C ATOM 553 OE1 GLN A 32 0.766 3.685 -11.157 1.00 0.00 O ATOM 554 NE2 GLN A 32 0.478 5.853 -10.647 1.00 0.00 N ATOM 0 H GLN A 32 -1.697 1.854 -7.574 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.343 3.675 -8.902 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.889 2.071 -9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.731 2.817 -10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.625 5.004 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.435 4.164 -8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.019 6.547 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.192 6.150 -11.312 1.00 0.00 H new ATOM 563 N SER A 33 -3.699 0.553 -9.866 1.00 0.00 N ATOM 564 CA SER A 33 -4.544 -0.349 -10.640 1.00 0.00 C ATOM 565 C SER A 33 -5.994 -0.272 -10.171 1.00 0.00 C ATOM 566 O SER A 33 -6.922 -0.308 -10.979 1.00 0.00 O ATOM 567 CB SER A 33 -4.034 -1.786 -10.521 1.00 0.00 C ATOM 568 OG SER A 33 -4.965 -2.705 -11.067 1.00 0.00 O ATOM 0 H SER A 33 -3.005 0.085 -9.283 1.00 0.00 H new ATOM 0 HA SER A 33 -4.501 -0.040 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.079 -1.880 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.854 -2.026 -9.473 1.00 0.00 H new ATOM 0 HG SER A 33 -4.615 -3.616 -10.980 1.00 0.00 H new ATOM 574 N TYR A 34 -6.180 -0.166 -8.860 1.00 0.00 N ATOM 575 CA TYR A 34 -7.516 -0.086 -8.282 1.00 0.00 C ATOM 576 C TYR A 34 -8.183 1.241 -8.632 1.00 0.00 C ATOM 577 O TYR A 34 -9.327 1.276 -9.085 1.00 0.00 O ATOM 578 CB TYR A 34 -7.448 -0.251 -6.763 1.00 0.00 C ATOM 579 CG TYR A 34 -8.712 0.175 -6.051 1.00 0.00 C ATOM 580 CD1 TYR A 34 -8.895 1.490 -5.644 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.725 -0.739 -5.786 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.048 1.883 -4.992 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.882 -0.356 -5.136 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.038 0.957 -4.740 1.00 0.00 C ATOM 585 OH TYR A 34 -12.189 1.344 -4.093 1.00 0.00 O ATOM 0 H TYR A 34 -5.423 -0.133 -8.178 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.115 -0.894 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.243 -1.295 -6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.611 0.332 -6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.122 2.218 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.605 -1.767 -6.094 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.173 2.910 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.660 -1.079 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.784 0.572 -3.995 1.00 0.00 H new ATOM 595 N THR A 35 -7.457 2.335 -8.418 1.00 0.00 N ATOM 596 CA THR A 35 -7.976 3.665 -8.709 1.00 0.00 C ATOM 597 C THR A 35 -8.456 3.765 -10.152 1.00 0.00 C ATOM 598 O THR A 35 -9.527 4.308 -10.423 1.00 0.00 O ATOM 599 CB THR A 35 -6.912 4.750 -8.458 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.407 4.642 -7.122 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.494 6.139 -8.675 1.00 0.00 C ATOM 0 H THR A 35 -6.508 2.325 -8.044 1.00 0.00 H new ATOM 0 HA THR A 35 -8.818 3.829 -8.037 1.00 0.00 H new ATOM 0 HB THR A 35 -6.098 4.600 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.800 3.875 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.724 6.889 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.850 6.228 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.325 6.297 -7.987 1.00 0.00 H new ATOM 609 N ARG A 36 -7.658 3.236 -11.074 1.00 0.00 N ATOM 610 CA ARG A 36 -8.003 3.266 -12.490 1.00 0.00 C ATOM 611 C ARG A 36 -9.171 2.330 -12.786 1.00 0.00 C ATOM 612 O ARG A 36 -10.101 2.691 -13.506 1.00 0.00 O ATOM 613 CB ARG A 36 -6.793 2.873 -13.340 1.00 0.00 C ATOM 614 CG ARG A 36 -6.927 3.254 -14.805 1.00 0.00 C ATOM 615 CD ARG A 36 -6.695 4.742 -15.017 1.00 0.00 C ATOM 616 NE ARG A 36 -5.274 5.065 -15.116 1.00 0.00 N ATOM 617 CZ ARG A 36 -4.800 6.306 -15.114 1.00 0.00 C ATOM 618 NH1 ARG A 36 -5.631 7.336 -15.018 1.00 0.00 N ATOM 619 NH2 ARG A 36 -3.494 6.520 -15.207 1.00 0.00 N ATOM 0 H ARG A 36 -6.769 2.782 -10.866 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.302 4.283 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.902 3.349 -12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.642 1.796 -13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.210 2.685 -15.397 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.921 2.985 -15.163 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.204 5.062 -15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.137 5.299 -14.191 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.609 4.295 -15.