USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 19 MET CE :methyl -126:sc= -1.52 (180deg=-1.9) USER MOD Set 1.2: A 42 MET CE :methyl 140:sc= -1.28 (180deg=-1.33) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.00764 (180deg=-0.345) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -42:sc= 0.293 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.65) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -5.75! C(o=-5.4!,f=-12!) USER MOD Single : A 59 SER OG : rot 58:sc= 1.26 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.428 3.573 5.874 1.00 0.00 N ATOM 2 CA GLY A 1 9.175 3.768 7.105 1.00 0.00 C ATOM 3 C GLY A 1 10.652 4.040 6.813 1.00 0.00 C ATOM 4 O GLY A 1 11.249 3.388 5.957 1.00 0.00 O ATOM 0 H1 GLY A 1 7.764 2.782 5.993 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.898 4.439 5.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.087 3.359 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.751 4.603 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.082 2.883 7.735 1.00 0.00 H new ATOM 8 N SER A 2 11.199 5.003 7.540 1.00 0.00 N ATOM 9 CA SER A 2 12.595 5.369 7.370 1.00 0.00 C ATOM 10 C SER A 2 13.488 4.404 8.152 1.00 0.00 C ATOM 11 O SER A 2 13.346 4.266 9.366 1.00 0.00 O ATOM 12 CB SER A 2 12.846 6.809 7.822 1.00 0.00 C ATOM 13 OG SER A 2 12.454 7.755 6.831 1.00 0.00 O ATOM 0 H SER A 2 10.700 5.541 8.249 1.00 0.00 H new ATOM 0 HA SER A 2 12.839 5.302 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.297 7.001 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.904 6.939 8.049 1.00 0.00 H new ATOM 0 HG SER A 2 12.628 8.662 7.158 1.00 0.00 H new ATOM 19 N SER A 3 14.389 3.760 7.424 1.00 0.00 N ATOM 20 CA SER A 3 15.305 2.812 8.035 1.00 0.00 C ATOM 21 C SER A 3 16.698 2.961 7.421 1.00 0.00 C ATOM 22 O SER A 3 16.900 2.652 6.247 1.00 0.00 O ATOM 23 CB SER A 3 14.803 1.376 7.869 1.00 0.00 C ATOM 24 OG SER A 3 15.582 0.448 8.618 1.00 0.00 O ATOM 0 H SER A 3 14.504 3.876 6.417 1.00 0.00 H new ATOM 0 HA SER A 3 15.360 3.028 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.763 1.317 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.829 1.103 6.814 1.00 0.00 H new ATOM 0 HG SER A 3 15.229 -0.457 8.487 1.00 0.00 H new ATOM 30 N GLY A 4 17.624 3.435 8.242 1.00 0.00 N ATOM 31 CA GLY A 4 18.992 3.629 7.794 1.00 0.00 C ATOM 32 C GLY A 4 19.031 4.359 6.450 1.00 0.00 C ATOM 33 O GLY A 4 17.995 4.779 5.937 1.00 0.00 O ATOM 0 H GLY A 4 17.453 3.690 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.545 4.202 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.489 2.663 7.702 1.00 0.00 H new ATOM 37 N SER A 5 20.238 4.488 5.918 1.00 0.00 N ATOM 38 CA SER A 5 20.426 5.160 4.643 1.00 0.00 C ATOM 39 C SER A 5 21.656 4.595 3.930 1.00 0.00 C ATOM 40 O SER A 5 22.610 4.165 4.576 1.00 0.00 O ATOM 41 CB SER A 5 20.570 6.671 4.833 1.00 0.00 C ATOM 42 OG SER A 5 21.834 7.021 5.391 1.00 0.00 O ATOM 0 H SER A 5 21.095 4.139 6.347 1.00 0.00 H new ATOM 0 HA SER A 5 19.544 4.981 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.447 7.171 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.774 7.032 5.484 1.00 0.00 H new ATOM 0 HG SER A 5 21.888 7.994 5.495 1.00 0.00 H new ATOM 48 N SER A 6 21.593 4.613 2.606 1.00 0.00 N ATOM 49 CA SER A 6 22.690 4.108 1.798 1.00 0.00 C ATOM 50 C SER A 6 22.899 2.618 2.074 1.00 0.00 C ATOM 51 O SER A 6 22.421 2.096 3.080 1.00 0.00 O ATOM 52 CB SER A 6 23.979 4.885 2.072 1.00 0.00 C ATOM 53 OG SER A 6 24.015 6.125 1.370 1.00 0.00 O ATOM 0 H SER A 6 20.800 4.969 2.073 1.00 0.00 H new ATOM 0 HA SER A 6 22.433 4.244 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.069 5.072 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.837 4.279 1.781 1.00 0.00 H new ATOM 0 HG SER A 6 24.853 6.591 1.573 1.00 0.00 H new ATOM 59 N GLY A 7 23.615 1.975 1.163 1.00 0.00 N ATOM 60 CA GLY A 7 23.894 0.555 1.295 1.00 0.00 C ATOM 61 C GLY A 7 23.890 -0.134 -0.071 1.00 0.00 C ATOM 62 O GLY A 7 24.018 0.524 -1.102 1.00 0.00 O ATOM 0 H GLY A 7 24.010 2.412 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.863 0.414 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.148 0.093 1.942 1.00 0.00 H new ATOM 66 N ALA A 8 23.741 -1.450 -0.033 1.00 0.00 N ATOM 67 CA ALA A 8 23.718 -2.236 -1.255 1.00 0.00 C ATOM 68 C ALA A 8 22.697 -3.366 -1.111 1.00 0.00 C ATOM 69 O ALA A 8 22.842 -4.231 -0.249 1.00 0.00 O ATOM 70 CB ALA A 8 25.126 -2.756 -1.554 1.00 0.00 C ATOM 0 H ALA A 8 23.635 -1.992 0.825 1.00 0.00 H new ATOM 0 HA ALA A 8 23.411 -1.621 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 8 25.109 -3.346 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 8 25.807 -1.913 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 8 25.467 -3.380 -0.728 1.00 0.00 H new ATOM 76 N GLU A 9 21.688 -3.322 -1.968 1.00 0.00 N ATOM 77 CA GLU A 9 20.644 -4.332 -1.947 1.00 0.00 C ATOM 78 C GLU A 9 20.346 -4.758 -0.508 1.00 0.00 C ATOM 79 O GLU A 9 20.848 -5.780 -0.043 1.00 0.00 O ATOM 80 CB GLU A 9 21.029 -5.537 -2.807 1.00 0.00 C ATOM 81 CG GLU A 9 22.438 -6.026 -2.467 1.00 0.00 C ATOM 82 CD GLU A 9 22.712 -7.392 -3.099 1.00 0.00 C ATOM 83 OE1 GLU A 9 21.764 -8.206 -3.124 1.00 0.00 O ATOM 84 OE2 GLU A 9 23.864 -7.591 -3.542 1.00 0.00 O ATOM 0 H GLU A 9 21.571 -2.603 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 9 19.738 -3.899 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 9 20.313 -6.344 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.979 -5.266 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.173 -5.303 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.553 -6.092 -1.385 1.00 0.00 H new ATOM 91 N LEU A 10 19.532 -3.952 0.158 1.00 0.00 N ATOM 92 CA LEU A 10 19.162 -4.233 1.535 1.00 0.00 C ATOM 93 C LEU A 10 18.327 -5.514 1.583 1.00 0.00 C ATOM 94 O LEU A 10 18.752 -6.515 2.157 1.00 0.00 O ATOM 95 CB LEU A 10 18.467 -3.022 2.160 1.00 0.00 C ATOM 96 CG LEU A 10 19.377 -1.857 2.558 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.661 -0.950 1.359 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.790 -1.081 3.738 1.00 0.00 C ATOM 0 H LEU A 10 19.118 -3.104 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 10 20.051 -4.409 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.723 -2.651 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 10 17.928 -3.355 3.047 1.00 0.00 H new ATOM 0 HG LEU A 10 20.333 -2.266 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.309 -0.130 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.153 -1.526 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.723 -0.546 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.456 -0.259 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.814 -0.683 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.681 -1.747 4.594 1.00 0.00 H new ATOM 110 N THR A 11 17.153 -5.440 0.972 1.00 0.00 N ATOM 111 CA THR A 11 16.255 -6.582 0.938 1.00 0.00 C ATOM 112 C THR A 11 15.297 -6.471 -0.250 1.00 0.00 C ATOM 113 O THR A 11 15.170 -5.406 -0.853 1.00 0.00 O ATOM 114 CB THR A 11 15.541 -6.662 2.289 1.00 0.00 C ATOM 115 OG1 THR A 11 15.008 -5.354 2.478 1.00 0.00 O ATOM 116 CG2 THR A 11 16.515 -6.840 3.455 1.00 0.00 C ATOM 0 H THR A 11 16.803 -4.608 0.497 1.00 0.00 H new ATOM 0 HA THR A 11 16.803 -7.512 0.788 1.00 0.00 H new ATOM 0 HB THR A 11 14.833 -7.491 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.527 -5.317 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.957 -6.891 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.081 -7.762 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.202 -5.994 3.488 1.00 0.00 H new ATOM 124 N ALA A 12 14.647 -7.585 -0.551 1.00 0.00 N ATOM 125 CA ALA A 12 13.704 -7.627 -1.656 1.00 0.00 C ATOM 126 C ALA A 12 12.723 -6.460 -1.527 1.00 0.00 C ATOM 127 O ALA A 12 12.217 -5.956 -2.529 1.00 0.00 O ATOM 128 CB ALA A 12 12.997 -8.984 -1.673 1.00 0.00 C ATOM 0 H ALA A 12 14.755 -8.466 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 12 14.223 -7.518 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.290 -9.015 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.735 -9.777 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.462 -9.127 -0.734 1.00 0.00 H new ATOM 134 N LEU A 13 12.483 -6.063 -0.286 1.00 0.00 N ATOM 135 CA LEU A 13 11.572 -4.965 -0.014 1.00 0.00 C ATOM 136 C LEU A 13 12.244 -3.644 -0.395 1.00 0.00 C ATOM 137 O LEU A 13 11.837 -2.991 -1.354 1.00 0.00 O ATOM 138 CB LEU A 13 11.092 -5.014 1.438 1.00 0.00 C ATOM 139 CG LEU A 13 9.583 -4.876 1.651 1.00 0.00 C ATOM 140 CD1 LEU A 13 9.006 -3.759 0.779 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.872 -6.211 1.417 1.00 0.00 C ATOM 0 H LEU A 13 12.904 -6.483 0.543 1.00 0.00 H new ATOM 0 HA LEU A 13 10.674 -5.055 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.416 -5.959 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.591 -4.219 1.992 1.00 0.00 H new ATOM 0 HG LEU A 13 9.409 -4.596 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.932 -3.682 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.483 -2.813 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.191 -3.985 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.801 -6.085 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.052 -6.545 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.257 -6.955 2.114 1.00 0.00 H new ATOM 153 N GLU A 14 13.261 -3.291 0.377 1.00 0.00 N ATOM 154 CA GLU A 14 13.993 -2.059 0.133 1.00 0.00 C ATOM 155 C GLU A 14 14.310 -1.917 -1.358 1.00 0.00 C ATOM 156 O GLU A 14 14.029 -0.882 -1.960 1.00 0.00 O ATOM 157 CB GLU A 14 15.271 -2.005 0.973 1.00 0.00 C ATOM 158 CG GLU A 14 14.951 -1.699 2.437 1.00 0.00 C ATOM 159 CD GLU A 14 14.701 -0.204 2.643 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.656 0.569 2.412 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.559 0.133 3.026 1.00 0.00 O ATOM 0 H GLU A 14 13.596 -3.836 1.172 1.00 0.00 H new ATOM 0 HA GLU A 14 13.365 -1.220 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.797 -2.957 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.940 -1.241 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.072 -2.264 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.778 -2.024 3.069 1.00 0.00 H new ATOM 168 N SER A 15 14.891 -2.973 -1.909 1.00 0.00 N ATOM 169 CA SER A 15 15.249 -2.979 -3.318 1.00 0.00 C ATOM 170 C SER A 15 14.154 -2.296 -4.139 1.00 0.00 C ATOM 171 O SER A 15 14.420 -1.331 -4.855 1.00 0.00 O ATOM 172 CB SER A 15 15.479 -4.405 -3.822 1.00 0.00 C ATOM 173 OG SER A 15 16.826 -4.614 -4.237 1.00 0.00 O ATOM 0 H SER A 15 15.123 -3.830 -1.406 1.00 0.00 H new ATOM 0 HA SER A 15 16.181 -2.426 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.229 -5.113 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.807 -4.607 -4.656 1.00 0.00 H new ATOM 0 HG SER A 15 16.932 -5.537 -4.550 1.00 0.00 H new ATOM 179 N LEU A 16 12.945 -2.822 -4.008 1.00 0.00 N ATOM 180 CA LEU A 16 11.808 -2.276 -4.730 1.00 0.00 C ATOM 181 C LEU A 16 11.622 -0.808 -4.341 1.00 0.00 C ATOM 182 O LEU A 16 11.426 0.047 -5.204 1.00 0.00 O ATOM 183 CB LEU A 16 10.564 -3.136 -4.500 1.00 0.00 C ATOM 184 CG LEU A 16 10.587 -4.530 -5.129 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.210 -5.192 -5.045 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.111 -4.476 -6.565 1.00 0.00 C ATOM 0 H LEU A 16 12.728 -3.621 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 16 11.990 -2.302 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.416 -3.246 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.698 -2.599 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 16 11.278 -5.151 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.254 -6.182 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.914 -5.285 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.480 -4.581 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.117 -5.480 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.465 -3.834 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.125 -4.075 -6.568 1.00 0.00 H new ATOM 198 N ILE A 17 11.688 -0.560 -3.041 1.00 0.00 N ATOM 199 CA ILE A 17 11.529 0.790 -2.528 1.00 0.00 C ATOM 200 C ILE A 17 12.531 1.716 -3.220 1.00 0.00 C ATOM 201 O ILE A 17 12.275 2.909 -3.375 1.00 0.00 O ATOM 202 CB ILE A 17 11.635 0.799 -1.002 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.443 0.083 -0.365 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.797 2.225 -0.472 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.715 -0.233 1.107 1.00 0.00 C ATOM 0 H ILE A 17 11.849 -1.271 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 17 10.533 1.170 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 17 12.531 0.246 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.553 0.707 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.237 -0.840 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.870 2.203 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.703 2.667 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.934 2.823 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.852 -0.742 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.591 -0.877 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.896 0.694 1.651 1.00 0.00 H new ATOM 217 N GLU A 18 13.652 1.131 -3.617 1.00 0.00 N ATOM 218 CA GLU A 18 14.694 1.889 -4.289 1.00 0.00 C ATOM 