USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.31 (180deg=1.08) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 153:sc= -0.881! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -165:sc=-0.000726 (180deg=-0.246) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 29 THR OG1 : rot 10:sc= 0.0943 USER MOD Single : A 31 ASN : amide:sc= 1.23 K(o=1.2,f=-0.036) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 THR OG1 : rot 177:sc= -0.375 USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.815) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.42 (180deg=-0.738) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.15) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0065) USER MOD Single : A 61 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.835 -12.118 -5.056 1.00 71.20 N ATOM 2 CA MET A 1 10.089 -12.559 -3.663 1.00 72.14 C ATOM 3 C MET A 1 8.885 -12.248 -2.789 1.00 75.44 C ATOM 4 O MET A 1 7.758 -12.159 -3.284 1.00 1.31 O ATOM 5 CB MET A 1 11.342 -11.882 -3.092 1.00 53.25 C ATOM 6 CG MET A 1 12.647 -12.387 -3.688 1.00 20.25 C ATOM 7 SD MET A 1 12.814 -12.000 -5.439 1.00 55.21 S ATOM 8 CE MET A 1 14.376 -12.793 -5.802 1.00 75.22 C ATOM 0 H1 MET A 1 10.720 -12.161 -5.601 1.00 71.20 H new ATOM 0 H2 MET A 1 9.128 -12.742 -5.494 1.00 71.20 H new ATOM 0 H3 MET A 1 9.479 -11.141 -5.051 1.00 71.20 H new ATOM 0 HA MET A 1 10.257 -13.636 -3.672 1.00 72.14 H new ATOM 0 HB2 MET A 1 11.270 -10.807 -3.260 1.00 53.25 H new ATOM 0 HB3 MET A 1 11.365 -12.035 -2.013 1.00 53.25 H new ATOM 0 HG2 MET A 1 13.483 -11.949 -3.143 1.00 20.25 H new ATOM 0 HG3 MET A 1 12.709 -13.467 -3.552 1.00 20.25 H new ATOM 0 HE1 MET A 1 14.624 -12.645 -6.853 1.00 75.22 H new ATOM 0 HE2 MET A 1 15.158 -12.358 -5.180 1.00 75.22 H new ATOM 0 HE3 MET A 1 14.299 -13.860 -5.594 1.00 75.22 H new ATOM 20 N GLY A 2 9.120 -12.091 -1.490 1.00 0.21 N ATOM 21 CA GLY A 2 8.041 -11.824 -0.564 1.00 64.51 C ATOM 22 C GLY A 2 7.621 -10.368 -0.546 1.00 61.44 C ATOM 23 O GLY A 2 7.685 -9.712 0.491 1.00 52.41 O ATOM 0 H GLY A 2 10.045 -12.145 -1.063 1.00 0.21 H new ATOM 0 HA2 GLY A 2 7.182 -12.441 -0.828 1.00 64.51 H new ATOM 0 HA3 GLY A 2 8.349 -12.120 0.439 1.00 64.51 H new ATOM 27 N GLU A 3 7.212 -9.865 -1.699 1.00 1.40 N ATOM 28 CA GLU A 3 6.632 -8.536 -1.801 1.00 15.34 C ATOM 29 C GLU A 3 5.149 -8.694 -2.099 1.00 3.41 C ATOM 30 O GLU A 3 4.761 -9.592 -2.855 1.00 3.14 O ATOM 31 CB GLU A 3 7.328 -7.724 -2.900 1.00 30.45 C ATOM 32 CG GLU A 3 7.745 -6.322 -2.470 1.00 42.31 C ATOM 33 CD GLU A 3 6.568 -5.404 -2.198 1.00 52.41 C ATOM 34 OE1 GLU A 3 5.901 -5.581 -1.157 1.00 21.15 O ATOM 35 OE2 GLU A 3 6.319 -4.495 -3.019 1.00 75.13 O ATOM 0 H GLU A 3 7.272 -10.364 -2.587 1.00 1.40 H new ATOM 0 HA GLU A 3 6.768 -7.993 -0.865 1.00 15.34 H new ATOM 0 HB2 GLU A 3 8.212 -8.268 -3.234 1.00 30.45 H new ATOM 0 HB3 GLU A 3 6.659 -7.645 -3.757 1.00 30.45 H new ATOM 0 HG2 GLU A 3 8.358 -6.392 -1.571 1.00 42.31 H new ATOM 0 HG3 GLU A 3 8.369 -5.881 -3.248 1.00 42.31 H new ATOM 42 N LEU A 4 4.326 -7.844 -1.510 1.00 43.12 N ATOM 43 CA LEU A 4 2.881 -8.010 -1.586 1.00 55.14 C ATOM 44 C LEU A 4 2.368 -7.832 -3.008 1.00 14.13 C ATOM 45 O LEU A 4 3.025 -7.224 -3.857 1.00 34.10 O ATOM 46 CB LEU A 4 2.176 -7.031 -0.652 1.00 51.54 C ATOM 47 CG LEU A 4 2.515 -7.189 0.830 1.00 33.42 C ATOM 48 CD1 LEU A 4 1.764 -6.158 1.652 1.00 54.33 C ATOM 49 CD2 LEU A 4 2.182 -8.595 1.308 1.00 51.32 C ATOM 0 H LEU A 4 4.631 -7.032 -0.974 1.00 43.12 H new ATOM 0 HA LEU A 4 2.656 -9.029 -1.271 1.00 55.14 H new ATOM 0 HB2 LEU A 4 2.426 -6.016 -0.960 1.00 51.54 H new ATOM 0 HB3 LEU A 4 1.099 -7.146 -0.777 1.00 51.54 H new ATOM 0 HG LEU A 4 3.585 -7.028 0.960 1.00 33.42 H new ATOM 0 HD11 LEU A 4 2.014 -6.281 2.706 1.00 54.33 H new ATOM 0 HD12 LEU A 4 2.047 -5.157 1.326 1.00 54.33 H new ATOM 0 HD13 LEU A 4 0.691 -6.295 1.515 1.00 54.33 H new ATOM 0 HD21 LEU A 4 2.430 -8.688 2.365 1.00 51.32 H new ATOM 0 HD22 LEU A 4 1.118 -8.785 1.167 1.00 51.32 H new ATOM 0 HD23 LEU A 4 2.759 -9.320 0.735 1.00 51.32 H new ATOM 61 N SER A 5 1.194 -8.377 -3.267 1.00 73.30 N ATOM 62 CA SER A 5 0.576 -8.269 -4.570 1.00 52.32 C ATOM 63 C SER A 5 -0.231 -6.977 -4.663 1.00 55.55 C ATOM 64 O SER A 5 -1.219 -6.802 -3.954 1.00 43.32 O ATOM 65 CB SER A 5 -0.313 -9.485 -4.818 1.00 32.02 C ATOM 66 OG SER A 5 0.435 -10.688 -4.696 1.00 44.52 O ATOM 0 H SER A 5 0.648 -8.902 -2.584 1.00 73.30 H new ATOM 0 HA SER A 5 1.350 -8.241 -5.337 1.00 52.32 H new ATOM 0 HB2 SER A 5 -1.138 -9.490 -4.105 1.00 32.02 H new ATOM 0 HB3 SER A 5 -0.752 -9.423 -5.814 1.00 32.02 H new ATOM 0 HG SER A 5 -0.152 -11.456 -4.857 1.00 44.52 H new ATOM 72 N TRP A 6 0.209 -6.069 -5.516 1.00 25.43 N ATOM 73 CA TRP A 6 -0.452 -4.781 -5.668 1.00 2.31 C ATOM 74 C TRP A 6 -1.312 -4.767 -6.925 1.00 30.04 C ATOM 75 O TRP A 6 -0.849 -5.146 -8.005 1.00 71.32 O ATOM 76 CB TRP A 6 0.584 -3.653 -5.724 1.00 73.30 C ATOM 77 CG TRP A 6 1.260 -3.396 -4.409 1.00 33.52 C ATOM 78 CD1 TRP A 6 2.128 -4.221 -3.753 1.00 2.13 C ATOM 79 CD2 TRP A 6 1.128 -2.226 -3.595 1.00 71.21 C ATOM 80 NE1 TRP A 6 2.538 -3.639 -2.579 1.00 1.43 N ATOM 81 CE2 TRP A 6 1.936 -2.414 -2.459 1.00 72.43 C ATOM 82 CE3 TRP A 6 0.403 -1.038 -3.716 1.00 65.53 C ATOM 83 CZ2 TRP A 6 2.037 -1.459 -1.452 1.00 72.23 C ATOM 84 CZ3 TRP A 6 0.504 -0.091 -2.715 1.00 62.53 C ATOM 85 CH2 TRP A 6 1.316 -0.306 -1.597 1.00 0.15 C ATOM 0 H TRP A 6 1.023 -6.199 -6.116 1.00 25.43 H new ATOM 0 HA TRP A 6 -1.097 -4.622 -4.804 1.00 2.31 H new ATOM 0 HB2 TRP A 6 1.339 -3.901 -6.470 1.00 73.30 H new ATOM 0 HB3 TRP A 6 0.095 -2.738 -6.057 1.00 73.30 H new ATOM 0 HD1 TRP A 6 2.446 -5.191 -4.106 1.00 2.13 H new ATOM 0 HE1 TRP A 6 3.185 -4.051 -1.906 1.00 1.43 H new ATOM 0 HE3 TRP A 6 -0.225 -0.863 -4.577 1.00 65.53 H new ATOM 0 HZ2 TRP A 6 2.662 -1.622 -0.587 1.00 72.23 H new ATOM 0 HZ3 TRP A 6 -0.053 0.830 -2.797 1.00 62.53 H new ATOM 0 HH2 TRP A 6 1.375 0.454 -0.832 1.00 0.15 H new ATOM 96 N THR A 7 -2.560 -4.344 -6.782 1.00 22.35 N ATOM 97 CA THR A 7 -3.484 -4.298 -7.905 1.00 44.45 C ATOM 98 C THR A 7 -3.308 -3.011 -8.705 1.00 53.51 C ATOM 99 O THR A 7 -2.519 -2.138 -8.334 1.00 62.42 O ATOM 100 CB THR A 7 -4.942 -4.412 -7.427 1.00 34.41 C ATOM 101 OG1 THR A 7 -5.225 -3.397 -6.455 1.00 42.14 O ATOM 102 CG2 THR A 7 -5.207 -5.783 -6.827 1.00 63.22 C ATOM 0 H THR A 7 -2.956 -4.027 -5.897 1.00 22.35 H new ATOM 0 HA THR A 7 -3.257 -5.148 -8.548 1.00 44.45 H new ATOM 0 HB THR A 7 -5.594 -4.276 -8.290 1.00 34.41 H new ATOM 0 HG1 THR A 7 -6.182 -3.184 -6.473 1.00 42.14 H new ATOM 0 HG21 THR A 7 -6.244 -5.841 -6.496 1.00 63.22 H new ATOM 0 HG22 THR A 7 -5.023 -6.551 -7.578 1.00 63.22 H new ATOM 0 HG23 THR A 7 -4.545 -5.942 -5.976 1.00 63.22 H new ATOM 110 N ALA A 8 -4.045 -2.893 -9.800 1.00 24.33 N ATOM 111 CA ALA A 8 -3.931 -1.735 -10.676 1.00 3.20 C ATOM 112 C ALA A 8 -4.382 -0.456 -9.978 1.00 45.23 C ATOM 113 O ALA A 8 -3.797 0.609 -10.183 1.00 10.34 O ATOM 114 CB ALA A 8 -4.722 -1.949 -11.954 1.00 50.43 C ATOM 0 H ALA A 8 -4.729 -3.586 -10.104 1.00 24.33 H new ATOM 0 HA ALA A 8 -2.878 -1.620 -10.932 1.00 3.20 H new ATOM 0 HB1 ALA A 8 -4.623 -1.072 -12.594 1.00 50.43 H new ATOM 0 HB2 ALA A 8 -4.338 -2.825 -12.477 