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.636 7.176 -14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.265 8.288 -15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.852 5.731 -15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.132 7.474 -15.205 1.00 0.00 H new ATOM 633 N GLN A 37 -9.114 1.126 -12.225 1.00 0.00 N ATOM 634 CA GLN A 37 -10.167 0.138 -12.430 1.00 0.00 C ATOM 635 C GLN A 37 -11.512 0.668 -11.946 1.00 0.00 C ATOM 636 O GLN A 37 -12.419 0.913 -12.742 1.00 0.00 O ATOM 637 CB GLN A 37 -9.824 -1.162 -11.699 1.00 0.00 C ATOM 638 CG GLN A 37 -8.940 -2.098 -12.506 1.00 0.00 C ATOM 639 CD GLN A 37 -9.046 -3.540 -12.049 1.00 0.00 C ATOM 640 OE1 GLN A 37 -9.858 -3.871 -11.185 1.00 0.00 O ATOM 641 NE2 GLN A 37 -8.224 -4.407 -12.628 1.00 0.00 N ATOM 0 H GLN A 37 -8.351 0.812 -11.626 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.240 -0.063 -13.499 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.323 -0.921 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.748 -1.680 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.215 -2.033 -13.559 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.903 -1.771 -12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.566 -4.089 -13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.250 -5.391 -12.361 1.00 0.00 H new ATOM 650 N THR A 38 -11.637 0.843 -10.633 1.00 0.00 N ATOM 651 CA THR A 38 -12.872 1.342 -10.043 1.00 0.00 C ATOM 652 C THR A 38 -13.151 2.775 -10.481 1.00 0.00 C ATOM 653 O THR A 38 -14.256 3.098 -10.914 1.00 0.00 O ATOM 654 CB THR A 38 -12.821 1.288 -8.504 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.588 1.846 -8.035 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.956 -0.143 -8.008 1.00 0.00 C ATOM 0 H THR A 38 -10.897 0.646 -9.959 1.00 0.00 H new ATOM 0 HA THR A 38 -13.675 0.695 -10.396 1.00 0.00 H new ATOM 0 HB THR A 38 -13.655 1.871 -8.114 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.847 1.252 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.917 -0.156 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.908 -0.556 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.140 -0.745 -8.407 1.00 0.00 H new ATOM 664 N GLY A 39 -12.141 3.632 -10.366 1.00 0.00 N ATOM 665 CA GLY A 39 -12.298 5.021 -10.755 1.00 0.00 C ATOM 666 C GLY A 39 -12.557 5.929 -9.570 1.00 0.00 C ATOM 667 O GLY A 39 -13.211 6.964 -9.704 1.00 0.00 O ATOM 0 H GLY A 39 -11.217 3.389 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.399 5.354 -11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.124 5.106 -11.461 1.00 0.00 H new ATOM 671 N ILE A 40 -12.045 5.542 -8.406 1.00 0.00 N ATOM 672 CA ILE A 40 -12.225 6.329 -7.193 1.00 0.00 C ATOM 673 C ILE A 40 -10.883 6.667 -6.552 1.00 0.00 C ATOM 674 O ILE A 40 -10.241 5.811 -5.943 1.00 0.00 O ATOM 675 CB ILE A 40 -13.100 5.587 -6.165 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.521 5.411 -6.704 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.118 6.340 -4.843 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.327 4.373 -5.956 1.00 0.00 C ATOM 0 H ILE A 40 -11.502 4.688 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.727 7.251 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.673 4.599 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.041 6.368 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.470 5.130 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.740 5.803 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.103 6.418 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.524 7.339 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.323 4.302 -6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.830 3.406 -6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.410 4.662 -4.908 1.00 0.00 H new ATOM 690 N VAL A 41 -10.465 7.921 -6.693 1.00 0.00 N ATOM 691 CA VAL A 41 -9.201 8.374 -6.126 1.00 0.00 C ATOM 692 C VAL A 41 -9.245 8.357 -4.602 1.00 0.00 