219 C GLU A 18 14.343 2.080 -5.766 1.00 0.00 C ATOM 220 O GLU A 18 14.768 3.052 -6.388 1.00 0.00 O ATOM 221 CB GLU A 18 16.054 1.207 -4.133 1.00 0.00 C ATOM 222 CG GLU A 18 16.992 2.047 -3.263 1.00 0.00 C ATOM 223 CD GLU A 18 18.074 2.717 -4.112 1.00 0.00 C ATOM 224 OE1 GLU A 18 17.698 3.310 -5.146 1.00 0.00 O ATOM 225 OE2 GLU A 18 19.253 2.621 -3.707 1.00 0.00 O ATOM 0 H GLU A 18 13.861 0.141 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 18 14.761 2.871 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.922 0.222 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.503 1.053 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.418 2.807 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.458 1.414 -2.508 1.00 0.00 H new ATOM 232 N MET A 19 13.570 1.137 -6.285 1.00 0.00 N ATOM 233 CA MET A 19 13.158 1.189 -7.677 1.00 0.00 C ATOM 234 C MET A 19 12.179 2.341 -7.916 1.00 0.00 C ATOM 235 O MET A 19 11.957 2.746 -9.056 1.00 0.00 O ATOM 236 CB MET A 19 12.493 -0.134 -8.063 1.00 0.00 C ATOM 237 CG MET A 19 13.473 -1.043 -8.806 1.00 0.00 C ATOM 238 SD MET A 19 12.581 -2.151 -9.884 1.00 0.00 S ATOM 239 CE MET A 19 13.310 -3.707 -9.402 1.00 0.00 C ATOM 0 H MET A 19 13.218 0.332 -5.766 1.00 0.00 H new ATOM 0 HA MET A 19 14.042 1.354 -8.292 1.00 0.00 H new ATOM 0 HB2 MET A 19 12.131 -0.638 -7.167 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.624 0.061 -8.692 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.171 -0.441 -9.387 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.064 -1.615 -8.091 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.695 -4.218 -10.285 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.127 -3.525 -8.703 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.555 -4.330 -8.923 1.00 0.00 H new ATOM 249 N GLY A 20 11.621 2.837 -6.821 1.00 0.00 N ATOM 250 CA GLY A 20 10.671 3.934 -6.897 1.00 0.00 C ATOM 251 C GLY A 20 9.284 3.493 -6.425 1.00 0.00 C ATOM 252 O GLY A 20 8.393 4.321 -6.247 1.00 0.00 O ATOM 0 H GLY A 20 11.809 2.500 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.020 4.765 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.611 4.297 -7.923 1.00 0.00 H new ATOM 256 N PHE A 21 9.146 2.189 -6.236 1.00 0.00 N ATOM 257 CA PHE A 21 7.883 1.628 -5.789 1.00 0.00 C ATOM 258 C PHE A 21 7.621 1.968 -4.320 1.00 0.00 C ATOM 259 O PHE A 21 8.555 2.063 -3.525 1.00 0.00 O ATOM 260 CB PHE A 21 7.991 0.109 -5.936 1.00 0.00 C ATOM 261 CG PHE A 21 7.913 -0.383 -7.382 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.718 -0.403 -8.031 1.00 0.00 C ATOM 263 CD2 PHE A 21 9.040 -0.801 -8.020 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.646 -0.860 -9.373 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.968 -1.258 -9.363 1.00 0.00 C ATOM 266 CZ PHE A 21 7.772 -1.277 -10.011 1.00 0.00 C ATOM 0 H PHE A 21 9.888 1.505 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 21 7.064 2.037 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.934 -0.222 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.193 -0.359 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.823 -0.071 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.989 -0.785 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.697 -0.876 -9.887 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.862 -1.590 -9.869 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.717 -1.623 -11.032 1.00 0.00 H new ATOM 276 N PRO A 22 6.312 2.148 -3.996 1.00 0.00 N ATOM 277 CA PRO A 22 5.916 2.476 -2.637 1.00 0.00 C ATOM 278 C PRO A 22 6.008 1.250 -1.728 1.00 0.00 C ATOM 279 O PRO A 22 5.669 0.141 -2.138 1.00 0.00 O ATOM 280 CB PRO A 22 4.502 3.019 -2.761 1.00 0.00 C ATOM 281 CG PRO A 22 3.989 2.545 -4.110 1.00 0.00 C ATOM 282 CD PRO A 22 5.180 2.044 -4.912 1.00 0.00 C ATOM 0 HA PRO A 22 6.572 3.212 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.870 2.651 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.495 4.107 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.254 1.750 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.490 3.359 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.031 1.016 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.337 2.647 -5.806 1.00 0.00 H new ATOM 290 N ARG A 23 6.470 1.490 -0.509 1.00 0.00 N ATOM 291 CA ARG A 23 6.611 0.418 0.462 1.00 0.00 C ATOM 292 C ARG A 23 5.374 -0.482 0.444 1.00 0.00 C ATOM 293 O ARG A 23 5.474 -1.676 0.168 1.00 0.00 O ATOM 294 CB ARG A 23 6.807 0.976 1.873 1.00 0.00 C ATOM 295 CG ARG A 23 7.451 -0.066 2.790 1.00 0.00 C ATOM 296 CD ARG A 23 8.455 0.588 3.742 1.00 0.00 C ATOM 297 NE ARG A 23 9.113 -0.446 4.571 1.00 0.00 N ATOM 298 CZ ARG A 23 8.502 -1.124 5.552 1.00 0.00 C ATOM 299 NH1 ARG A 23 7.214 -0.880 5.833 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.178 -2.044 6.253 1.00 0.00 N ATOM 0 H ARG A 23 6.751 2.411 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 23 7.491 -0.164 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.434 1.867 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.845 1.282 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.679 -0.577 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.954 -0.823 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.203 1.139 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.946 1.309 4.382 1.00 0.00 H new ATOM 0 HE ARG A 23 10.093 -0.656 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.700 -0.179 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.748 -1.396 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.158 -2.229 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.712 -2.560 7.000 1.00 0.00 H new ATOM 314 N GLY A 24 4.235 0.127 0.740 1.00 0.00 N ATOM 315 CA GLY A 24 2.979 -0.604 0.761 1.00 0.00 C ATOM 316 C GLY A 24 2.928 -1.639 -0.365 1.00 0.00 C ATOM 317 O GLY A 24 2.860 -2.840 -0.107 1.00 0.00 O ATOM 0 H GLY A 24 4.156 1.118 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.860 -1.102 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.147 0.092 0.658 1.00 0.00 H new ATOM 321 N ARG A 25 2.963 -1.135 -1.590 1.00 0.00 N ATOM 322 CA ARG A 25 2.922 -2.001 -2.756 1.00 0.00 C ATOM 323 C ARG A 25 3.979 -3.101 -2.639 1.00 0.00 C ATOM 324 O ARG A 25 3.644 -4.275 -2.485 1.00 0.00 O ATOM 325 CB ARG A 25 3.164 -1.206 -4.041 1.00 0.00 C ATOM 326 CG ARG A 25 1.874 -1.069 -4.852 1.00 0.00 C ATOM 327 CD ARG A 25 2.109 -0.245 -6.120 1.00 0.00 C ATOM 328 NE ARG A 25 1.279 0.980 -6.089 1.00 0.00 N ATOM 329 CZ ARG A 25 1.000 1.725 -7.167 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.482 1.375 -8.367 1.00 0.00 N ATOM 331 NH2 ARG A 25 0.238 2.821 -7.045 1.00 0.00 N ATOM 0 H ARG A 25 