1.00 50.43 H new ATOM 0 HB3 ALA A 8 -5.773 -2.104 -11.710 1.00 50.43 H new ATOM 120 N GLU A 9 -5.422 -0.551 -9.153 1.00 53.23 N ATOM 121 CA GLU A 9 -5.888 0.613 -8.402 1.00 31.30 C ATOM 122 C GLU A 9 -4.849 0.999 -7.365 1.00 74.32 C ATOM 123 O GLU A 9 -4.614 2.176 -7.125 1.00 0.22 O ATOM 124 CB GLU A 9 -7.223 0.372 -7.686 1.00 4.13 C ATOM 125 CG GLU A 9 -8.102 -0.696 -8.302 1.00 74.43 C ATOM 126 CD GLU A 9 -7.650 -2.086 -7.929 1.00 33.51 C ATOM 127 OE1 GLU A 9 -7.745 -2.450 -6.736 1.00 21.45 O ATOM 128 OE2 GLU A 9 -7.171 -2.811 -8.818 1.00 62.21 O ATOM 0 H GLU A 9 -5.951 -1.407 -8.989 1.00 53.23 H new ATOM 0 HA GLU A 9 -6.040 1.411 -9.128 1.00 31.30 H new ATOM 0 HB2 GLU A 9 -7.018 0.098 -6.651 1.00 4.13 H new ATOM 0 HB3 GLU A 9 -7.779 1.309 -7.664 1.00 4.13 H new ATOM 0 HG2 GLU A 9 -9.132 -0.550 -7.976 1.00 74.43 H new ATOM 0 HG3 GLU A 9 -8.093 -0.591 -9.387 1.00 74.43 H new ATOM 135 N ALA A 10 -4.223 -0.007 -6.763 1.00 22.24 N ATOM 136 CA ALA A 10 -3.218 0.218 -5.734 1.00 42.35 C ATOM 137 C ALA A 10 -2.025 0.974 -6.298 1.00 12.23 C ATOM 138 O ALA A 10 -1.543 1.928 -5.692 1.00 51.32 O ATOM 139 CB ALA A 10 -2.772 -1.101 -5.132 1.00 40.32 C ATOM 0 H ALA A 10 -4.396 -0.990 -6.972 1.00 22.24 H new ATOM 0 HA ALA A 10 -3.666 0.826 -4.948 1.00 42.35 H new ATOM 0 HB1 ALA A 10 -2.021 -0.915 -4.365 1.00 40.32 H new ATOM 0 HB2 ALA A 10 -3.629 -1.606 -4.686 1.00 40.32 H new ATOM 0 HB3 ALA A 10 -2.345 -1.731 -5.912 1.00 40.32 H new ATOM 145 N GLU A 11 -1.565 0.549 -7.470 1.00 21.35 N ATOM 146 CA GLU A 11 -0.473 1.224 -8.166 1.00 32.50 C ATOM 147 C GLU A 11 -0.874 2.644 -8.551 1.00 54.22 C ATOM 148 O GLU A 11 -0.035 3.539 -8.631 1.00 13.51 O ATOM 149 CB GLU A 11 -0.072 0.432 -9.410 1.00 14.25 C ATOM 150 CG GLU A 11 0.568 -0.909 -9.092 1.00 34.11 C ATOM 151 CD GLU A 11 2.000 -0.780 -8.611 1.00 70.33 C ATOM 152 OE1 GLU A 11 2.225 -0.287 -7.487 1.00 1.22 O ATOM 153 OE2 GLU A 11 2.916 -1.175 -9.366 1.00 13.10 O ATOM 0 H GLU A 11 -1.934 -0.265 -7.961 1.00 21.35 H new ATOM 0 HA GLU A 11 0.382 1.280 -7.492 1.00 32.50 H new ATOM 0 HB2 GLU A 11 -0.955 0.267 -10.027 1.00 14.25 H new ATOM 0 HB3 GLU A 11 0.624 1.027 -10.002 1.00 14.25 H new ATOM 0 HG2 GLU A 11 -0.022 -1.416 -8.328 1.00 34.11 H new ATOM 0 HG3 GLU A 11 0.544 -1.537 -9.982 1.00 34.11 H new ATOM 160 N LYS A 12 -2.162 2.834 -8.807 1.00 21.21 N ATOM 161 CA LYS A 12 -2.699 4.148 -9.127 1.00 34.33 C ATOM 162 C LYS A 12 -2.747 5.008 -7.860 1.00 74.34 C ATOM 163 O LYS A 12 -2.384 6.185 -7.877 1.00 53.34 O ATOM 164 CB LYS A 12 -4.095 3.987 -9.746 1.00 50.32 C ATOM 165 CG LYS A 12 -4.618 5.216 -10.480 1.00 44.33 C ATOM 166 CD LYS A 12 -5.086 6.304 -9.531 1.00 74.32 C ATOM 167 CE LYS A 12 -5.740 7.448 -10.281 1.00 64.44 C ATOM 168 NZ LYS A 12 -6.142 8.544 -9.363 1.00 52.50 N ATOM 0 H LYS A 12 -2.858 2.088 -8.799 1.00 21.21 H new ATOM 0 HA LYS A 12 -2.057 4.650 -9.851 1.00 34.33 H new ATOM 0 HB2 LYS A 12 -4.073 3.148 -10.442 1.00 50.32 H new ATOM 0 HB3 LYS A 12 -4.799 3.727 -8.956 1.00 50.32 H new ATOM 0 HG2 LYS A 12 -3.833 5.613 -11.123 1.00 44.33 H new ATOM 0 HG3 LYS A 12 -5.444 4.924 -11.128 1.00 44.33 H new ATOM 0 HD2 LYS A 12 -5.793 5.885 -8.815 1.00 74.32 H new ATOM 0 HD3 LYS A 12 -4.238 6.680 -8.959 1.00 74.32 H new ATOM 0 HE2 LYS A 12 -5.049 7.835 -11.030 1.00 64.44 H new ATOM 0 HE3 LYS A 12 -6.616 7.080 -10.815 1.00 64.44 H new ATOM 0 HZ1 LYS A 12 -6.586 9.309 -9.910 1.00 52.50 H new ATOM 0 HZ2 LYS A 12 -6.820 8.180 -8.664 1.00 52.50 H new ATOM 0 HZ3 LYS A 12 -5.302 8.911 -8.872 1.00 52.50 H new ATOM 182 N MET A 13 -3.186 4.401 -6.760 1.00 13.42 N ATOM 183 CA MET A 13 -3.216 5.067 -5.459 1.00 11.32 C ATOM 184 C MET A 13 -1.802 5.443 -5.037 1.00 40.14 C ATOM 185 O MET A 13 -1.548 6.555 -4.577 1.00 72.24 O ATOM 186 CB MET A 13 -3.844 4.150 -4.403 1.00 42.11 C ATOM 187 CG MET A 13 -5.284 3.758 -4.700 1.00 3.01 C ATOM 188 SD MET A 13 -6.456 5.109 -4.465 1.00 1.22 S ATOM 189 CE MET A 13 -6.513 5.179 -2.678 1.00 62.24 C ATOM 0 H MET A 13 -3.529 3.440 -6.744 1.00 13.42 H new ATOM 0 HA MET A 13 -3.820 5.970 -5.544 1.00 11.32 H new ATOM 0 HB2 MET A 13 -3.242 3.245 -4.318 1.00 42.11 H new ATOM 0 HB3 MET A 13 -3.807 4.649 -3.435 1.00 42.11 H new ATOM 0 HG2 MET A 13 -5.352 3.403 -5.728 1.00 3.01 H new ATOM 0 HG3 MET A 13 -5.567 2.925 -4.056 1.00 3.01 H new ATOM 0 HE1 MET A 13 -7.375 5.767 -2.364 1.00 62.24 H new ATOM 0 HE2 MET A 13 -6.597 4.169 -2.277 1.00 62.24 H new ATOM 0 HE3 MET A 13 -5.601 5.643 -2.303 1.00 62.24 H new ATOM 199 N LEU A 14 -0.885 4.502 -5.224 1.00 21.05 N ATOM 200 CA LEU A 14 0.524 4.713 -4.933 1.00 3.25 C ATOM 201 C LEU A 14 1.142 5.636 -5.981 1.00 11.50 C ATOM 202 O LEU A 14 2.258 6.127 -5.818 1.00 24.25 O ATOM 203 CB LEU A 14 1.249 3.364 -4.908 1.00 3.45 C ATOM 204 CG LEU A 14 2.715 3.401 -4.473 1.00 63.52 C ATOM 205 CD1 LEU A 14 2.840 3.933 -3.054 1.00 41.23 C ATOM 206 CD2 LEU A 14 3.330 2.015 -4.585 1.00 0.45 C ATOM 0 H LEU A 14 -1.099 3.571 -5.582 1.00 21.05 H new ATOM 0 HA LEU A 14 0.626 5.186 -3.956 1.00 3.25 H new ATOM 0 HB2 LEU A 14 0.708 2.695 -4.238 1.00 3.45 H new ATOM 0 HB3 LEU A 14 1.197 2.927 -5.905 1.00 3.45 H new ATOM 0 HG LEU A 14 3.258 4.075 -5.135 1.00 63.52 H new ATOM 0 HD11 LEU A 14 3.890 3.951 -2.764 1.00 41.23 H new ATOM 0 HD12 LEU A 14 2.433 4.943 -3.007 1.00 41.23 H new ATOM 0 HD13 LEU A 14 2.287 3.287 -2.373 1.00 41.23 H new ATOM 0 HD21 LEU A 14 4.374 2.054 -4.273 1.00 0.45 H new ATOM 0 HD22 LEU A 14 2.785 1.322 -3.944 1.00 0.45 H new ATOM 0 HD23 LEU A 14 3.273 1.674 -5.619 1.00 0.45 H new ATOM 218 N GLY A 15 0.394 5.878 -7.051 1.00 50.25 N ATOM 219 CA GLY A 15 0.844 6.771 -8.096 1.00 42.24 C ATOM 220 C GLY A 15 0.850 8.211 -7.640 1.00 70.32 C ATOM 221 O GLY A 15 1.674 9.005 -8.087 1.00 30.55 O ATOM 0 H GLY A 15 -0.525 5.466 -7.212 1.00 50.25 H new ATOM 0 HA2 GLY A 15 1.848 6.485 -8.411 1.00 42.24 H new ATOM 0 HA3 GLY A 15 0.196 6.668 -8.966 1.00 42.24 H new ATOM 225 N LYS A 16 -0.067 8.542 -6.734 1.00 61.43 N ATOM 226 CA LYS A 16 -0.115 9.875 -6.144 1.00 42.01 C ATOM 227 C LYS A 16 1.095 10.099 -5.247 1.00 60.53 C ATOM 228 O LYS A 16 1.448 11.234 -4.924 1.00 34.31 O ATOM 229 CB LYS A 16 -1.396 10.065 -5.321 1.00 61.10 C ATOM 230 CG LYS A 16 -2.667 10.128 -6.152 1.00 3.41 C ATOM 231 CD LYS A 16 -3.880 10.416 -5.277 1.00 72.42 C ATOM 232 CE LYS A 16 -5.140 10.602 -6.107 1.00 62.32 C ATOM 233 NZ LYS A 16 -6.321 10.918 -5.259 1.00 35.24 N ATOM 0 H LYS A 16 -0.787 7.904 -6.393 1.00 61.43 H new ATOM 0 HA LYS A 16 -0.107 10.601 -6.957 1.00 42.01 H new ATOM 0 HB2 LYS A 16 -1.482 9.245 -4.608 1.00 61.10 H new ATOM 0 HB3 LYS A 16 -1.309 10.984 -4.741 1.00 61.10 H new ATOM 0 HG2 LYS A 16 -2.570 10.903 -6.912 1.00 3.41 H new ATOM 0 HG3 LYS A 16 -2.809 9.183 -6.677 1.00 3.41 H new ATOM 0 HD2 LYS A 16 -4.025 9.596 -4.574 1.00 72.42 H new ATOM 0 HD3 LYS A 16 -3.698 11.314 -4.686 1.00 72.42 H new ATOM 0 HE2 LYS A 16 -4.985 11.405 -6.827 1.00 62.32 H new ATOM 0 HE3 LYS A 16 -5.336 9.695 -6.678 1.00 62.32 H new ATOM 0 HZ1 LYS A 16 -7.160 11.037 -5.862 1.00 35.24 H new ATOM 0 HZ2 LYS A 16 -6.485 10.140 -4.588 1.00 35.24 H new ATOM 0 HZ3 LYS A 16 -6.145 11.798 -4.733 1.00 35.24 H new ATOM 247 N VAL A 17 1.720 9.003 -4.848 1.00 50.51 N ATOM 248 