C ATOM 693 O VAL A 41 -10.226 8.787 -3.994 1.00 0.00 O ATOM 694 CB VAL A 41 -8.849 9.795 -6.603 1.00 0.00 C ATOM 695 CG1 VAL A 41 -7.557 10.271 -5.955 1.00 0.00 C ATOM 696 CG2 VAL A 41 -8.740 9.836 -8.120 1.00 0.00 C ATOM 0 H VAL A 41 -10.984 8.641 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.433 7.682 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.650 10.470 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.324 11.277 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.676 10.281 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.745 9.596 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.491 10.848 -8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.959 9.149 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.692 9.540 -8.561 1.00 0.00 H new ATOM 706 N LEU A 42 -8.176 7.858 -3.991 1.00 0.00 N ATOM 707 CA LEU A 42 -8.092 7.786 -2.536 1.00 0.00 C ATOM 708 C LEU A 42 -7.330 8.982 -1.975 1.00 0.00 C ATOM 709 O LEU A 42 -6.472 9.554 -2.645 1.00 0.00 O ATOM 710 CB LEU A 42 -7.408 6.486 -2.109 1.00 0.00 C ATOM 711 CG LEU A 42 -7.963 5.202 -2.728 1.00 0.00 C ATOM 712 CD1 LEU A 42 -6.990 4.050 -2.528 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.321 4.865 -2.130 1.00 0.00 C ATOM 0 H LEU A 42 -7.356 7.498 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.106 7.805 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.349 6.557 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.476 6.402 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.090 5.363 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.401 3.145 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.039 4.290 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.831 3.889 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.700 3.949 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.220 4.724 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.017 5.681 -2.325 1.00 0.00 H new ATOM 725 N ASN A 43 -7.649 9.353 -0.739 1.00 0.00 N ATOM 726 CA ASN A 43 -6.993 10.480 -0.086 1.00 0.00 C ATOM 727 C ASN A 43 -5.984 9.997 0.951 1.00 0.00 C ATOM 728 O ASN A 43 -6.055 8.860 1.418 1.00 0.00 O ATOM 729 CB ASN A 43 -8.031 11.386 0.579 1.00 0.00 C ATOM 730 CG ASN A 43 -8.812 10.670 1.664 1.00 0.00 C ATOM 731 OD1 ASN A 43 -8.483 10.766 2.847 1.00 0.00 O ATOM 732 ND2 ASN A 43 -9.852 9.948 1.265 1.00 0.00 N ATOM 0 H ASN A 43 -8.357 8.890 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.460 11.048 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.530 12.254 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.722 11.758 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.416 9.444 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.088 9.897 0.274 1.00 0.00 H new ATOM 739 N ARG A 44 -5.046 10.868 1.308 1.00 0.00 N ATOM 740 CA ARG A 44 -4.023 10.530 2.290 1.00 0.00 C ATOM 741 C ARG A 44 -4.623 10.432 3.689 1.00 0.00 C ATOM 742 O ARG A 44 -5.560 11.150 4.041 1.00 0.00 O ATOM 743 CB ARG A 44 -2.906 11.576 2.274 1.00 0.00 C ATOM 744 CG ARG A 44 -1.810 11.281 1.263 1.00 0.00 C ATOM 745 CD ARG A 44 -1.116 12.555 0.807 1.00 0.00 C ATOM 746 NE ARG A 44 -0.085 12.983 1.749 1.00 0.00 N ATOM 747 CZ ARG A 44 0.913 13.799 1.426 1.00 0.00 C ATOM 748 NH1 ARG A 44 1.012 14.273 0.191 1.00 0.00 N ATOM 749 NH2 ARG A 44 1.812 14.143 2.338 1.00 0.00 N ATOM 0 H ARG A 44 -4.973 11.813 0.932 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.606 9.559 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.337 12.553 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.464 11.639 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.078 10.605 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.237 10.769 0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.667 12.393 -0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.854 13.349 0.692 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.134 12.637 2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.321 14.011 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.779 14.899 -0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.738 13.781 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.577 14.769 2.089 1.00 0.00 H new ATOM 763 N PRO A 45 -4.073 9.523 4.507 1.00 0.00 N ATOM 764 CA PRO A 45 -4.538 9.309 