3.019 -0.138 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 25 1.930 -2.450 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.549 -0.217 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.925 -1.703 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.502 -2.058 -5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.105 -0.594 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.163 0.022 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.863 -0.839 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 25 0.896 1.275 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.062 0.541 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.269 1.943 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.129 3.088 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.025 3.388 -7.866 1.00 0.00 H new ATOM 345 N ALA A 26 5.233 -2.683 -2.716 1.00 0.00 N ATOM 346 CA ALA A 26 6.341 -3.618 -2.620 1.00 0.00 C ATOM 347 C ALA A 26 6.033 -4.658 -1.541 1.00 0.00 C ATOM 348 O ALA A 26 5.942 -5.850 -1.831 1.00 0.00 O ATOM 349 CB ALA A 26 7.634 -2.851 -2.336 1.00 0.00 C ATOM 0 H ALA A 26 5.507 -1.709 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 26 6.477 -4.149 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.465 -3.553 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.824 -2.146 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.536 -2.307 -1.396 1.00 0.00 H new ATOM 355 N GLU A 27 5.880 -4.170 -0.319 1.00 0.00 N ATOM 356 CA GLU A 27 5.584 -5.043 0.804 1.00 0.00 C ATOM 357 C GLU A 27 4.417 -5.971 0.462 1.00 0.00 C ATOM 358 O GLU A 27 4.555 -7.192 0.509 1.00 0.00 O ATOM 359 CB GLU A 27 5.287 -4.231 2.066 1.00 0.00 C ATOM 360 CG GLU A 27 6.560 -3.585 2.616 1.00 0.00 C ATOM 361 CD GLU A 27 6.367 -3.139 4.066 1.00 0.00 C ATOM 362 OE1 GLU A 27 5.285 -2.580 4.349 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.306 -3.366 4.860 1.00 0.00 O ATOM 0 H GLU A 27 5.955 -3.181 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 27 6.463 -5.656 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.551 -3.459 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.847 -4.879 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.386 -4.294 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.831 -2.727 2.001 1.00 0.00 H new ATOM 370 N LYS A 28 3.293 -5.355 0.124 1.00 0.00 N ATOM 371 CA LYS A 28 2.102 -6.111 -0.226 1.00 0.00 C ATOM 372 C LYS A 28 2.474 -7.206 -1.228 1.00 0.00 C ATOM 373 O LYS A 28 2.311 -8.392 -0.946 1.00 0.00 O ATOM 374 CB LYS A 28 0.999 -5.174 -0.722 1.00 0.00 C ATOM 375 CG LYS A 28 -0.375 -5.840 -0.616 1.00 0.00 C ATOM 376 CD LYS A 28 -1.297 -5.376 -1.746 1.00 0.00 C ATOM 377 CE LYS A 28 -2.676 -6.027 -1.630 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.732 -4.994 -1.553 1.00 0.00 N ATOM 0 H LYS A 28 3.182 -4.342 0.085 1.00 0.00 H new ATOM 0 HA LYS A 28 1.695 -6.608 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.008 -4.255 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.193 -4.894 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.262 -6.923 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.826 -5.601 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.399 -4.291 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.852 -5.627 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.853 -6.673 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.713 -6.660 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.662 -5.453 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.571 -4.394 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.707 -4.407 -2.411 1.00 0.00 H new ATOM 392 N ALA A 29 2.968 -6.769 -2.377 1.00 0.00 N ATOM 393 CA ALA A 29 3.365 -7.697 -3.422 1.00 0.00 C ATOM 394 C ALA A 29 4.294 -8.759 -2.829 1.00 0.00 C ATOM 395 O ALA A 29 3.947 -9.938 -2.786 1.00 0.00 O ATOM 396 CB ALA A 29 4.020 -6.925 -4.569 1.00 0.00 C ATOM 0 H ALA A 29 3.102 -5.784 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 29 2.494 -8.211 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.318 -7.621 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.310 -6.204 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.899 -6.399 -4.198 1.00 0.00 H new ATOM 402 N LEU A 30 5.457 -8.303 -2.388 1.00 0.00 N ATOM 403 CA LEU A 30 6.438 -9.199 -1.800 1.00 0.00 C ATOM 404 C LEU A 30 5.721 -10.227 -0.922 1.00 0.00 C ATOM 405 O LEU A 30 5.960 -11.428 -1.046 1.00 0.00 O ATOM 406 CB LEU A 30 7.514 -8.403 -1.059 1.00 0.00 C ATOM 407 CG LEU A 30 8.843 -8.223 -1.797 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.283 -9.530 -2.459 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.761 -7.072 -2.801 1.00 0.00 C ATOM 0 H LEU A 30 5.742 -7.324 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 30 6.963 -9.753 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.113 -7.416 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.713 -8.897 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 30 9.607 -7.959 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.230 -9.375 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.408 -10.300 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.526 -9.848 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.718 -6.966 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.981 -7.282 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.525 -6.147 -2.275 1.00 0.00 H new ATOM 421 N ALA A 31 4.857 -9.720 -0.056 1.00 0.00 N ATOM 422 CA ALA A 31 4.104 -10.579 0.841 1.00 0.00 C ATOM 423 C ALA A 31 3.239 -11.535 0.018 1.00 0.00 C ATOM 424 O ALA A 31 3.334 -12.752 0.170 1.00 0.00 O ATOM 425 CB ALA A 31 3.276 -9.719 1.798 1.00 0.00 C ATOM 0 H ALA A 31 4.661 -8.724 0.044 1.00 0.00 H new ATOM 0 HA ALA A 31 4.777 -11.184 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.711 -10.364 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.940 -9.080 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.586 -9.099 1.226 1.00 0.00 H new ATOM 431 N LEU A 32 2.413 -10.948 -0.836 1.00 0.00 N ATOM 432 CA LEU A 32 1.531 -11.732 -1.684 1.00 0.00 C ATOM 433 C LEU A 32 2.288 -12.955 -2.207 1.00 0.00 C ATOM 434 O LEU A 32 1.873 -14.090 -1.980 1.00 0.00 O ATOM 435 CB LEU A 32 0.934 -10.859 -2.789 1.00 0.00 C ATOM 436 CG LEU A 32 -0.276 -10.010 -2.393 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.136 -8.579 -2.914 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.579 -10.664 -2.856 1.00 0.00 C ATOM 0 H LEU A 32 2.336 -9.938 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 32 0.682 -12.103 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.714 -10.194 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.644 -11.505 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.313 -9.954 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.009 -7.997 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.762 -8.125 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.060 -8.593 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.423 -10.041 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.567 -10.771 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.676 -11.647 -2.396 1.00 0.00 H new ATOM 450 N THR A 33 3.385 -12.680 -2.898 1.00 0.00 N ATOM 451 CA THR A 33 4.203 -13.744 -3.456 1.00 0.00 C ATOM 452 C THR A 33 4.768 -14.624 -2.339 1.00 0.00 C ATOM 453 O THR A 33 4.729 -15.850 -2.430 1.00 0.00 O ATOM 454 CB THR A 33 5.283 -13.101 -4.328 1.00 0.00 C ATOM 455 OG1 THR A 33 6.129 -12.431 -3.397 1.00 0.00 O ATOM 456 CG2 THR A 33 4.733 -11.976 -5.208 1.00 0.00 C ATOM 0 H THR A 33 3.726 -11.737 -3.084 1.00 0.00 H new ATOM 0 HA THR A 33 3.611 -14.410 -4.084 1.00 0.00 H new ATOM 0 HB THR A 33 5.741 -13.863 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.580 -11.984 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.541 -11.554 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.962 -12.374 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.304 -11.197 -4.577 1.00 0.00 H new ATOM 464 N GLY A 34 5.280 -13.963 -1.311 1.00 0.00 N ATOM 465 CA GLY A 34 5.853 -14.670 -0.178 1.00 0.00 C ATOM 466 C GLY A 34 7.335 -14.330 -0.011 1.00 0.00 C ATOM 467 O GLY A 34 8.158 -15.217 0.213 1.00 0.00 O ATOM 0 H GLY A 34 5.310 -12.946 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.311 -14.407 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.737 -15.745 -0.319 1.00 0.00 H new ATOM 471 N ASN A 35 7.631 -13.044 -0.127 1.00 0.00 N ATOM 472 CA ASN A 35 9.000 -12.576 0.008 1.00 0.00 C ATOM 473 C ASN A 35 9.942 -13.561 -0.687 1.00 0.00 C ATOM 474 O ASN A 35 10.790 -14.175 -0.041 1.00 0.00 O ATOM 475 CB ASN A 35 9.409 -12.488 1.479 1.00 0.00 C ATOM 476 CG ASN A 35 8.968 -11.158 2.093 1.00 0.00 C ATOM 477 OD1 ASN A 35 9.759 -10.259 2.327 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.663 -11.082 2.339 1.00 0.00 N ATOM 0 H ASN A 35 6.946 -12.311 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 35 9.064 -11.586 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.964 -13.314 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.491 -12.592 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.270 -10.234 2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.056 -11.871 2.119 1.00 0.00 H new ATOM 485 N GLN A 36 9.762 -13.682 -1.994 1.00 0.00 N ATOM 486 CA GLN A 36 10.585 -14.582 -2.783 1.00 0.00 C ATOM 487 C GLN A 36 11.699 -13.804 -3.486 1.00 0.00 C ATOM 488 O GLN A 36 12.799 -14.322 -3.676 1.00 0.00 O ATOM 489 CB GLN A 36 9.737 -15.357 -3.793 1.00 0.00 C ATOM 490 CG GLN A 36 8.840 -16.377 -3.088 1.00 0.00 C ATOM 491 CD GLN A 36 9.071 -17.785 -3.640 1.00 0.00 C ATOM 492 OE1 GLN A 36 10.174 -18.167 -3.995 1.00 0.00 O ATOM 493 NE2 GLN A 36 7.972 -18.532 -3.694 1.00 0.00 N ATOM 0 H GLN A 36 9.058 -13.171 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 36 11.043 -15.307 -2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.123 -14.663 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.387 -15.868 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.042 -16.365 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.794 -16.098 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.080 -18.150 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.021 -19.487 -4.049 1.00 0.00 H new ATOM 502 N GLY A 37 11.377 -12.572 -3.853 1.00 0.00 N ATOM 503 CA GLY A 37 12.337 -11.717 -4.530 1.00 0.00 C ATOM 504 C GLY A 37 11.628 -10.617 -5.322 1.00 0.00 C ATOM 505 O GLY A 37 10.412 -10.460 -5.222 1.00 0.00 O ATOM 0 H GLY A 37 10.464 -12.146 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.009 -11.268 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.952 -12.315 -5.202 1.00 0.00 H new ATOM 509 N ILE A 38 12.418 -9.883 -6.092 1.00 0.00 N ATOM 510 CA ILE A 38 11.881 -8.802 -6.901 1.00 0.00 C ATOM 511 C ILE A 38 11.074 -9.390 -8.060 1.00 0.00 C ATOM 512 O ILE A 38 9.857 -9.220 -8.122 1.00 0.00 O ATOM 513 CB ILE A 38 13.001 -7.860 -7.347 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.532 -7.041 -6.169 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.540 -6.969 -8.503 1.00 0.00 C ATOM 516 CD1 ILE A 38 14.595 -6.042 -6.629 1.00 0.00 C ATOM 0 H ILE A 38 13.426 -10.016 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 38 11.196 -8.190 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 38 13.829 -8.465 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.709 -6.508 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.956 -7.709 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.355 -6.309 -8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.250 -7.592 -9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.687 -6.371 -8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.955 -5.473 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.427 -6.580 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.161 -5.360 -7.360 1.00 0.00 H new ATOM 528 N GLU A 39 11.783 -10.069 -8.949 1.00 0.00 N ATOM 529 CA GLU A 39 11.148 -10.683 -10.102 1.00 0.00 C ATOM 530 C GLU A 39 9.805 -11.298 -9.703 1.00 0.00 C ATOM 531 O GLU A 39 8.788 -11.050 -10.350 1.00 0.00 O ATOM 532 CB GLU A 39 12.063 -11.730 -10.740 1.00 0.00 C ATOM 533 CG GLU A 39 12.902 -11.115 -11.861 1.00 0.00 C ATOM 534 CD GLU A 39 12.621 -11.805 -13.198 1.00 0.00 C ATOM 535 OE1 GLU A 39 11.483 -11.645 -13.690 1.00 0.00 O ATOM 536 OE2 GLU A 39 13.550 -12.476 -13.697 1.00 0.00 O ATOM 0 H GLU A 39 12.792 -10.208 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 39 10.964 -9.908 -10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.720 -12.155 -9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.463 -12.549 -11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.681 -10.051 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.961 -11.203 -11.618 1.00 0.00 H new ATOM 543 N ALA A 40 9.845 -12.089 -8.641 1.00 0.00 N ATOM 544 CA ALA A 40 8.643 -12.741 -8.148 1.00 0.00 C ATOM 545 C ALA A 40 7.585 -11.682 -7.834 1.00 0.00 C ATOM 546 O ALA A 40 6.436 -11.803 -8.257 1.00 0.00 O ATOM 547 CB ALA A 40 8.991 -13.597 -6.929 1.00 0.00 C ATOM 0 H ALA A 40 10.690 -12.293 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 40 8.228 -13.406 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.090 -14.086 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.724 -14.352 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.407 -12.963 -6.146 1.00 0.00 H new ATOM 553 N ALA A 41 8.010 -10.668 -7.095 1.00 0.00 N ATOM 554 CA ALA A 41 7.113 -9.588 -6.720 1.00 0.00 C ATOM 555 C ALA A 41 6.642 -8.860 -7.981 1.00 0.00 C ATOM 556 O ALA A 41 5.447 -8.826 -8.273 1.00 0.00 O ATOM 557 CB ALA A 41 7.821 -8.653 -5.738 1.00 0.00 C ATOM 0 H ALA A 41 8.963 -10.571 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 41 6.230 -9.981 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.148 -7.843 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.109 -9.211 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.712 -8.237 -6.209 1.00 0.00 H new ATOM 563 N MET A 42 7.605 -8.296 -8.695 1.00 0.00 N ATOM 564 CA MET A 42 7.304 -7.572 -9.917 1.00 0.00 C ATOM 565 C MET A 42 6.243 -8.304 -10.742 1.00 0.00 C ATOM 566 O MET A 42 5.286 -7.691 -11.212 1.00 0.00 O ATOM 567 CB MET A 42 8.580 -7.418 -10.748 1.00 0.00 C ATOM 568 CG MET A 42 9.175 -6.018 -10.586 1.00 0.00 C ATOM 569 SD MET A 42 9.631 -5.361 -12.182 1.00 0.00 S ATOM 570 CE MET A 42 11.283 -4.788 -11.819 1.00 0.00 C ATOM 0 H MET A 42 8.595 -8.326 -8.450 1.00 0.00 H new ATOM 0 HA MET A 42 6.914 -6.590 -9.648 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.311 -8.165 -10.440 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.358 -7.603 -11.799 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.451 -5.360 -10.106 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.050 -6.058 -9.937 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.939 -5.011 -12.661 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.265 -3.712 -11.648 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.655 -5.291 -10.927 1.00 0.00 H new ATOM 580 N ASP A 43 6.449 -9.604 -10.891 1.00 0.00 N ATOM 581 CA ASP A 43 5.522 -10.426 -11.651 1.00 0.00 C ATOM 582 C ASP A 43 4.094 -10.140 -11.184 1.00 0.00 C ATOM 583 O ASP A 43 3.179 -10.038 -12.000 1.00 0.00 O ATOM 584 CB ASP A 43 5.802 -11.914 -11.434 1.00 0.00 C ATOM 585 CG ASP A 43 5.320 -12.833 -12.558 1.00 0.00 C ATOM 586 OD1 ASP A 43 5.943 -12.781 -13.640 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.339 -13.567 -12.311 1.00 0.00 O ATOM 0 H ASP A 43 7.244 -10.109 -10.499 1.00 0.00 H new ATOM 0 HA ASP A 43 5.645 -10.186 -12.707 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.876 -12.052 -11.308 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.329 -12.225 -10.503 1.00 0.00 H new ATOM 592 N TRP A 44 3.946 -10.019 -9.873 1.00 0.00 N ATOM 593 CA TRP A 44 2.645 -9.747 -9.288 1.00 0.00 C ATOM 594 C TRP A 44 2.286 -8.291 -9.589 1.00 0.00 C ATOM 595 O TRP A 44 1.305 -8.020 -10.280 1.00 0.00 O ATOM 596 CB TRP A 44 2.638 -10.067 -7.792 1.00 0.00 C ATOM 597 CG TRP A 44 1.264 -9.932 -7.132 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.313 -10.868 -7.007 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.723 -8.748 -6.508 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.797 -10.376 -6.351 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.540 -9.047 -6.038 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.281 -7.468 -6.346 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.351 -8.117 -5.375 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.459 -6.551 -5.682 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.815 -6.836 -5.202 1.00 0.00 C ATOM 0 H TRP A 44 4.707 -10.105 -9.199 1.00 0.00 H new ATOM 0 HA TRP A 44 1.883 -10.391 -9.727 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.001 -11.085 -7.647 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.339 -9.404 -7.286 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.404 -11.880 -7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.649 -10.893 -6.136 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.267 -7.213 -6.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.337 -8.375 -5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.840 -5.552 -5.532 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.388 -6.072 -4.698 1.00 0.00 H new ATOM 616 N LEU A 45 3.100 -7.391 -9.057 1.00 0.00 N ATOM 617 CA LEU A 45 2.881 -5.970 -9.260 1.00 0.00 C ATOM 618 C LEU A 45 2.449 -5.727 -10.708 1.00 0.00 C ATOM 619 O LEU A 45 1.370 -5.192 -10.956 1.00 0.00 O ATOM 620 CB LEU A 45 4.119 -5.172 -8.845 1.00 0.00 C ATOM 621 CG LEU A 45 4.315 -4.973 -7.341 1.00 0.00 C ATOM 622 CD1 LEU A 45 5.736 -4.496 -7.032 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.256 -4.028 -6.769 1.00 0.00 C ATOM 0 H LEU A 45 3.913 -7.619 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 45 2.073 -5.614 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.001 -5.674 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.070 -4.191 -9.318 1.00 0.00 H new ATOM 0 HG LEU A 45 4.184 -5.937 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.849 -4.362 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.453 -5.238 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.919 -3.547 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.419 -3.904 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.329 -3.058 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.264 -4.447 -6.939 1.00 0.00 H new ATOM 635 N MET A 46 3.315 -6.131 -11.625 1.00 0.00 N ATOM 636 CA MET A 46 3.037 -5.964 -13.042 1.00 0.00 C ATOM 637 C MET A 46 1.638 -6.477 -13.390 1.00 0.00 C ATOM 638 O MET A 46 0.932 -5.869 -14.194 1.00 0.00 O ATOM 639 CB MET A 46 4.079 -6.728 -13.861 1.00 0.00 C ATOM 640 CG MET A 46 5.415 -5.982 -13.881 1.00 0.00 C ATOM 641 SD MET A 46 5.241 -4.442 -14.766 1.00 0.00 S ATOM 642 CE MET A 46 6.004 -3.326 -13.600 1.00 0.00 C ATOM 0 H MET A 46 4.210 -6.574 -11.415 1.00 0.00 H new ATOM 0 HA MET A 46 3.084 -4.901 -13.279 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.220 -7.723 -13.439 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.718 -6.862 -14.881 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.749 -5.789 -12.861 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.178 -6.599 -14.355 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.980 -2.312 -13.998 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.460 -3.358 -12.656 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.038 -3.626 -13.433 1.00 0.00 H new ATOM 652 N GLU A 47 1.278 -7.590 -12.768 1.00 0.00 N ATOM 653 CA GLU A 47 -0.023 -8.191 -13.002 1.00 0.00 C ATOM 654 C GLU A 47 -1.130 -7.299 -12.435 1.00 0.00 C ATOM 655 O GLU A 47 -2.218 -7.218 -13.001 1.00 0.00 O ATOM 656 CB GLU A 47 -0.093 -9.598 -12.404 1.00 0.00 C ATOM 657 CG GLU A 47 -0.153 -10.659 -13.505 1.00 0.00 C ATOM 658 CD GLU A 47 1.122 -10.644 -14.351 1.00 0.00 C ATOM 659 OE1 GLU A 47 1.195 -9.782 -15.253 1.00 0.00 O ATOM 660 