CA VAL A 17 2.868 9.047 -3.968 1.00 71.31 C ATOM 249 C VAL A 17 4.158 9.028 -4.782 1.00 30.43 C ATOM 250 O VAL A 17 4.414 8.080 -5.530 1.00 21.11 O ATOM 251 CB VAL A 17 2.859 7.856 -2.986 1.00 15.21 C ATOM 252 CG1 VAL A 17 4.064 7.900 -2.063 1.00 20.30 C ATOM 253 CG2 VAL A 17 1.568 7.837 -2.179 1.00 35.25 C ATOM 0 H VAL A 17 1.444 8.061 -5.126 1.00 50.51 H new ATOM 0 HA VAL A 17 2.815 9.972 -3.394 1.00 71.31 H new ATOM 0 HB VAL A 17 2.916 6.938 -3.571 1.00 15.21 H new ATOM 0 HG11 VAL A 17 4.032 7.049 -1.382 1.00 20.30 H new ATOM 0 HG12 VAL A 17 4.978 7.856 -2.655 1.00 20.30 H new ATOM 0 HG13 VAL A 17 4.048 8.826 -1.488 1.00 20.30 H new ATOM 0 HG21 VAL A 17 1.580 6.990 -1.493 1.00 35.25 H new ATOM 0 HG22 VAL A 17 1.480 8.763 -1.611 1.00 35.25 H new ATOM 0 HG23 VAL A 17 0.718 7.744 -2.855 1.00 35.25 H new ATOM 263 N PRO A 18 4.977 10.086 -4.659 1.00 22.14 N ATOM 264 CA PRO A 18 6.256 10.187 -5.365 1.00 10.02 C ATOM 265 C PRO A 18 7.170 9.006 -5.055 1.00 62.13 C ATOM 266 O PRO A 18 7.227 8.540 -3.917 1.00 14.23 O ATOM 267 CB PRO A 18 6.861 11.490 -4.838 1.00 15.12 C ATOM 268 CG PRO A 18 5.698 12.276 -4.337 1.00 12.21 C ATOM 269 CD PRO A 18 4.709 11.271 -3.825 1.00 12.34 C ATOM 0 HA PRO A 18 6.129 10.178 -6.447 1.00 10.02 H new ATOM 0 HB2 PRO A 18 7.581 11.298 -4.042 1.00 15.12 H new ATOM 0 HB3 PRO A 18 7.391 12.026 -5.625 1.00 15.12 H new ATOM 0 HG2 PRO A 18 6.002 12.962 -3.546 1.00 12.21 H new ATOM 0 HG3 PRO A 18 5.263 12.880 -5.133 1.00 12.21 H new ATOM 0 HD2 PRO A 18 4.859 11.061 -2.766 1.00 12.34 H new ATOM 0 HD3 PRO A 18 3.683 11.621 -3.939 1.00 12.34 H new ATOM 277 N PHE A 19 7.893 8.542 -6.069 1.00 22.45 N ATOM 278 CA PHE A 19 8.733 7.355 -5.944 1.00 44.32 C ATOM 279 C PHE A 19 9.798 7.505 -4.853 1.00 1.31 C ATOM 280 O PHE A 19 10.292 6.509 -4.329 1.00 2.34 O ATOM 281 CB PHE A 19 9.379 7.010 -7.290 1.00 15.23 C ATOM 282 CG PHE A 19 10.171 8.129 -7.906 1.00 52.23 C ATOM 283 CD1 PHE A 19 9.552 9.075 -8.708 1.00 42.13 C ATOM 284 CD2 PHE A 19 11.536 8.226 -7.696 1.00 43.03 C ATOM 285 CE1 PHE A 19 10.277 10.099 -9.283 1.00 54.05 C ATOM 286 CE2 PHE A 19 12.269 9.247 -8.271 1.00 64.13 C ATOM 287 CZ PHE A 19 11.638 10.186 -9.066 1.00 40.03 C ATOM 0 H PHE A 19 7.914 8.973 -6.993 1.00 22.45 H new ATOM 0 HA PHE A 19 8.084 6.533 -5.642 1.00 44.32 H new ATOM 0 HB2 PHE A 19 10.034 6.150 -7.154 1.00 15.23 H new ATOM 0 HB3 PHE A 19 8.597 6.708 -7.987 1.00 15.23 H new ATOM 0 HD1 PHE A 19 8.489 9.010 -8.885 1.00 42.13 H new ATOM 0 HD2 PHE A 19 12.034 7.495 -7.076 1.00 43.03 H new ATOM 0 HE1 PHE A 19 9.780 10.832 -9.902 1.00 54.05 H new ATOM 0 HE2 PHE A 19 13.333 9.311 -8.100 1.00 64.13 H new ATOM 0 HZ PHE A 19 12.208 10.985 -9.516 1.00 40.03 H new ATOM 297 N PHE A 20 10.124 8.747 -4.500 1.00 33.41 N ATOM 298 CA PHE A 20 11.101 9.023 -3.447 1.00 3.34 C ATOM 299 C PHE A 20 10.691 8.350 -2.141 1.00 23.42 C ATOM 300 O PHE A 20 11.510 7.741 -1.451 1.00 15.42 O ATOM 301 CB PHE A 20 11.227 10.531 -3.213 1.00 61.32 C ATOM 302 CG PHE A 20 11.494 11.322 -4.459 1.00 23.14 C ATOM 303 CD1 PHE A 20 12.738 11.295 -5.063 1.00 33.44 C ATOM 304 CD2 PHE A 20 10.495 12.099 -5.022 1.00 23.21 C ATOM 305 CE1 PHE A 20 12.982 12.026 -6.208 1.00 10.32 C ATOM 306 CE2 PHE A 20 10.732 12.833 -6.166 1.00 15.35 C ATOM 307 CZ PHE A 20 11.978 12.797 -6.759 1.00 62.02 C ATOM 0 H PHE A 20 9.724 9.581 -4.929 1.00 33.41 H new ATOM 0 HA PHE A 20 12.062 8.624 -3.772 1.00 3.34 H new ATOM 0 HB2 PHE A 20 10.308 10.895 -2.754 1.00 61.32 H new ATOM 0 HB3 PHE A 20 12.032 10.712 -2.501 1.00 61.32 H new ATOM 0 HD1 PHE A 20 13.527 10.695 -4.634 1.00 33.44 H new ATOM 0 HD2 PHE A 20 9.519 12.131 -4.560 1.00 23.21 H new ATOM 0 HE1 PHE A 20 13.957 11.995 -6.672 1.00 10.32 H new ATOM 0 HE2 PHE A 20 9.945 13.434 -6.596 1.00 15.35 H new ATOM 0 HZ PHE A 20 12.167 13.372 -7.654 1.00 62.02 H new ATOM 317 N VAL A 21 9.411 8.458 -1.815 1.00 42.12 N ATOM 318 CA VAL A 21 8.894 7.894 -0.580 1.00 51.03 C ATOM 319 C VAL A 21 8.033 6.668 -0.863 1.00 43.21 C ATOM 320 O VAL A 21 7.574 5.994 0.056 1.00 54.24 O ATOM 321 CB VAL A 21 8.076 8.934 0.217 1.00 32.51 C ATOM 322 CG1 VAL A 21 8.955 10.107 0.616 1.00 50.42 C ATOM 323 CG2 VAL A 21 6.879 9.422 -0.586 1.00 43.21 C ATOM 0 H VAL A 21 8.713 8.931 -2.389 1.00 42.12 H new ATOM 0 HA VAL A 21 9.751 7.595 0.023 1.00 51.03 H new ATOM 0 HB VAL A 21 7.704 8.449 1.120 1.00 32.51 H new ATOM 0 HG11 VAL A 21 8.363 10.831 1.177 1.00 50.42 H new ATOM 0 HG12 VAL A 21 9.777 9.751 1.237 1.00 50.42 H new ATOM 0 HG13 VAL A 21 9.356 10.582 -0.279 1.00 50.42 H new ATOM 0 HG21 VAL A 21 6.322 10.153 -0.000 1.00 43.21 H new ATOM 0 HG22 VAL A 21 7.225 9.885 -1.510 1.00 43.21 H new ATOM 0 HG23 VAL A 21 6.232 8.578 -0.824 1.00 43.21 H new ATOM 333 N ARG A 22 7.837 6.379 -2.148 1.00 43.21 N ATOM 334 CA ARG A 22 7.039 5.235 -2.577 1.00 74.21 C ATOM 335 C ARG A 22 7.624 3.931 -2.039 1.00 14.14 C ATOM 336 O ARG A 22 6.888 3.027 -1.636 1.00 63.30 O ATOM 337 CB ARG A 22 6.954 5.195 -4.109 1.00 61.42 C ATOM 338 CG ARG A 22 6.331 3.928 -4.663 1.00 52.34 C ATOM 339 CD ARG A 22 6.259 3.951 -6.184 1.00 3.02 C ATOM 340 NE ARG A 22 5.262 4.900 -6.686 1.00 12.42 N ATOM 341 CZ ARG A 22 4.757 4.859 -7.921 1.00 53.54 C ATOM 342 NH1 ARG A 22 5.213 3.975 -8.803 1.00 30.24 N ATOM 343 NH2 ARG A 22 3.813 5.719 -8.279 1.00 21.11 N ATOM 0 H ARG A 22 8.224 6.928 -2.916 1.00 43.21 H new ATOM 0 HA ARG A 22 6.033 5.345 -2.172 1.00 74.21 H new ATOM 0 HB2 ARG A 22 6.374 6.052 -4.452 1.00 61.42 H new ATOM 0 HB3 ARG A 22 7.957 5.303 -4.521 1.00 61.42 H new ATOM 0 HG2 ARG A 22 6.913 3.065 -4.340 1.00 52.34 H new ATOM 0 HG3 ARG A 22 5.328 3.807 -4.253 1.00 52.34 H new ATOM 0 HD2 ARG A 22 7.238 4.211 -6.587 1.00 3.02 H new ATOM 0 HD3 ARG A 22 6.020 2.952 -6.548 1.00 3.02 H new ATOM 0 HE ARG A 22 4.935 5.633 -6.056 1.00 12.42 H new ATOM 0 HH11 ARG A 22 5.952 3.324 -8.537 1.00 30.24 H new ATOM 0 HH12 ARG A 22 4.824 3.948 -9.745 1.00 30.24 H new ATOM 0 HH21 ARG A 22 3.474 6.411 -7.611 1.00 21.11 H new ATOM 0 HH22 ARG A 22 3.427 5.688 -9.222 1.00 21.11 H new ATOM 357 N LYS A 23 8.952 3.846 -2.027 1.00 61.33 N ATOM 358 CA LYS A 23 9.641 2.683 -1.476 1.00 54.24 C ATOM 359 C LYS A 23 9.289 2.500 -0.005 1.00 60.41 C ATOM 360 O LYS A 23 9.062 1.383 0.457 1.00 74.21 O ATOM 361 CB LYS A 23 11.158 2.829 -1.626 1.00 53.30 C ATOM 362 CG LYS A 23 11.667 2.684 -3.054 1.00 71.35 C ATOM 363 CD LYS A 23 11.341 1.311 -3.623 1.00 52.31 C ATOM 364 CE LYS A 23 12.207 0.982 -4.832 1.00 51.41 C ATOM 365 NZ LYS A 23 12.002 1.926 -5.965 1.00 65.04 N ATOM 0 H LYS A 23 9.572 4.569 -2.393 1.00 61.33 H new ATOM 0 HA LYS A 23 9.314 1.805 -2.033 1.00 54.24 H new ATOM 0 HB2 LYS A 23 11.456 3.806 -1.245 1.00 53.30 H new ATOM 0 HB3 LYS A 23 11.646 2.081 -1.002 1.00 53.30 H new ATOM 0 HG2 LYS A 23 11.220 3.455 -3.681 1.00 71.35 H new ATOM 0 HG3 LYS A 23 12.745 2.842 -3.075 1.00 71.35 H new ATOM 0 HD2 LYS A 23 11.488 0.554 -2.853 1.00 52.31 H new ATOM 0 HD3 LYS A 23 10.290 1.276 -3.908 1.00 52.31 H new ATOM 0 HE2 LYS A 23 13.256 0.999 -4.537 1.00 51.41 H new ATOM 0 HE3 LYS A 23 11.986 -0.032 -5.166 1.00 51.41 H new ATOM 0 HZ1 LYS A 23 12.578 1.624 -6.777 1.00 65.04 H new ATOM 0 HZ2 LYS A 23 10.998 1.931 -6.236 1.00 65.04 H new