5.881 1.00 0.00 C ATOM 765 C PRO A 45 -4.200 10.481 6.796 1.00 0.00 C ATOM 766 O PRO A 45 -3.554 11.442 6.377 1.00 0.00 O ATOM 767 CB PRO A 45 -3.783 8.052 6.319 1.00 0.00 C ATOM 768 CG PRO A 45 -2.556 8.033 5.474 1.00 0.00 C ATOM 769 CD PRO A 45 -2.954 8.633 4.154 1.00 0.00 C ATOM 0 HA PRO A 45 -5.622 9.211 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.533 8.090 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.384 7.156 6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.754 8.607 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.187 7.016 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.131 9.184 3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.259 7.868 3.440 1.00 0.00 H new ATOM 777 N SER A 46 -4.639 10.394 8.047 1.00 0.00 N ATOM 778 CA SER A 46 -4.385 11.449 9.022 1.00 0.00 C ATOM 779 C SER A 46 -2.901 11.523 9.368 1.00 0.00 C ATOM 780 O SER A 46 -2.124 10.637 9.014 1.00 0.00 O ATOM 781 CB SER A 46 -5.206 11.209 10.290 1.00 0.00 C ATOM 782 OG SER A 46 -6.552 11.614 10.111 1.00 0.00 O ATOM 0 H SER A 46 -5.172 9.604 8.410 1.00 0.00 H new ATOM 0 HA SER A 46 -4.684 12.399 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.173 10.152 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.765 11.759 11.122 1.00 0.00 H new ATOM 0 HG SER A 46 -7.056 11.449 10.935 1.00 0.00 H new ATOM 788 N GLY A 47 -2.514 12.587 10.065 1.00 0.00 N ATOM 789 CA GLY A 47 -1.125 12.758 10.449 1.00 0.00 C ATOM 790 C GLY A 47 -0.975 13.455 11.787 1.00 0.00 C ATOM 791 O GLY A 47 -0.607 14.628 11.862 1.00 0.00 O ATOM 0 H GLY A 47 -3.138 13.334 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.641 11.782 10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.608 13.335 9.682 1.00 0.00 H new ATOM 795 N PRO A 48 -1.265 12.726 12.874 1.00 0.00 N ATOM 796 CA PRO A 48 -1.169 13.261 14.235 1.00 0.00 C ATOM 797 C PRO A 48 0.275 13.502 14.663 1.00 0.00 C ATOM 798 O PRO A 48 1.058 12.562 14.798 1.00 0.00 O ATOM 799 CB PRO A 48 -1.804 12.164 15.094 1.00 0.00 C ATOM 800 CG PRO A 48 -1.626 10.914 14.304 1.00 0.00 C ATOM 801 CD PRO A 48 -1.710 11.322 12.859 1.00 0.00 C ATOM 0 HA PRO A 48 -1.659 14.230 14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.317 12.091 16.066 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.858 12.368 15.280 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.665 10.448 14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.398 10.184 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.070 10.704 12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.725 11.226 12.473 1.00 0.00 H new ATOM 809 N SER A 49 0.621 14.768 14.874 1.00 0.00 N ATOM 810 CA SER A 49 1.972 15.133 15.282 1.00 0.00 C ATOM 811 C SER A 49 2.157 14.939 16.784 1.00 0.00 C ATOM 812 O SER A 49 3.105 14.291 17.226 1.00 0.00 O ATOM 813 CB SER A 49 2.267 16.586 14.904 1.00 0.00 C ATOM 814 OG SER A 49 1.323 17.467 15.488 1.00 0.00 O ATOM 0 H SER A 49 -0.016 15.558 14.769 1.00 0.00 H new ATOM 0 HA SER A 49 2.671 14.480 14.760 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.271 16.854 15.233 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.247 16.694 13.820 1.00 0.00 H new ATOM 0 HG SER A 49 1.535 18.389 15.233 1.00 0.00 H new ATOM 820 N SER A 50 1.242 15.507 17.565 1.00 0.00 N ATOM 821 CA SER A 50 1.305 15.401 19.018 1.00 0.00 C ATOM 822 C SER A 50 1.471 13.947 19.449 1.00 0.00 C ATOM 823 O SER A 50 2.337 13.623 20.260 1.00 0.00 O ATOM 824 CB SER A 50 0.042 15.991 19.648 1.00 0.00 C ATOM 825 OG SER A 50 0.190 17.381 19.881 1.00 0.00 O ATOM 0 H SER A 50 0.449 16.045 17.215 1.00 0.00 H new ATOM 0 HA SER A 50 2.172 15.965 19.362 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.811 15.818 18.991 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.171 15.482 20.588 1.00 0.00 H new ATOM 0 HG SER A 50 -0.631 17.735 20.282 1.00 0.00 H new ATOM 831 N GLY A 51 0.632 13.073 18.900 1.00 0.00 N ATOM 832 CA GLY A 51 0.701 11.664 19.240 1.00 0.00 C ATOM 833 C GLY A 51 -0.391 11.246 20.204 1.00 0.00 C ATOM 834 O GLY A 51 -0.135 10.520 21.165 1.00 0.00 O ATOM 0 H GLY A 51 -0.094 13.316 18.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.625 11.070 18.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.674 11.447 19.682 1.00 0.00 H new TER 838 GLY A 51