OE2 GLU A 47 1.995 -11.496 -14.076 1.00 0.00 O ATOM 0 H GLU A 47 1.866 -8.091 -12.102 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.171 -8.281 -14.078 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.778 -9.773 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.972 -9.682 -11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.286 -11.644 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.019 -10.478 -14.142 1.00 0.00 H new ATOM 667 N HIS A 48 -0.813 -6.652 -11.323 1.00 0.00 N ATOM 668 CA HIS A 48 -1.766 -5.769 -10.673 1.00 0.00 C ATOM 669 C HIS A 48 -1.529 -4.330 -11.133 1.00 0.00 C ATOM 670 O HIS A 48 -2.145 -3.399 -10.616 1.00 0.00 O ATOM 671 CB HIS A 48 -1.700 -5.923 -9.152 1.00 0.00 C ATOM 672 CG HIS A 48 -2.188 -7.261 -8.649 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.394 -7.419 -7.988 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.621 -8.500 -8.717 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.536 -8.699 -7.677 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.436 -9.367 -8.129 1.00 0.00 N ATOM 0 H HIS A 48 0.091 -6.722 -10.856 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.779 -6.045 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.670 -5.778 -8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.294 -5.134 -8.691 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.060 -6.676 -7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.670 -8.735 -9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.375 -9.137 -7.157 1.00 0.00 H new ATOM 684 N GLU A 49 -0.635 -4.191 -12.101 1.00 0.00 N ATOM 685 CA GLU A 49 -0.309 -2.881 -12.637 1.00 0.00 C ATOM 686 C GLU A 49 -1.579 -2.167 -13.102 1.00 0.00 C ATOM 687 O GLU A 49 -1.591 -0.945 -13.249 1.00 0.00 O ATOM 688 CB GLU A 49 0.706 -2.991 -13.776 1.00 0.00 C ATOM 689 CG GLU A 49 0.022 -3.399 -15.083 1.00 0.00 C ATOM 690 CD GLU A 49 -0.195 -2.186 -15.990 1.00 0.00 C ATOM 691 OE1 GLU A 49 -0.698 -1.169 -15.467 1.00 0.00 O ATOM 692 OE2 GLU A 49 0.148 -2.304 -17.186 1.00 0.00 O ATOM 0 H GLU A 49 -0.126 -4.965 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 49 0.148 -2.289 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.213 -2.035 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.470 -3.724 -13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.631 -4.140 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.936 -3.870 -14.864 1.00 0.00 H new ATOM 699 N ASP A 50 -2.619 -2.959 -13.321 1.00 0.00 N ATOM 700 CA ASP A 50 -3.891 -2.417 -13.767 1.00 0.00 C ATOM 701 C ASP A 50 -4.643 -1.839 -12.566 1.00 0.00 C ATOM 702 O ASP A 50 -5.424 -0.899 -12.712 1.00 0.00 O ATOM 703 CB ASP A 50 -4.765 -3.507 -14.391 1.00 0.00 C ATOM 704 CG ASP A 50 -6.171 -3.057 -14.792 1.00 0.00 C ATOM 705 OD1 ASP A 50 -6.307 -2.569 -15.935 1.00 0.00 O ATOM 706 OD2 ASP A 50 -7.079 -3.212 -13.947 1.00 0.00 O ATOM 0 H ASP A 50 -2.606 -3.971 -13.198 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.688 -1.647 -14.511 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.259 -3.896 -15.274 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.852 -4.332 -13.684 1.00 0.00 H new ATOM 711 N ASP A 51 -4.381 -2.424 -11.407 1.00 0.00 N ATOM 712 CA ASP A 51 -5.023 -1.979 -10.182 1.00 0.00 C ATOM 713 C ASP A 51 -4.600 -0.539 -9.884 1.00 0.00 C ATOM 714 O ASP A 51 -3.415 -0.259 -9.712 1.00 0.00 O ATOM 715 CB ASP A 51 -4.607 -2.849 -8.994 1.00 0.00 C ATOM 716 CG ASP A 51 -4.631 -4.356 -9.256 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.597 -4.725 -10.450 1.00 0.00 O ATOM 718 OD2 ASP A 51 -4.684 -5.105 -8.257 1.00 0.00 O ATOM 0 H ASP A 51 -3.733 -3.203 -11.290 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.102 -2.051 -10.321 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.600 -2.564 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.267 -2.631 -8.155 1.00 0.00 H new ATOM 723 N PRO A 52 -5.620 0.360 -9.832 1.00 0.00 N ATOM 724 CA PRO A 52 -5.366 1.765 -9.558 1.00 0.00 C ATOM 725 C PRO A 52 -5.048 1.986 -8.078 1.00 0.00 C ATOM 726 O PRO A 52 -4.006 2.545 -7.739 1.00 0.00 O ATOM 727 CB PRO A 52 -6.624 2.487 -10.010 1.00 0.00 C ATOM 728 CG PRO A 52 -7.710 1.426 -10.087 1.00 0.00 C ATOM 729 CD PRO A 52 -7.035 0.065 -10.031 1.00 0.00 C ATOM 0 HA PRO A 52 -4.492 2.146 -10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.896 3.274 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.474 2.963 -10.979 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.413 1.538 -9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.282 1.531 -11.009 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.432 -0.540 -9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.197 -0.495 -10.952 1.00 0.00 H new ATOM 737 N ASP A 53 -5.967 1.536 -7.235 1.00 0.00 N ATOM 738 CA ASP A 53 -5.798 1.678 -5.799 1.00 0.00 C ATOM 739 C ASP A 53 -4.792 0.637 -5.303 1.00 0.00 C ATOM 740 O ASP A 53 -4.218 0.788 -4.225 1.00 0.00 O ATOM 741 CB ASP A 53 -7.119 1.447 -5.063 1.00 0.00 C ATOM 742 CG ASP A 53 -8.350 2.054 -5.739 1.00 0.00 C ATOM 743 OD1 ASP A 53 -8.473 1.866 -6.969 1.00 0.00 O ATOM 744 OD2 ASP A 53 -9.141 2.692 -5.011 1.00 0.00 O ATOM 0 H ASP A 53 -6.830 1.073 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.447 2.690 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.275 0.374 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.035 1.860 -4.058 1.00 0.00 H new ATOM 749 N VAL A 54 -4.610 -0.396 -6.112 1.00 0.00 N ATOM 750 CA VAL A 54 -3.684 -1.462 -5.768 1.00 0.00 C ATOM 751 C VAL A 54 -3.595 -1.583 -4.246 1.00 0.00 C ATOM 752 O VAL A 54 -4.403 -2.272 -3.625 1.00 0.00 O ATOM 753 CB VAL A 54 -2.327 -1.209 -6.429 1.00 0.00 C ATOM 754 CG1 VAL A 54 -2.007 0.287 -6.468 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.219 -1.988 -5.719 1.00 0.00 C ATOM 0 H VAL A 54 -5.088 -0.518 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.043 -2.418 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.382 -1.567 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.038 0.439 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.776 0.809 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.979 0.680 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.265 -1.791 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.164 -1.674 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.437 -3.055 -5.766 1.00 0.00 H new ATOM 765 N ASP A 55 -2.605 -0.902 -3.687 1.00 0.00 N ATOM 766 CA ASP A 55 -2.399 -0.924 -2.249 1.00 0.00 C ATOM 767 C ASP A 55 -2.593 0.486 -1.688 1.00 0.00 C ATOM 768 O ASP A 55 -1.644 1.100 -1.203 1.00 0.00 O ATOM 769 CB ASP A 55 -0.981 -1.381 -1.902 1.00 0.00 C ATOM 770 CG ASP A 55 -0.599 -1.241 -0.427 1.00 0.00 C ATOM 771 OD1 ASP A 55 -1.032 -2.114 0.356 1.00 0.00 O ATOM 772 OD2 ASP A 55 0.118 -0.265 -0.116 1.00 0.00 O ATOM 0 H ASP A 55 -1.937 -0.331 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.118 -1.620 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.871 -2.426 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.274 -0.807 -2.501 1.00 0.00 H new ATOM 777 N GLU A 56 -3.828 0.958 -1.773 1.00 0.00 N ATOM 778 CA GLU A 56 -4.158 2.284 -1.280 1.00 0.00 C ATOM 779 C GLU A 56 -3.413 2.565 0.026 1.00 0.00 C ATOM 780 O GLU A 56 -3.126 1.646 0.792 1.00 0.00 O ATOM 781 CB GLU A 56 -5.668 2.440 -1.094 1.00 0.00 C ATOM 782 CG GLU A 56 -6.118 1.861 0.249 1.00 0.00 C ATOM 783 CD GLU A 56 -7.613 1.537 0.233 1.00 0.00 C ATOM 784 OE1 GLU A 56 -7.965 0.511 -0.388 1.00 0.00 O ATOM 785 OE2 GLU A 56 -8.371 2.323 0.843 1.00 0.00 O ATOM 0 H GLU A 56 -4.612 0.445 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.839 3.016 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.938 3.495 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.192 1.935 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.549 0.958 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.905 2.574 1.046 1.00 0.00 H new ATOM 792 N PRO A 57 -3.113 3.874 0.247 1.00 0.00 N ATOM 793 CA PRO A 57 -2.407 4.288 1.447 1.00 0.00 C ATOM 794 C PRO A 57 -3.332 4.258 2.665 1.00 0.00 C ATOM 795 O PRO A 57 -4.466 4.730 2.599 1.00 0.00 O ATOM 796 CB PRO A 57 -1.881 5.679 1.134 1.00 0.00 C ATOM 797 CG PRO A 57 -2.700 6.178 -0.045 1.00 0.00 C ATOM 798 CD PRO A 57 -3.437 4.989 -0.638 1.00 0.00 C ATOM 0 HA PRO A 57 -1.588 3.617 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.990 6.340 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.820 5.649 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.407 6.943 0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.053 6.637 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.512 5.167 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.112 4.791 -1.660 1.00 0.00 H new ATOM 806 N LEU A 58 -2.814 3.700 3.749 1.00 0.00 N ATOM 807 CA LEU A 58 -3.579 3.603 4.980 1.00 0.00 C ATOM 808 C LEU A 58 -3.312 4.839 5.841 1.00 0.00 C ATOM 809 O LEU A 58 -2.389 4.846 6.654 1.00 0.00 O ATOM 810 CB LEU A 58 -3.283 2.282 5.693 1.00 0.00 C ATOM 811 CG LEU A 58 -3.891 1.028 5.062 1.00 0.00 C ATOM 812 CD1 LEU A 58 -3.072 0.570 3.854 1.00 0.00 C ATOM 813 CD2 LEU A 58 -4.054 -0.085 6.099 1.00 0.00 C ATOM 0 H LEU A 58 -1.873 3.310 3.800 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.647 3.589 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.202 2.153 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.641 2.358 6.720 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.888 1.278 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.526 -0.323 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.052 1.363 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.054 0.343 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.488 -0.965 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.079 -0.341 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.711 0.256 6.899 1.00 0.00 H new ATOM 825 N SER A 59 -4.136 5.855 5.632 1.00 0.00 N ATOM 826 CA SER A 59 -4.000 7.095 6.379 1.00 0.00 C ATOM 827 C SER A 59 -5.181 8.020 6.077 1.00 0.00 C ATOM 828 O SER A 59 -5.166 8.749 5.086 1.00 0.00 O ATOM 829 CB SER A 59 -2.680 7.794 6.049 1.00 0.00 C ATOM 830 OG SER A 59 -1.592 7.264 6.801 1.00 0.00 O ATOM 0 H SER A 59 -4.900 5.846 4.956 1.00 0.00 H new ATOM 0 HA SER A 59 -3.997 6.856 7.442 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.470 7.688 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.775 8.861 6.251 1.00 0.00 H new ATOM 0 HG SER A 59 -1.516 6.302 6.632 1.00 0.00 H new ATOM 836 N GLY A 60 -6.177 7.960 6.949 1.00 0.00 N ATOM 837 CA GLY A 60 -7.363 8.783 6.789 1.00 0.00 C ATOM 838 C GLY A 60 -7.873 8.734 5.347 1.00 0.00 C ATOM 839 O GLY A 60 -7.746 7.712 4.674 1.00 0.00 O ATOM 0 H GLY A 60 -6.187 7.354 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.144 8.438 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.135 9.813 7.063 1.00 0.00 H new ATOM 843 N PRO A 61 -8.454 9.881 4.904 1.00 0.00 N ATOM 844 CA PRO A 61 -8.984 9.979 3.555 1.00 0.00 C ATOM 845 C PRO A 61 -7.855 10.114 2.531 1.00 0.00 C ATOM 846 O PRO A 61 -7.024 11.015 2.634 1.00 0.00 O ATOM 847 CB PRO A 61 -9.909 11.184 3.582 1.00 0.00 C ATOM 848 CG PRO A 61 -9.509 11.990 4.807 1.00 0.00 C ATOM 849 CD PRO A 61 -8.622 11.111 5.673 1.00 0.00 C ATOM 0 HA PRO A 61 -9.527 9.084 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.804 11.777 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.952 10.874 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.978 12.895 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.393 12.305 5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.662 11.589 5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.084 10.913 6.640 1.00 0.00 H new ATOM 857 N SER A 62 -7.862 9.207 1.566 1.00 0.00 N ATOM 858 CA SER A 62 -6.849 9.214 0.524 1.00 0.00 C ATOM 859 C SER A 62 -7.337 10.029 -0.674 1.00 0.00 C ATOM 860 O SER A 62 -8.537 10.104 -0.932 1.00 0.00 O ATOM 861 CB SER A 62 -6.496 7.790 0.090 1.00 0.00 C ATOM 862 OG SER A 62 -7.634 7.083 -0.396 1.00 0.00 O ATOM 0 H SER A 62 -8.553 8.462 1.483 1.00 0.00 H new ATOM 0 HA SER A 62 -5.947 9.676 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.733 7.826 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.066 7.250 0.934 1.00 0.00 H new ATOM 0 HG SER A 62 -7.367 6.179 -0.665 1.00 0.00 H new ATOM 868 N SER A 63 -6.381 10.621 -1.376 1.00 0.00 N ATOM 869 CA SER A 63 -6.698 11.428 -2.541 1.00 0.00 C ATOM 870 C SER A 63 -5.968 10.882 -3.770 1.00 0.00 C ATOM 871 O SER A 63 -6.597 10.562 -4.778 1.00 0.00 O ATOM 872 CB SER A 63 -6.328 12.895 -2.312 1.00 0.00 C ATOM 873 OG SER A 63 -6.235 13.619 -3.536 1.00 0.00 O ATOM 0 H SER A 63 -5.386 10.557 -1.159 1.00 0.00 H new ATOM 0 HA SER A 63 -7.773 11.375 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.076 13.362 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.376 12.951 -1.784 1.00 0.00 H new ATOM 0 HG SER A 63 -5.999 14.551 -3.348 1.00 0.00 H new ATOM 879 N GLY A 64 -4.652 10.794 -3.647 1.00 0.00 N ATOM 880 CA GLY A 64 -3.830 10.292 -4.735 1.00 0.00 C ATOM 881 C GLY A 64 -2.421 9.951 -4.246 1.00 0.00 C ATOM 882 O GLY A 64 -2.021 10.364 -3.159 1.00 0.00 O ATOM 0 H GLY A 64 -4.134 11.062 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.294 9.405 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.773 11.039 -5.527 1.00 0.00 H new TER 886 GLY A 64