ATOM 0 HZ3 LYS A 23 12.287 2.883 -5.675 1.00 65.04 H new ATOM 379 N LYS A 24 9.224 3.609 0.717 1.00 72.54 N ATOM 380 CA LYS A 24 8.912 3.581 2.139 1.00 40.12 C ATOM 381 C LYS A 24 7.467 3.156 2.364 1.00 71.32 C ATOM 382 O LYS A 24 7.178 2.344 3.243 1.00 15.14 O ATOM 383 CB LYS A 24 9.141 4.958 2.768 1.00 20.23 C ATOM 384 CG LYS A 24 10.548 5.498 2.577 1.00 72.55 C ATOM 385 CD LYS A 24 10.731 6.825 3.292 1.00 24.24 C ATOM 386 CE LYS A 24 10.548 6.675 4.793 1.00 12.44 C ATOM 387 NZ LYS A 24 10.659 7.975 5.502 1.00 31.45 N ATOM 0 H LYS A 24 9.384 4.543 0.340 1.00 72.54 H new ATOM 0 HA LYS A 24 9.575 2.857 2.613 1.00 40.12 H new ATOM 0 HB2 LYS A 24 8.430 5.665 2.339 1.00 20.23 H new ATOM 0 HB3 LYS A 24 8.927 4.899 3.835 1.00 20.23 H new ATOM 0 HG2 LYS A 24 11.272 4.776 2.955 1.00 72.55 H new ATOM 0 HG3 LYS A 24 10.750 5.625 1.513 1.00 72.55 H new ATOM 0 HD2 LYS A 24 11.726 7.219 3.083 1.00 24.24 H new ATOM 0 HD3 LYS A 24 10.014 7.550 2.907 1.00 24.24 H new ATOM 0 HE2 LYS A 24 9.572 6.234 4.996 1.00 12.44 H new ATOM 0 HE3 LYS A 24 11.297 5.985 5.182 1.00 12.44 H new ATOM 0 HZ1 LYS A 24 10.528 7.826 6.523 1.00 31.45 H new ATOM 0 HZ2 LYS A 24 11.599 8.385 5.330 1.00 31.45 H new ATOM 0 HZ3 LYS A 24 9.928 8.626 5.150 1.00 31.45 H new ATOM 401 N VAL A 25 6.562 3.709 1.561 1.00 33.45 N ATOM 402 CA VAL A 25 5.141 3.409 1.680 1.00 71.24 C ATOM 403 C VAL A 25 4.883 1.914 1.530 1.00 0.21 C ATOM 404 O VAL A 25 4.172 1.324 2.339 1.00 54.32 O ATOM 405 CB VAL A 25 4.304 4.187 0.640 1.00 33.31 C ATOM 406 CG1 VAL A 25 2.828 3.826 0.755 1.00 62.13 C ATOM 407 CG2 VAL A 25 4.501 5.685 0.816 1.00 14.11 C ATOM 0 H VAL A 25 6.790 4.370 0.818 1.00 33.45 H new ATOM 0 HA VAL A 25 4.832 3.726 2.676 1.00 71.24 H new ATOM 0 HB VAL A 25 4.647 3.905 -0.356 1.00 33.31 H new ATOM 0 HG11 VAL A 25 2.258 4.385 0.013 1.00 62.13 H new ATOM 0 HG12 VAL A 25 2.700 2.758 0.581 1.00 62.13 H new ATOM 0 HG13 VAL A 25 2.469 4.076 1.753 1.00 62.13 H new ATOM 0 HG21 VAL A 25 3.905 6.220 0.076 1.00 14.11 H new ATOM 0 HG22 VAL A 25 4.185 5.978 1.817 1.00 14.11 H new ATOM 0 HG23 VAL A 25 5.554 5.932 0.681 1.00 14.11 H new ATOM 417 N ARG A 26 5.489 1.303 0.514 1.00 43.01 N ATOM 418 CA ARG A 26 5.311 -0.126 0.278 1.00 10.22 C ATOM 419 C ARG A 26 5.787 -0.952 1.463 1.00 15.42 C ATOM 420 O ARG A 26 5.114 -1.894 1.874 1.00 15.54 O ATOM 421 CB ARG A 26 6.033 -0.588 -0.985 1.00 31.10 C ATOM 422 CG ARG A 26 5.231 -0.372 -2.253 1.00 14.44 C ATOM 423 CD ARG A 26 5.695 -1.301 -3.359 1.00 62.04 C ATOM 424 NE ARG A 26 4.825 -1.239 -4.532 1.00 10.30 N ATOM 425 CZ ARG A 26 4.675 -2.241 -5.399 1.00 35.32 C ATOM 426 NH1 ARG A 26 5.244 -3.418 -5.167 1.00 24.03 N ATOM 427 NH2 ARG A 26 3.918 -2.088 -6.473 1.00 60.41 N ATOM 0 H ARG A 26 6.102 1.771 -0.153 1.00 43.01 H new ATOM 0 HA ARG A 26 4.241 -0.283 0.144 1.00 10.22 H new ATOM 0 HB2 ARG A 26 6.980 -0.055 -1.068 1.00 31.10 H new ATOM 0 HB3 ARG A 26 6.271 -1.648 -0.891 1.00 31.10 H new ATOM 0 HG2 ARG A 26 4.173 -0.542 -2.051 1.00 14.44 H new ATOM 0 HG3 ARG A 26 5.331 0.664 -2.578 1.00 14.44 H new ATOM 0 HD2 ARG A 26 6.712 -1.039 -3.649 1.00 62.04 H new ATOM 0 HD3 ARG A 26 5.724 -2.324 -2.984 1.00 62.04 H new ATOM 0 HE ARG A 26 4.302 -0.379 -4.697 1.00 10.30 H new ATOM 0 HH11 ARG A 26 5.799 -3.559 -4.323 1.00 24.03 H new ATOM 0 HH12 ARG A 26 5.126 -4.181 -5.833 1.00 24.03 H new ATOM 0 HH21 ARG A 26 3.445 -1.200 -6.641 1.00 60.41 H new ATOM 0 HH22 ARG A 26 3.807 -2.858 -7.133 1.00 60.41 H new ATOM 441 N LYS A 27 6.940 -0.598 2.015 1.00 52.13 N ATOM 442 CA LYS A 27 7.487 -1.327 3.151 1.00 43.23 C ATOM 443 C LYS A 27 6.599 -1.147 4.382 1.00 21.03 C ATOM 444 O LYS A 27 6.413 -2.071 5.177 1.00 42.14 O ATOM 445 CB LYS A 27 8.916 -0.866 3.444 1.00 74.10 C ATOM 446 CG LYS A 27 9.616 -1.699 4.502 1.00 75.43 C ATOM 447 CD LYS A 27 11.092 -1.353 4.598 1.00 52.35 C ATOM 448 CE LYS A 27 11.805 -2.247 5.598 1.00 21.13 C ATOM 449 NZ LYS A 27 13.271 -1.998 5.627 1.00 41.41 N ATOM 0 H LYS A 27 7.512 0.185 1.697 1.00 52.13 H new ATOM 0 HA LYS A 27 7.513 -2.388 2.901 1.00 43.23 H new ATOM 0 HB2 LYS A 27 9.497 -0.901 2.522 1.00 74.10 H new ATOM 0 HB3 LYS A 27 8.894 0.175 3.768 1.00 74.10 H new ATOM 0 HG2 LYS A 27 9.140 -1.536 5.469 1.00 75.43 H new ATOM 0 HG3 LYS A 27 9.504 -2.757 4.266 1.00 75.43 H new ATOM 0 HD2 LYS A 27 11.557 -1.458 3.618 1.00 52.35 H new ATOM 0 HD3 LYS A 27 11.205 -0.310 4.894 1.00 52.35 H new ATOM 0 HE2 LYS A 27 11.390 -2.081 6.592 1.00 21.13 H new ATOM 0 HE3 LYS A 27 11.620 -3.291 5.346 1.00 21.13 H new ATOM 0 HZ1 LYS A 27 13.717 -2.630 6.323 1.00 41.41 H new ATOM 0 HZ2 LYS A 27 13.673 -2.181 4.686 1.00 41.41 H new ATOM 0 HZ3 LYS A 27 13.450 -1.009 5.893 1.00 41.41 H new ATOM 463 N ASN A 28 6.034 0.043 4.522 1.00 52.31 N ATOM 464 CA ASN A 28 5.124 0.326 5.623 1.00 42.25 C ATOM 465 C ASN A 28 3.814 -0.434 5.454 1.00 21.45 C ATOM 466 O ASN A 28 3.291 -1.002 6.413 1.00 11.44 O ATOM 467 CB ASN A 28 4.851 1.828 5.738 1.00 1.13 C ATOM 468 CG ASN A 28 5.911 2.558 6.546 1.00 42.43 C ATOM 469 OD1 ASN A 28 5.790 2.706 7.761 1.00 42.24 O ATOM 470 ND2 ASN A 28 6.954 3.022 5.879 1.00 4.35 N ATOM 0 H ASN A 28 6.189 0.827 3.888 1.00 52.31 H new ATOM 0 HA ASN A 28 5.604 -0.009 6.543 1.00 42.25 H new ATOM 0 HB2 ASN A 28 4.800 2.261 4.739 1.00 1.13 H new ATOM 0 HB3 ASN A 28 3.877 1.981 6.202 1.00 1.13 H new ATOM 0 HD21 ASN A 28 7.693 3.522 6.372 1.00 4.35 H new ATOM 0 HD22 ASN A 28 7.019 2.880 4.871 1.00 4.35 H new ATOM 477 N THR A 29 3.289 -0.457 4.233 1.00 21.02 N ATOM 478 CA THR A 29 2.061 -1.183 3.954 1.00 52.44 C ATOM 479 C THR A 29 2.287 -2.680 4.049 1.00 22.20 C ATOM 480 O THR A 29 1.400 -3.417 4.471 1.00 51.24 O ATOM 481 CB THR A 29 1.486 -0.858 2.568 1.00 44.41 C ATOM 482 OG1 THR A 29 2.506 -0.952 1.567 1.00 54.51 O ATOM 483 CG2 THR A 29 0.874 0.530 2.540 1.00 42.31 C ATOM 0 H THR A 29 3.695 0.017 3.426 1.00 21.02 H new ATOM 0 HA THR A 29 1.341 -0.863 4.707 1.00 52.44 H new ATOM 0 HB THR A 29 0.704 -1.587 2.356 1.00 44.41 H new ATOM 0 HG1 THR A 29 3.312 -1.349 1.958 1.00 54.51 H new ATOM 0 HG21 THR A 29 0.475 0.732 1.546 1.00 42.31 H new ATOM 0 HG22 THR A 29 0.069 0.587 3.273 1.00 42.31 H new ATOM 0 HG23 THR A 29 1.638 1.269 2.782 1.00 42.31 H new ATOM 491 N ASP A 30 3.477 -3.120 3.650 1.00 71.11 N ATOM 492 CA ASP A 30 3.858 -4.524 3.755 1.00 51.43 C ATOM 493 C ASP A 30 3.670 -5.009 5.180 1.00 72.11 C ATOM 494 O ASP A 30 3.015 -6.017 5.427 1.00 12.11 O ATOM 495 CB ASP A 30 5.314 -4.725 3.333 1.00 1.51 C ATOM 496 CG ASP A 30 5.789 -6.150 3.539 1.00 2.51 C ATOM 497 OD1 ASP A 30 5.525 -7.000 2.670 1.00 4.03 O ATOM 498 OD2 ASP A 30 6.449 -6.421 4.568 1.00 44.52 O ATOM 0 H ASP A 30 4.198 -2.520 3.249 1.00 71.11 H new ATOM 0 HA ASP A 30 3.218 -5.101 3.088 1.00 51.43 H new ATOM 0 HB2 ASP A 30 5.424 -4.458 2.282 1.00 1.51 H new ATOM 0 HB3 ASP A 30 5.950 -4.048 3.903 1.00 1.51 H new ATOM 503 N ASN A 31 4.215 -4.249 6.115 1.00 12.12 N ATOM 504 CA ASN A 31 4.106 -4.579 7.527 1.00 43.34 C ATOM 505 C ASN A 31 2.666 -4.482 8.009 1.00 2.51 C ATOM 506 O ASN A 31 2.257 -5.224 8.896 1.00 44.24 O ATOM 507 CB ASN A 31 5.008 -3.671 8.366 1.00 21.32 C ATOM 508 CG ASN A 31 6.468 -4.084 8.306 1.00 23.13 C ATOM 509 OD1 ASN A 31 6.934 -4.878 9.122 1.00 4.45 O ATOM 510 ND2 ASN A 31 7.204 -3.552 7.343 1.00 44.35 N ATOM 0 H ASN A 31 4.739 -3.396 5.921 1.00 12.12 H new ATOM 0 HA ASN A 31 4.435 -5.611 7.651 1.00 43.34 H new ATOM 0 HB2 ASN A 31 4.910 -2.643 8.016 1.00 21.32 H new ATOM 0 HB3 ASN A 31 4.671 -3.688 9.403 1.00 21.32 H new ATOM 0 HD21 ASN A 31 8.191 -3.797 7.261 1.00 44.35 H new ATOM 0 HD22 ASN A 31 6.785 -2.897 6.683 1.00 44.35 H new ATOM 517 N TYR A 32 1.889 -3.579 7.416 1.00 41.03 N ATOM 518 CA TYR A 32 0.500 -3.410 7.817 1.00 61.13 C ATOM 519 C TYR A 32 -0.354 -4.570 7.314 1.00 75.31 C ATOM 520 O TYR A 32 -1.058 -5.219 8.087 1.00 21.41 O ATOM 521 CB TYR A 32 -0.058 -2.082 7.300 1.00 52.34 C ATOM 522 CG TYR A 32 -1.486 -1.823 7.728 1.00 41.21 C ATOM 523 CD1 TYR A 32 -1.781 -1.428 9.028 1.00 61.32 C ATOM 524 CD2 TYR A 32 -2.541 -1.978 6.836 1.00 23.04 C ATOM 525 CE1 TYR A 32 -3.084 -1.197 9.426 1.00 71.42 C ATOM 526 CE2 TYR A 32 -3.847 -1.747 7.226 1.00 73.43 C ATOM 527 CZ TYR A 32 -4.114 -1.359 8.523 1.00 4.45 C ATOM 528 OH TYR A 32 -5.415 -1.131 8.918 1.00 74.44 O ATOM 0 H TYR A 32 2.195 -2.961 6.665 1.00 41.03 H new ATOM 0 HA TYR A 32 0.465 -3.400 8.906 1.00 61.13 H new ATOM 0 HB2 TYR A 32 0.573 -1.268 7.656 1.00 52.34 H new ATOM 0 HB3 TYR A 32 -0.006 -2.074 6.211 1.00 52.34 H new ATOM 0 HD1 TYR A 32 -0.978 -1.300 9.739 1.00 61.32 H new ATOM 0 HD2 TYR A 32 -2.337 -2.284 5.821 1.00 23.04 H new ATOM 0 HE1 TYR A 32 -3.295 -0.891 10.440 1.00 71.42 H new ATOM 0 HE2 TYR A 32 -4.654 -1.870 6.519 1.00 73.43 H new ATOM 0 HH TYR A 32 -5.428 -0.451 9.623 1.00 74.44 H new ATOM 538 N ALA A 33 -0.277 -4.830 6.017 1.00 74.30 N ATOM 539 CA ALA A 33 -1.086 -5.862 5.386 1.00 53.54 C ATOM 540 C ALA A 33 -0.686 -7.256 5.863 1.00 54.00 C ATOM 541 O ALA A 33 -1.544 -8.100 6.112 1.00 11.52 O ATOM 542 CB ALA A 33 -0.980 -5.757 3.876 1.00 13.52 C ATOM 0 H ALA A 33 0.344 -4.335 5.376 1.00 74.30 H new ATOM 0 HA ALA A 33 -2.124 -5.704 5.677 1.00 53.54 H new ATOM 0 HB1 ALA A 33 -1.589 -6.534 3.414 1.00 13.52 H new ATOM 0 HB2 ALA A 33 -1.334 -4.778 3.554 1.00 13.52 H new ATOM 0 HB3 ALA A 33 0.060 -5.884 3.575 1.00 13.52 H new ATOM 548 N ARG A 34 0.614 -7.489 6.007 1.00 75.23 N ATOM 549 CA ARG A 34 1.110 -8.764 6.520 1.00 54.22 C ATOM 550 C ARG A 34 0.654 -8.992 7.954 1.00 63.31 C ATOM 551 O ARG A 34 0.500 -10.134 8.397 1.00 4.54 O ATOM 552 CB ARG A 34 2.635 -8.815 6.454 1.00 41.01 C ATOM 553 CG ARG A 34 3.167 -9.490 5.206 1.00 2.32 C ATOM 554 CD ARG A 34 4.681 -9.391 5.123 1.00 4.51 C ATOM 555 NE ARG A 34 5.248 -10.384 4.212 1.00 53.13 N ATOM 556 CZ ARG A 34 6.428 -10.258 3.612 1.00 75.41 C ATOM 557 NH1 ARG A 34 7.117 -9.127 3.713 1.00 22.35 N ATOM 558 NH2 ARG A 34 6.897 -11.248 2.868 1.00 23.43 N ATOM 0 H ARG A 34 1.343 -6.814 5.777 1.00 75.23 H new ATOM 0 HA ARG A 34 0.698 -9.554 5.892 1.00 54.22 H new ATOM 0 HB2 ARG A 34 3.026 -7.799 6.502 1.00 41.01 H new ATOM 0 HB3 ARG A 34 3.011 -9.343 7.330 1.00 41.01 H new ATOM 0 HG2 ARG A 34 2.869 -10.538 5.203 1.00 2.32 H new ATOM 0 HG3 ARG A 34 2.722 -9.029 4.324 1.00 2.32 H new ATOM 0 HD2 ARG A 34 4.961 -8.392 4.789 1.00 4.51 H new ATOM 0 HD3 ARG A 34 5.108 -9.526 6.117 1.00 4.51 H new ATOM 0 HE ARG A 34 4.704 -11.226 4.025 1.00 53.13 H new ATOM 0 HH11 ARG A 34 6.742 -8.348 4.254 1.00 22.35 H new ATOM 0 HH12 ARG A 34 8.021 -9.038 3.250 1.00 22.35 H new ATOM 0 HH21 ARG A 34 6.353 -12.104 2.757 1.00 23.43 H new ATOM 0 HH22 ARG A 34 7.802 -11.155 2.406 1.00 23.43 H new ATOM 572 N GLU A 35 0.434 -7.902 8.673 1.00 74.43 N ATOM 573 CA GLU A 35 -0.008 -7.974 10.053 1.00 3.45 C ATOM 574 C GLU A 35 -1.480 -8.367 10.124 1.00 62.54 C ATOM 575 O GLU A 35 -1.858 -9.253 10.889 1.00 0.10 O ATOM 576 CB GLU A 35 0.212 -6.628 10.749 1.00 41.53 C ATOM 577 CG GLU A 35 -0.142 -6.619 12.227 1.00 25.32 C ATOM 578 CD GLU A 35 0.691 -7.591 13.027 1.00 4.23 C ATOM 579 OE1 GLU A 35 1.919 -7.392 13.117 1.00 20.41 O ATOM 580 OE2 GLU A 35 0.123 -8.566 13.561 1.00 62.32 O ATOM 0 H GLU A 35 0.556 -6.953 8.319 1.00 74.43 H new ATOM 0 HA GLU A 35 0.579 -8.737 10.564 1.00 3.45 H new ATOM 0 HB2 GLU A 35 1.258 -6.342 10.637 1.00 41.53 H new ATOM 0 HB3 GLU A 35 -0.383 -5.869 10.241 1.00 41.53 H new ATOM 0 HG2 GLU A 35 -0.003 -5.614 12.624 1.00 25.32 H new ATOM 0 HG3 GLU A 35 -1.197 -6.866 12.346 1.00 25.32 H new ATOM 587 N ILE A 36 -2.304 -7.713 9.312 1.00 74.05 N ATOM 588 CA ILE A 36 -3.745 -7.933 9.349 1.00 51.33 C ATOM 589 C ILE A 36 -4.151 -9.170 8.550 1.00 32.21 C ATOM 590 O ILE A 36 -5.242 -9.711 8.742 1.00 73.42 O ATOM 591 CB ILE A 36 -4.513 -6.699 8.836 1.00 2.11 C ATOM 592 CG1 ILE A 36 -4.075 -6.338 7.414 1.00 22.24 C ATOM 593 CG2 ILE A 36 -4.298 -5.522 9.780 1.00 22.01 C ATOM 594 CD1 ILE A 36 -4.766 -5.111 6.861 1.00 63.22 C ATOM 0 H ILE A 36 -1.999 -7.027 8.621 1.00 74.05 H new ATOM 0 HA ILE A 36 -4.011 -8.101 10.393 1.00 51.33 H new ATOM 0 HB ILE A 36 -5.576 -6.937 8.809 1.00 2.11 H new ATOM 0 HG12 ILE A 36 -2.998 -6.173 7.405 1.00 22.24 H new ATOM 0 HG13 ILE A 36 -4.273 -7.184 6.756 1.00 22.24 H new ATOM 0 HG21 ILE A 36 -4.844 -4.654 9.410 1.00 22.01 H new ATOM 0 HG22 ILE A 36 -4.661 -5.782 10.774 1.00 22.01 H new ATOM 0 HG23 ILE A 36 -3.235 -5.287 9.832 1.00 22.01 H new ATOM 0 HD11 ILE A 36 -4.407 -4.915 5.851 1.00 63.22 H new ATOM 0 HD12 ILE A 36 -5.843 -5.280 6.837 1.00 63.22 H new ATOM 0 HD13 ILE A 36 -4.547 -4.253 7.496 1.00 63.22 H new ATOM 606 N GLY A 37 -3.277 -9.612 7.655 1.00 12.34 N ATOM 607 CA GLY A 37 -3.526 -10.836 6.917 1.00 23.42 C ATOM 608 C GLY A 37 -4.026 -10.592 5.507 1.00 35.15 C ATOM 609 O GLY A 37 -4.935 -11.283 5.039 1.00 44.31 O ATOM 0 H GLY A 37 -2.400 -9.145 7.427 1.00 12.34 H new ATOM 0 HA2 GLY A 37 -2.607 -11.420 6.874 1.00 23.42 H new ATOM 0 HA3 GLY A 37 -4.259 -11.435 7.457 1.00 23.42 H new ATOM 613 N GLU A 38 -3.446 -9.613 4.829 1.00 55.12 N ATOM 614 CA GLU A 38 -3.789 -9.338 3.441 1.00 1.13 C ATOM 615 C GLU A 38 -2.529 -9.366 2.575 1.00 13.25 C ATOM 616 O GLU A 38 -1.685 -8.479 2.663 1.00 5.20 O ATOM 617 CB GLU A 38 -4.501 -7.984 3.299 1.00 55.25 C ATOM 618 CG GLU A 38 -5.786 -7.878 4.107 1.00 63.31 C ATOM 619 CD GLU A 38 -6.609 -6.653 3.754 1.00 5.45 C ATOM 620 OE1 GLU A 38 -6.253 -5.544 4.193 1.00 24.33 O ATOM 621 OE2 GLU A 38 -7.636 -6.800 3.056 1.00 53.15 O ATOM 0 H GLU A 38 -2.734 -8.994 5.218 1.00 55.12 H new ATOM 0 HA GLU A 38 -4.475 -10.114 3.102 1.00 1.13 H new ATOM 0 HB2 GLU A 38 -3.820 -7.192 3.611 1.00 55.25 H new ATOM 0 HB3 GLU A 38 -4.729 -7.813 2.247 1.00 55.25 H new ATOM 0 HG2 GLU A 38 -6.387 -8.772 3.942 1.00 63.31 H new ATOM 0 HG3 GLU A 38 -5.540 -7.850 5.169 1.00 63.31 H new ATOM 628 N PRO A 39 -2.368 -10.410 1.748 1.00 42.41 N ATOM 629 CA PRO A 39 -1.218 -10.534 0.849 1.00 2.43 C ATOM 630 C PRO A 39 -1.402 -9.716 -0.427 1.00 31.41 C ATOM 631 O PRO A 39 -0.490 -9.593 -1.246 1.00 40.02 O ATOM 632 CB PRO A 39 -1.193 -12.029 0.535 1.00 34.24 C ATOM 633 CG PRO A 39 -2.619 -12.459 0.622 1.00 71.23 C ATOM 634 CD PRO A 39 -3.279 -11.564 1.642 1.00 64.41 C ATOM 0 HA PRO A 39 -0.295 -10.162 1.293 1.00 2.43 H new ATOM 0 HB2 PRO A 39 -0.782 -12.218 -0.457 1.00 34.24 H new ATOM 0 HB3 PRO A 39 -0.571 -12.573 1.247 1.00 34.24 H new ATOM 0 HG2 PRO A 39 -3.110 -12.370 -0.347 1.00 71.23 H new ATOM 0 HG3 PRO A 39 -2.691 -13.505 0.921 1.00 71.23 H new ATOM 0 HD2 PRO A 39 -4.274 -11.258 1.320 1.00 64.41 H new ATOM 0 HD3 PRO A 39 -3.396 -12.070 2.601 1.00 64.41 H new ATOM 642 N VAL A 40 -2.593 -9.157 -0.576 1.00 62.13 N ATOM 643 CA VAL A 40 -2.939 -8.373 -1.747 1.00 65.03 C ATOM 644 C VAL A 40 -3.354 -6.970 -1.332 1.00 3.43 C ATOM 645 O VAL A 40 -4.284 -6.795 -0.546 1.00 2.31 O ATOM 646 CB VAL A 40 -4.083 -9.029 -2.550 1.00 20.32 C ATOM 647 CG1 VAL A 40 -4.401 -8.216 -3.800 1.00 2.03 C ATOM 648 CG2 VAL A 40 -3.718 -10.459 -2.919 1.00 43.13 C ATOM 0 H VAL A 40 -3.344 -9.235 0.110 1.00 62.13 H new ATOM 0 HA VAL A 40 -2.056 -8.324 -2.384 1.00 65.03 H new ATOM 0 HB VAL A 40 -4.975 -9.050 -1.924 1.00 20.32 H new ATOM 0 HG11 VAL A 40 -5.210 -8.696 -4.351 1.00 2.03 H new ATOM 0 HG12 VAL A 40 -4.706 -7.210 -3.512 1.00 2.03 H new ATOM 0 HG13 VAL A 40 -3.515 -8.160 -4.432 1.00 2.03 H new ATOM 0 HG21 VAL A 40 -4.534 -10.908 -3.485 1.00 43.13 H new ATOM 0 HG22 VAL A 40 -2.813 -10.458 -3.526 1.00 43.13 H new ATOM 0 HG23 VAL A 40 -3.545 -11.036 -2.011 1.00 43.13 H new ATOM 658 N VAL A 41 -2.652 -5.979 -1.850 1.00 10.54 N ATOM 659 CA VAL A 41 -2.961 -4.595 -1.554 1.00 52.11 C ATOM 660 C VAL A 41 -3.783 -3.990 -2.681 1.00 41.14 C ATOM 661 O VAL A 41 -3.299 -3.833 -3.802 1.00 61.42 O ATOM 662 CB VAL A 41 -1.687 -3.750 -1.341 1.00 43.20 C ATOM 663 CG1 VAL A 41 -2.043 -2.304 -1.013 1.00 60.45 C ATOM 664 CG2 VAL A 41 -0.826 -4.347 -0.238 1.00 43.51 C ATOM 0 H VAL A 41 -1.861 -6.109 -2.480 1.00 10.54 H new ATOM 0 HA VAL A 41 -3.533 -4.583 -0.626 1.00 52.11 H new ATOM 0 HB VAL A 41 -1.116 -3.760 -2.270 1.00 43.20 H new ATOM 0 HG11 VAL A 41 -1.129 -1.728 -0.867 1.00 60.45 H new ATOM 0 HG12 VAL A 41 -2.615 -1.875 -1.835 1.00 60.45 H new ATOM 0 HG13 VAL A 41 -2.640 -2.274 -0.101 1.00 60.45 H new ATOM 0 HG21 VAL A 41 0.067 -3.737 -0.103 1.00 43.51 H new ATOM 0 HG22 VAL A 41 -1.393 -4.372 0.693 1.00 43.51 H new ATOM 0 HG23 VAL A 41 -0.535 -5.361 -0.512 1.00 43.51 H new ATOM 674 N THR A 42 -5.034 -3.690 -2.386 1.00 51.41 N ATOM 675 CA THR A 42 -5.907 -3.024 -3.333 1.00 42.12 C ATOM 676 C THR A 42 -6.032 -1.546 -2.972 1.00 22.22 C ATOM 677 O THR A 42 -5.343 -1.066 -2.065 1.00 21.54 O ATOM 678 CB THR A 42 -7.307 -3.662 -3.331 1.00 43.50 C ATOM 679 OG1 THR A 42 -7.857 -3.612 -2.008 1.00 1.32 O ATOM 680 CG2 THR A 42 -7.252 -5.104 -3.812 1.00 34.21 C ATOM 0 H THR A 42 -5.471 -3.900 -1.489 1.00 51.41 H new ATOM 0 HA THR A 42 -5.472 -3.129 -4.327 1.00 42.12 H new ATOM 0 HB THR A 42 -7.942 -3.099 -4.015 1.00 43.50 H new ATOM 0 HG1 THR A 42 -8.768 -3.974 -2.018 1.00 1.32 H new ATOM 0 HG21 THR A 42 -8.255 -5.530 -3.800 1.00 34.21 H new ATOM 0 HG22 THR A 42 -6.857 -5.134 -4.827 1.00 34.21 H new ATOM 0 HG23 THR A 42 -6.604 -5.683 -3.153 1.00 34.21 H new ATOM 688 N ALA A 43 -6.904 -0.826 -3.673 1.00 61.40 N ATOM 689 CA ALA A 43 -7.208 0.555 -3.315 1.00 33.43 C ATOM 690 C ALA A 43 -7.765 0.611 -1.897 1.00 42.41 C ATOM 691 O ALA A 43 -7.533 1.571 -1.161 1.00 31.31 O ATOM 692 CB ALA A 43 -8.199 1.154 -4.303 1.00 22.30 C ATOM 0 H ALA A 43 -7.410 -1.174 -4.488 1.00 61.40 H new ATOM 0 HA ALA A 43 -6.290 1.142 -3.355 1.00 33.43 H new ATOM 0 HB1 ALA A 43 -8.415 2.185 -4.022 1.00 22.30 H new ATOM 0 HB2 ALA A 43 -7.771 1.134 -5.305 1.00 22.30 H new ATOM 0 HB3 ALA A 43 -9.121 0.573 -4.290 1.00 22.30 H new ATOM 698 N ASP A 44 -8.482 -0.446 -1.521 1.00 62.31 N ATOM 699 CA ASP A 44 -9.054 -0.567 -0.185 1.00 75.04 C ATOM 700 C ASP A 44 -7.960 -0.679 0.868 1.00 62.43 C ATOM 701 O ASP A 44 -7.924 0.095 1.824 1.00 45.45 O ATOM 702 CB ASP A 44 -9.976 -1.791 -0.111 1.00 54.11 C ATOM 703 CG ASP A 44 -10.472 -2.068 1.296 1.00 2.54 C ATOM 704 OD1 ASP A 44 -11.257 -1.251 1.825 1.00 41.23 O ATOM 705 OD2 ASP A 44 -10.073 -3.104 1.880 1.00 13.11 O ATOM 0 H ASP A 44 -8.681 -1.238 -2.132 1.00 62.31 H new ATOM 0 HA ASP A 44 -9.636 0.333 0.016 1.00 75.04 H new ATOM 0 HB2 ASP A 44 -10.831 -1.637 -0.769 1.00 54.11 H new ATOM 0 HB3 ASP A 44 -9.442 -2.666 -0.482 1.00 54.11 H new ATOM 710 N VAL A 45 -7.054 -1.629 0.670 1.00 75.30 N ATOM 711 CA VAL A 45 -5.978 -1.878 1.621 1.00 23.51 C ATOM 712 C VAL A 45 -5.085 -0.648 1.765 1.00 54.41 C ATOM 713 O VAL A 45 -4.597 -0.344 2.855 1.00 40.51 O ATOM 714 CB VAL A 45 -5.124 -3.091 1.190 1.00 11.41 C ATOM 715 CG1 VAL A 45 -4.072 -3.418 2.240 1.00 52.31 C ATOM 716 CG2 VAL A 45 -6.007 -4.301 0.925 1.00 22.41 C ATOM 0 H VAL A 45 -7.044 -2.242 -0.145 1.00 75.30 H new ATOM 0 HA VAL A 45 -6.438 -2.098 2.585 1.00 23.51 H new ATOM 0 HB VAL A 45 -4.610 -2.829 0.265 1.00 11.41 H new ATOM 0 HG11 VAL A 45 -3.485 -4.276 1.912 1.00 52.31 H new ATOM 0 HG12 VAL A 45 -3.415 -2.559 2.377 1.00 52.31 H new ATOM 0 HG13 VAL A 45 -4.562 -3.654 3.185 1.00 52.31 H new ATOM 0 HG21 VAL A 45 -5.387 -5.145 0.623 1.00 22.41 H new ATOM 0 HG22 VAL A 45 -6.553 -4.559 1.833 1.00 22.41 H new ATOM 0 HG23 VAL A 45 -6.715 -4.068 0.130 1.00 22.41 H new ATOM 726 N PHE A 46 -4.894 0.067 0.660 1.00 10.20 N ATOM 727 CA PHE A 46 -4.076 1.274 0.661 1.00 74.33 C ATOM 728 C PHE A 46 -4.668 2.320 1.605 1.00 45.40 C ATOM 729 O PHE A 46 -3.948 2.937 2.392 1.00 51.22 O ATOM 730 CB PHE A 46 -3.965 1.839 -0.758 1.00 12.24 C ATOM 731 CG PHE A 46 -2.925 2.914 -0.905 1.00 22.14 C ATOM 732 CD1 PHE A 46 -1.586 2.584 -1.057 1.00 20.45 C ATOM 733 CD2 PHE A 46 -3.282 4.253 -0.905 1.00 54.53 C ATOM 734 CE1 PHE A 46 -0.627 3.567 -1.203 1.00 73.43 C ATOM 735 CE2 PHE A 46 -2.325 5.240 -1.050 1.00 53.12 C ATOM 736 CZ PHE A 46 -0.995 4.896 -1.200 1.00 34.13 C ATOM 0 H PHE A 46 -5.295 -0.169 -0.248 1.00 10.20 H new ATOM 0 HA PHE A 46 -3.077 1.017 1.014 1.00 74.33 H new ATOM 0 HB2 PHE A 46 -3.733 1.026 -1.445 1.00 12.24 H new ATOM 0 HB3 PHE A 46 -4.934 2.241 -1.056 1.00 12.24 H new ATOM 0 HD1 PHE A 46 -1.290 1.545 -1.061 1.00 20.45 H new ATOM 0 HD2 PHE A 46 -4.320 4.529 -0.790 1.00 54.53 H new ATOM 0 HE1 PHE A 46 0.412 3.295 -1.320 1.00 73.43 H new ATOM 0 HE2 PHE A 46 -2.617 6.280 -1.046 1.00 53.12 H new ATOM 0 HZ PHE A 46 -0.246 5.666 -1.315 1.00 34.13 H new ATOM 746 N ARG A 47 -5.983 2.499 1.535 1.00 31.01 N ATOM 747 CA ARG A 47 -6.678 3.456 2.394 1.00 43.22 C ATOM 748 C ARG A 47 -6.564 3.057 3.859 1.00 74.40 C ATOM 749 O ARG A 47 -6.305 3.899 4.725 1.00 2.52 O ATOM 750 CB ARG A 47 -8.148 3.557 1.996 1.00 63.03 C ATOM 751 CG ARG A 47 -8.356 4.131 0.609 1.00 53.20 C ATOM 752 CD ARG A 47 -9.820 4.120 0.213 1.00 20.14 C ATOM 753 NE ARG A 47 -10.015 4.691 -1.115 1.00 52.44 N ATOM 754 CZ ARG A 47 -10.586 4.047 -2.129 1.00 52.42 C ATOM 755 NH1 ARG A 47 -11.090 2.830 -1.950 1.00 2.41 N ATOM 756 NH2 ARG A 47 -10.666 4.628 -3.321 1.00 20.32 N ATOM 0 H ARG A 47 -6.592 1.993 0.891 1.00 31.01 H new ATOM 0 HA ARG A 47 -6.205 4.430 2.264 1.00 43.22 H new ATOM 0 HB2 ARG A 47 -8.599 2.566 2.043 1.00 63.03 H new ATOM 0 HB3 ARG A 47 -8.672 4.180 2.721 1.00 63.03 H new ATOM 0 HG2 ARG A 47 -7.978 5.153 0.577 1.00 53.20 H new ATOM 0 HG3 ARG A 47 -7.779 3.555 -0.114 1.00 53.20 H new ATOM 0 HD2 ARG A 47 -10.196 3.097 0.230 1.00 20.14 H new ATOM 0 HD3 ARG A 47 -10.400 4.685 0.943 1.00 20.14 H new ATOM 0 HE ARG A 47 -9.693 5.645 -1.276 1.00 52.44 H new ATOM 0 HH11 ARG A 47 -11.040 2.387 -1.033 1.00 2.41 H new ATOM 0 HH12 ARG A 47 -11.527 2.339 -2.730 1.00 2.41 H new ATOM 0 HH21 ARG A 47 -10.290 5.566 -3.457 1.00 20.32 H new ATOM 0 HH22 ARG A 47 -11.103 4.136 -4.100 1.00 20.32 H new ATOM 770 N LYS A 48 -6.750 1.767 4.119 1.00 33.23 N ATOM 771 CA LYS A 48 -6.648 1.221 5.469 1.00 22.31 C ATOM 772 C LYS A 48 -5.258 1.474 6.044 1.00 71.12 C ATOM 773 O LYS A 48 -5.112 1.867 7.203 1.00 23.11 O ATOM 774 CB LYS A 48 -6.922 -0.287 5.442 1.00 45.43 C ATOM 775 CG LYS A 48 -8.296 -0.653 4.904 1.00 64.31 C ATOM 776 CD LYS A 48 -8.385 -2.129 4.546 1.00 31.22 C ATOM 777 CE LYS A 48 -8.245 -3.029 5.763 1.00 12.10 C ATOM 778 NZ LYS A 48 -8.301 -4.467 5.390 1.00 30.54 N ATOM 0 H LYS A 48 -6.974 1.074 3.405 1.00 33.23 H new ATOM 0 HA LYS A 48 -7.387 1.716 6.099 1.00 22.31 H new ATOM 0 HB2 LYS A 48 -6.162 -0.774 4.831 1.00 45.43 H new ATOM 0 HB3 LYS A 48 -6.821 -0.683 6.452 1.00 45.43 H new ATOM 0 HG2 LYS A 48 -9.054 -0.413 5.649 1.00 64.31 H new ATOM 0 HG3 LYS A 48 -8.514 -0.051 4.022 1.00 64.31 H new ATOM 0 HD2 LYS A 48 -9.341 -2.325 4.060 1.00 31.22 H new ATOM 0 HD3 LYS A 48 -7.605 -2.373 3.825 1.00 31.22 H new ATOM 0 HE2 LYS A 48 -7.300 -2.819 6.265 1.00 12.10 H new ATOM 0 HE3 LYS A 48 -9.040 -2.806 6.475 1.00 12.10 H new ATOM 0 HZ1 LYS A 48 -8.704 -5.014 6.177 1.00 30.54 H new ATOM 0 HZ2 LYS A 48 -8.897 -4.584 4.546 1.00 30.54 H new ATOM 0 HZ3 LYS A 48 -7.341 -4.810 5.186 1.00 30.54 H new ATOM 792 N ALA A 49 -4.246 1.252 5.212 1.00 32.10 N ATOM 793 CA ALA A 49 -2.862 1.402 5.622 1.00 40.34 C ATOM 794 C ALA A 49 -2.516 2.857 5.903 1.00 15.00 C ATOM 795 O ALA A 49 -1.961 3.167 6.953 1.00 75.30 O ATOM 796 CB ALA A 49 -1.938 0.832 4.557 1.00 41.05 C ATOM 0 H ALA A 49 -4.365 0.965 4.241 1.00 32.10 H new ATOM 0 HA ALA A 49 -2.724 0.846 6.550 1.00 40.34 H new ATOM 0 HB1 ALA A 49 -0.902 0.949 4.874 1.00 41.05 H new ATOM 0 HB2 ALA A 49 -2.156 -0.226 4.414 1.00 41.05 H new ATOM 0 HB3 ALA A 49 -2.093 1.364 3.618 1.00 41.05 H new ATOM 802 N LYS A 50 -2.863 3.747 4.971 1.00 2.22 N ATOM 803 CA LYS A 50 -2.518 5.167 5.087 1.00 10.12 C ATOM 804 C LYS A 50 -3.002 5.772 6.405 1.00 71.52 C ATOM 805 O LYS A 50 -2.339 6.647 6.967 1.00 43.24 O ATOM 806 CB LYS A 50 -3.086 5.963 3.907 1.00 70.54 C ATOM 807 CG LYS A 50 -2.414 5.653 2.577 1.00 75.31 C ATOM 808 CD LYS A 50 -0.974 6.152 2.532 1.00 51.24 C ATOM 809 CE LYS A 50 -0.867 7.554 1.933 1.00 55.24 C ATOM 810 NZ LYS A 50 -1.579 8.583 2.737 1.00 0.41 N ATOM 0 H LYS A 50 -3.383 3.510 4.126 1.00 2.22 H new ATOM 0 HA LYS A 50 -1.430 5.230 5.072 1.00 10.12 H new ATOM 0 HB2 LYS A 50 -4.153 5.756 3.821 1.00 70.54 H new ATOM 0 HB3 LYS A 50 -2.983 7.028 4.116 1.00 70.54 H new ATOM 0 HG2 LYS A 50 -2.430 4.577 2.406 1.00 75.31 H new ATOM 0 HG3 LYS A 50 -2.982 6.113 1.768 1.00 75.31 H new ATOM 0 HD2 LYS A 50 -0.562 6.157 3.541 1.00 51.24 H new ATOM 0 HD3 LYS A 50 -0.370 5.461 1.944 1.00 51.24 H new ATOM 0 HE2 LYS A 50 0.185 7.829 1.850 1.00 55.24 H new ATOM 0 HE3 LYS A 50 -1.275 7.544 0.922 1.00 55.24 H new ATOM 0 HZ1 LYS A 50 -1.233 9.528 2.475 1.00 0.41 H new ATOM 0 HZ2 LYS A 50 -2.600 8.524 2.550 1.00 0.41 H new ATOM 0 HZ3 LYS A 50 -1.402 8.417 3.748 1.00 0.41 H new ATOM 824 N GLU A 51 -4.140 5.297 6.900 1.00 2.10 N ATOM 825 CA GLU A 51 -4.684 5.784 8.163 1.00 54.10 C ATOM 826 C GLU A 51 -3.753 5.441 9.323 1.00 11.22 C ATOM 827 O GLU A 51 -3.374 6.311 10.105 1.00 55.42 O ATOM 828 CB GLU A 51 -6.066 5.184 8.416 1.00 65.12 C ATOM 829 CG GLU A 51 -6.644 5.564 9.769 1.00 63.41 C ATOM 830 CD GLU A 51 -7.950 4.860 10.071 1.00 70.31 C ATOM 831 OE1 GLU A 51 -7.915 3.647 10.369 1.00 44.11 O ATOM 832 OE2 GLU A 51 -9.013 5.522 10.022 1.00 21.25 O ATOM 0 H GLU A 51 -4.703 4.577 6.447 1.00 2.10 H new ATOM 0 HA GLU A 51 -4.773 6.868 8.095 1.00 54.10 H new ATOM 0 HB2 GLU A 51 -6.747 5.513 7.631 1.00 65.12 H new ATOM 0 HB3 GLU A 51 -6.002 4.098 8.347 1.00 65.12 H new ATOM 0 HG2 GLU A 51 -5.920 5.325 10.548 1.00 63.41 H new ATOM 0 HG3 GLU A 51 -6.802 6.642 9.801 1.00 63.41 H new ATOM 839 N HIS A 52 -3.377 4.171 9.417 1.00 63.44 N ATOM 840 CA HIS A 52 -2.541 3.698 10.515 1.00 61.04 C ATOM 841 C HIS A 52 -1.102 4.184 10.354 1.00 41.44 C ATOM 842 O HIS A 52 -0.450 4.551 11.331 1.00 43.14 O ATOM 843 CB HIS A 52 -2.591 2.166 10.589 1.00 60.32 C ATOM 844 CG HIS A 52 -1.721 1.568 11.656 1.00 42.24 C ATOM 845 ND1 HIS A 52 -2.060 1.558 12.989 1.00 74.43 N ATOM 846 CD2 HIS A 52 -0.523 0.941 11.571 1.00 32.41 C ATOM 847 CE1 HIS A 52 -1.112 0.951 13.677 1.00 75.14 C ATOM 848 NE2 HIS A 52 -0.166 0.564 12.841 1.00 20.44 N ATOM 0 H HIS A 52 -3.638 3.449 8.745 1.00 63.44 H new ATOM 0 HA HIS A 52 -2.929 4.108 11.448 1.00 61.04 H new ATOM 0 HB2 HIS A 52 -3.622 1.856 10.762 1.00 60.32 H new ATOM 0 HB3 HIS A 52 -2.293 1.758 9.623 1.00 60.32 H new ATOM 0 HD2 HIS A 52 0.046 0.769 10.669 1.00 32.41 H new ATOM 0 HE1 HIS A 52 -1.110 0.796 14.746 1.00 75.14 H new ATOM 0 HE2 HIS A 52 0.688 0.068 13.097 1.00 20.44 H new ATOM 857 N LEU A 53 -0.617 4.189 9.120 1.00 12.10 N ATOM 858 CA LEU A 53 0.747 4.616 8.837 1.00 35.43 C ATOM 859 C LEU A 53 0.915 6.106 9.114 1.00 35.53 C ATOM 860 O LEU A 53 1.984 6.554 9.522 1.00 63.42 O ATOM 861 CB LEU A 53 1.117 4.307 7.385 1.00 3.42 C ATOM 862 CG LEU A 53 1.030 2.830 6.993 1.00 30.42 C ATOM 863 CD1 LEU A 53 1.397 2.649 5.528 1.00 42.13 C ATOM 864 CD2 LEU A 53 1.928 1.986 7.888 1.00 51.55 C ATOM 0 H LEU A 53 -1.148 3.902 8.298 1.00 12.10 H new ATOM 0 HA LEU A 53 1.417 4.063 9.495 1.00 35.43 H new ATOM 0 HB2 LEU A 53 0.461 4.880 6.729 1.00 3.42 H new ATOM 0 HB3 LEU A 53 2.134 4.656 7.203 1.00 3.42 H new ATOM 0 HG LEU A 53 0.003 2.492 7.131 1.00 30.42 H new ATOM 0 HD11 LEU A 53 1.331 1.594 5.264 1.00 42.13 H new ATOM 0 HD12 LEU A 53 0.709 3.222 4.907 1.00 42.13 H new ATOM 0 HD13 LEU A 53 2.415 3.001 5.362 1.00 42.13 H new ATOM 0 HD21 LEU A 53 1.853 0.939 7.595 1.00 51.55 H new ATOM 0 HD22 LEU A 53 2.961 2.319 7.785 1.00 51.55 H new ATOM 0 HD23 LEU A 53 1.613 2.095 8.926 1.00 51.55 H new ATOM 876 N GLY A 54 -0.150 6.864 8.898 1.00 53.54 N ATOM 877 CA GLY A 54 -0.118 8.286 9.170 1.00 1.34 C ATOM 878 C GLY A 54 -0.954 8.639 10.382 1.00 33.11 C ATOM 879 O GLY A 54 -1.571 9.701 10.436 1.00 41.23 O ATOM 0 H GLY A 54 -1.039 6.518 8.538 1.00 53.54 H new ATOM 0 HA2 GLY A 54 0.912 8.603 9.333 1.00 1.34 H new ATOM 0 HA3 GLY A 54 -0.486 8.832 8.301 1.00 1.34 H new ATOM 883 N GLY A 55 -0.970 7.740 11.358 1.00 54.40 N ATOM 884 CA GLY A 55 -1.782 7.943 12.542 1.00 61.30 C ATOM 885 C GLY A 55 -1.034 8.646 13.653 1.00 11.34 C ATOM 886 O GLY A 55 -1.587 8.857 14.736 1.00 23.14 O ATOM 0 H GLY A 55 -0.434 6.872 11.350 1.00 54.40 H new ATOM 0 HA2 GLY A 55 -2.663 8.528 12.277 1.00 61.30 H new ATOM 0 HA3 GLY A 55 -2.137 6.978 12.903 1.00 61.30 H new ATOM 890 N LEU A 56 0.221 9.012 13.380 1.00 14.12 N ATOM 891 CA LEU A 56 1.068 9.694 14.360 1.00 32.42 C ATOM 892 C LEU A 56 0.367 10.935 14.892 1.00 63.45 C ATOM 893 O LEU A 56 -0.044 10.985 16.053 1.00 62.55 O ATOM 894 CB LEU A 56 2.423 10.098 13.754 1.00 72.14 C ATOM 895 CG LEU A 56 3.364 8.952 13.372 1.00 74.02 C ATOM 896 CD1 LEU A 56 2.896 8.265 12.102 1.00 21.45 C ATOM 897 CD2 LEU A 56 4.782 9.472 13.198 1.00 44.43 C ATOM 0 H LEU A 56 0.675 8.846 12.482 1.00 14.12 H new ATOM 0 HA LEU A 56 1.249 8.994 15.176 1.00 32.42 H new ATOM 0 HB2 LEU A 56 2.234 10.697 12.863 1.00 72.14 H new ATOM 0 HB3 LEU A 56 2.939 10.741 14.467 1.00 72.14 H new ATOM 0 HG LEU A 56 3.353 8.219 14.179 1.00 74.02 H new ATOM 0 HD11 LEU A 56 3.582 7.455 11.853 1.00 21.45 H new ATOM 0 HD12 LEU A 56 1.896 7.860 12.255 1.00 21.45 H new ATOM 0 HD13 LEU A 56 2.874 8.986 11.285 1.00 21.45 H new ATOM 0 HD21 LEU A 56 5.441 8.647 12.927 1.00 44.43 H new ATOM 0 HD22 LEU A 56 4.799 10.225 12.410 1.00 44.43 H new ATOM 0 HD23 LEU A 56 5.124 9.917 14.133 1.00 44.43 H new ATOM 909 N GLU A 57 0.223 11.929 14.035 1.00 35.43 N ATOM 910 CA GLU A 57 -0.505 13.123 14.393 1.00 42.51 C ATOM 911 C GLU A 57 -1.946 12.957 13.945 1.00 52.52 C ATOM 912 O GLU A 57 -2.306 13.301 12.815 1.00 23.33 O ATOM 913 CB GLU A 57 0.130 14.368 13.762 1.00 20.41 C ATOM 914 CG GLU A 57 -0.258 15.679 14.438 1.00 14.42 C ATOM 915 CD GLU A 57 -1.744 15.972 14.380 1.00 70.45 C ATOM 916 OE1 GLU A 57 -2.238 16.360 13.300 1.00 22.14 O ATOM 917 OE2 GLU A 57 -2.424 15.814 15.414 1.00 62.32 O ATOM 0 H GLU A 57 0.602 11.929 13.088 1.00 35.43 H new ATOM 0 HA GLU A 57 -0.470 13.264 15.473 1.00 42.51 H new ATOM 0 HB2 GLU A 57 1.215 14.264 13.792 1.00 20.41 H new ATOM 0 HB3 GLU A 57 -0.156 14.415 12.711 1.00 20.41 H new ATOM 0 HG2 GLU A 57 0.058 15.648 15.481 1.00 14.42 H new ATOM 0 HG3 GLU A 57 0.284 16.497 13.965 1.00 14.42 H new ATOM 924 N HIS A 58 -2.737 12.360 14.818 1.00 24.24 N ATOM 925 CA HIS A 58 -4.160 12.170 14.587 1.00 25.24 C ATOM 926 C HIS A 58 -4.754 11.500 15.812 1.00 72.44 C ATOM 927 O HIS A 58 -5.831 11.865 16.271 1.00 22.22 O ATOM 928 CB HIS A 58 -4.411 11.319 13.339 1.00 34.30 C ATOM 929 CG HIS A 58 -5.677 11.670 12.620 1.00 60.24 C ATOM 930 ND1 HIS A 58 -5.906 12.912 12.072 1.00 72.33 N ATOM 931 CD2 HIS A 58 -6.779 10.933 12.348 1.00 1.31 C ATOM 932 CE1 HIS A 58 -7.089 12.925 11.494 1.00 70.21 C ATOM 933 NE2 HIS A 58 -7.642 11.736 11.643 1.00 31.23 N ATOM 0 H HIS A 58 -2.410 11.991 15.711 1.00 24.24 H new ATOM 0 HA HIS A 58 -4.633 13.138 14.418 1.00 25.24 H new ATOM 0 HB2 HIS A 58 -3.570 11.435 12.655 1.00 34.30 H new ATOM 0 HB3 HIS A 58 -4.445 10.268 13.627 1.00 34.30 H new ATOM 0 HD2 HIS A 58 -6.948 9.905 12.632 1.00 1.31 H new ATOM 0 HE1 HIS A 58 -7.532 13.767 10.984 1.00 70.21 H new ATOM 0 HE2 HIS A 58 -8.559 11.459 11.292 1.00 31.23 H new ATOM 942 N HIS A 59 -4.022 10.502 16.325 1.00 44.13 N ATOM 943 CA HIS A 59 -4.300 9.890 17.631 1.00 13.45 C ATOM 944 C HIS A 59 -5.665 9.200 17.670 1.00 13.12 C ATOM 945 O HIS A 59 -6.150 8.841 18.745 1.00 20.41 O ATOM 946 CB HIS A 59 -4.244 10.939 18.754 1.00 2.02 C ATOM 947 CG HIS A 59 -3.014 11.801 18.750 1.00 20.14 C ATOM 948 ND1 HIS A 59 -1.738 11.308 18.918 1.00 2.02 N ATOM 949 CD2 HIS A 59 -2.876 13.141 18.598 1.00 42.01 C ATOM 950 CE1 HIS A 59 -0.874 12.303 18.869 1.00 5.33 C ATOM 951 NE2 HIS A 59 -1.537 13.425 18.675 1.00 22.24 N ATOM 0 H HIS A 59 -3.219 10.096 15.845 1.00 44.13 H new ATOM 0 HA HIS A 59 -3.526 9.138 17.786 1.00 13.45 H new ATOM 0 HB2 HIS A 59 -5.121 11.581 18.676 1.00 2.02 H new ATOM 0 HB3 HIS A 59 -4.309 10.427 19.714 1.00 2.02 H new ATOM 0 HD2 HIS A 59 -3.673 13.853 18.445 1.00 42.01 H new ATOM 0 HE1 HIS A 59 0.197 12.213 18.971 1.00 5.33 H new ATOM 0 HE2 HIS A 59 -1.122 14.353 18.595 1.00 22.24 H new ATOM 960 N HIS A 60 -6.273 8.989 16.512 1.00 60.24 N ATOM 961 CA HIS A 60 -7.640 8.496 16.465 1.00 42.35 C ATOM 962 C HIS A 60 -7.687 6.989 16.247 1.00 25.33 C ATOM 963 O HIS A 60 -7.252 6.483 15.214 1.00 2.53 O ATOM 964 CB HIS A 60 -8.437 9.207 15.363 1.00 54.24 C ATOM 965 CG HIS A 60 -9.918 8.953 15.424 1.00 60.52 C ATOM 966 ND1 HIS A 60 -10.825 9.907 15.822 1.00 63.24 N ATOM 967 CD2 HIS A 60 -10.648 7.848 15.132 1.00 75.23 C ATOM 968 CE1 HIS A 60 -12.044 9.403 15.778 1.00 61.21 C ATOM 969 NE2 HIS A 60 -11.966 8.154 15.362 1.00 53.41 N ATOM 0 H HIS A 60 -5.845 9.150 15.600 1.00 60.24 H new ATOM 0 HA HIS A 60 -8.095 8.714 17.431 1.00 42.35 H new ATOM 0 HB2 HIS A 60 -8.259 10.280 15.434 1.00 54.24 H new ATOM 0 HB3 HIS A 60 -8.062 8.885 14.391 1.00 54.24 H new ATOM 0 HD2 HIS A 60 -10.263 6.901 14.783 1.00 75.23 H new ATOM 0 HE1 HIS A 60 -12.952 9.926 16.039 1.00 61.21 H new ATOM 0 HE2 HIS A 60 -12.755 7.520 15.233 1.00 53.41 H new ATOM 978 N HIS A 61 -8.216 6.286 17.235 1.00 13.01 N ATOM 979 CA HIS A 61 -8.495 4.864 17.110 1.00 13.34 C ATOM 980 C HIS A 61 -9.770 4.686 16.287 1.00 23.33 C ATOM 981 O HIS A 61 -10.864 4.973 16.769 1.00 64.12 O ATOM 982 CB HIS A 61 -8.645 4.242 18.509 1.00 4.22 C ATOM 983 CG HIS A 61 -9.141 2.825 18.518 1.00 34.31 C ATOM 984 ND1 HIS A 61 -8.305 1.729 18.536 1.00 45.00 N ATOM 985 CD2 HIS A 61 -10.401 2.330 18.531 1.00 11.01 C ATOM 986 CE1 HIS A 61 -9.029 0.626 18.557 1.00 51.34 C ATOM 987 NE2 HIS A 61 -10.303 0.964 18.557 1.00 34.32 N ATOM 0 H HIS A 61 -8.463 6.682 18.142 1.00 13.01 H new ATOM 0 HA HIS A 61 -7.674 4.357 16.603 1.00 13.34 H new ATOM 0 HB2 HIS A 61 -7.679 4.277 19.012 1.00 4.22 H new ATOM 0 HB3 HIS A 61 -9.331 4.856 19.093 1.00 4.22 H new ATOM 0 HD2 HIS A 61 -11.315 2.906 18.522 1.00 11.01 H new ATOM 0 HE1 HIS A 61 -8.643 -0.383 18.572 1.00 51.34 H new ATOM 0 HE2 HIS A 61 -11.089 0.314 18.574 1.00 34.32 H new ATOM 996 N HIS A 62 -9.621 4.241 15.042 1.00 41.23 N ATOM 997 CA HIS A 62 -10.759 4.146 14.129 1.00 23.54 C ATOM 998 C HIS A 62 -11.791 3.144 14.636 1.00 3.24 C ATOM 999 O HIS A 62 -11.449 2.139 15.265 1.00 14.22 O ATOM 1000 CB HIS A 62 -10.303 3.779 12.702 1.00 45.24 C ATOM 1001 CG HIS A 62 -10.122 2.308 12.439 1.00 24.22 C ATOM 1002 ND1 HIS A 62 -8.911 1.663 12.542 1.00 64.42 N ATOM 1003 CD2 HIS A 62 -11.014 1.362 12.058 1.00 51.41 C ATOM 1004 CE1 HIS A 62 -9.065 0.388 12.239 1.00 72.21 C ATOM 1005 NE2 HIS A 62 -10.333 0.176 11.940 1.00 30.43 N ATOM 0 H HIS A 62 -8.731 3.942 14.643 1.00 41.23 H new ATOM 0 HA HIS A 62 -11.229 5.129 14.091 1.00 23.54 H new ATOM 0 HB2 HIS A 62 -11.034 4.170 11.994 1.00 45.24 H new ATOM 0 HB3 HIS A 62 -9.360 4.286 12.499 1.00 45.24 H new ATOM 0 HD2 HIS A 62 -12.068 1.513 11.880 1.00 51.41 H new ATOM 0 HE1 HIS A 62 -8.284 -0.358 12.236 1.00 72.21 H new ATOM 0 HE2 HIS A 62 -10.739 -0.719 11.667 1.00 30.43 H new ATOM 1014 N HIS A 63 -13.050 3.428 14.356 1.00 33.41 N ATOM 1015 CA HIS A 63 -14.138 2.545 14.731 1.00 5.51 C ATOM 1016 C HIS A 63 -14.755 1.949 13.475 1.00 70.01 C ATOM 1017 O HIS A 63 -15.493 2.674 12.775 1.00 38.27 O ATOM 1018 CB HIS A 63 -15.192 3.312 15.536 1.00 72.04 C ATOM 1019 CG HIS A 63 -16.172 2.435 16.254 1.00 11.22 C ATOM 1020 ND1 HIS A 63 -17.375 2.030 15.715 1.00 24.44 N ATOM 1021 CD2 HIS A 63 -16.120 1.898 17.494 1.00 44.21 C ATOM 1022 CE1 HIS A 63 -18.019 1.284 16.592 1.00 1.25 C ATOM 1023 NE2 HIS A 63 -17.279 1.189 17.680 1.00 73.34 N ATOM 1024 OXT HIS A 63 -14.480 0.770 13.178 1.00 38.27 O ATOM 0 H HIS A 63 -13.345 4.272 13.865 1.00 33.41 H new ATOM 0 HA HIS A 63 -13.753 1.741 15.358 1.00 5.51 H new ATOM 0 HB2 HIS A 63 -14.687 3.946 16.265 1.00 72.04 H new ATOM 0 HB3 HIS A 63 -15.738 3.973 14.863 1.00 72.04 H new ATOM 0 HD2 HIS A 63 -15.315 2.007 18.206 1.00 44.21 H new ATOM 0 HE1 HIS A 63 -18.987 0.829 16.444 1.00 1.25 H new ATOM 0 HE2 HIS A 63 -17.529 0.672 18.523 1.00 73.34 H new TER 1033 HIS A 63