USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 506 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 41 THR OG1 : rot 180:sc= -0.648 USER MOD Set 1.2: A 44 GLN : amide:sc= 0 X(o=-0.65,f=-0.65) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -2.18! K(o=-2.2!,f=-1.2) USER MOD Set 2.3: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 0.451 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0289) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -0.0464 (180deg=-0.736) USER MOD Single : A 22 HIS : no HD1:sc= -6.43! C(o=-6.4!,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 77:sc= -0.543 USER MOD Single : A 48 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-6.3!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 8:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.926 -5.437 -11.765 1.00 0.00 N ATOM 2 CA GLY A 1 6.850 -6.044 -11.004 1.00 0.00 C ATOM 3 C GLY A 1 5.914 -6.860 -11.874 1.00 0.00 C ATOM 4 O GLY A 1 6.323 -7.855 -12.473 1.00 0.00 O ATOM 0 H1 GLY A 1 8.538 -4.890 -11.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.486 -6.181 -12.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.526 -4.804 -12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.273 -6.685 -10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.282 -5.264 -10.497 1.00 0.00 H new ATOM 8 N SER A 2 4.655 -6.441 -11.942 1.00 0.00 N ATOM 9 CA SER A 2 3.657 -7.144 -12.740 1.00 0.00 C ATOM 10 C SER A 2 3.049 -6.217 -13.788 1.00 0.00 C ATOM 11 O SER A 2 2.152 -5.428 -13.491 1.00 0.00 O ATOM 12 CB SER A 2 2.556 -7.705 -11.838 1.00 0.00 C ATOM 13 OG SER A 2 2.014 -6.694 -11.006 1.00 0.00 O ATOM 0 H SER A 2 4.301 -5.618 -11.454 1.00 0.00 H new ATOM 0 HA SER A 2 4.152 -7.969 -13.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.766 -8.139 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.960 -8.509 -11.223 1.00 0.00 H new ATOM 0 HG SER A 2 1.799 -5.906 -11.547 1.00 0.00 H new ATOM 19 N SER A 3 3.544 -6.319 -15.018 1.00 0.00 N ATOM 20 CA SER A 3 3.054 -5.488 -16.111 1.00 0.00 C ATOM 21 C SER A 3 1.553 -5.680 -16.308 1.00 0.00 C ATOM 22 O SER A 3 0.932 -6.516 -15.653 1.00 0.00 O ATOM 23 CB SER A 3 3.796 -5.822 -17.406 1.00 0.00 C ATOM 24 OG SER A 3 4.973 -5.042 -17.535 1.00 0.00 O ATOM 0 H SER A 3 4.284 -6.969 -15.282 1.00 0.00 H new ATOM 0 HA SER A 3 3.239 -4.445 -15.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.054 -6.881 -17.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.142 -5.644 -18.260 1.00 0.00 H new ATOM 0 HG SER A 3 5.430 -5.275 -18.370 1.00 0.00 H new ATOM 30 N GLY A 4 0.977 -4.899 -17.216 1.00 0.00 N ATOM 31 CA GLY A 4 -0.446 -4.997 -17.484 1.00 0.00 C ATOM 32 C GLY A 4 -1.219 -3.807 -16.954 1.00 0.00 C ATOM 33 O GLY A 4 -1.527 -3.738 -15.764 1.00 0.00 O ATOM 0 H GLY A 4 1.470 -4.200 -17.771 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.605 -5.080 -18.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.836 -5.910 -17.033 1.00 0.00 H new ATOM 37 N SER A 5 -1.534 -2.865 -17.838 1.00 0.00 N ATOM 38 CA SER A 5 -2.271 -1.668 -17.451 1.00 0.00 C ATOM 39 C SER A 5 -3.199 -1.215 -18.574 1.00 0.00 C ATOM 40 O SER A 5 -2.926 -1.447 -19.751 1.00 0.00 O ATOM 41 CB SER A 5 -1.302 -0.541 -17.088 1.00 0.00 C ATOM 42 OG SER A 5 -0.692 -0.001 -18.247 1.00 0.00 O ATOM 0 H SER A 5 -1.290 -2.908 -18.827 1.00 0.00 H new ATOM 0 HA SER A 5 -2.877 -1.911 -16.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.837 0.245 -16.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.535 -0.920 -16.412 1.00 0.00 H new ATOM 0 HG SER A 5 -0.079 0.718 -17.989 1.00 0.00 H new ATOM 48 N SER A 6 -4.297 -0.566 -18.200 1.00 0.00 N ATOM 49 CA SER A 6 -5.268 -0.083 -19.174 1.00 0.00 C ATOM 50 C SER A 6 -4.859 1.282 -19.718 1.00 0.00 C ATOM 51 O SER A 6 -4.779 1.482 -20.929 1.00 0.00 O ATOM 52 CB SER A 6 -6.658 0.004 -18.541 1.00 0.00 C ATOM 53 OG SER A 6 -7.246 -1.280 -18.422 1.00 0.00 O ATOM 0 H SER A 6 -4.536 -0.363 -17.229 1.00 0.00 H new ATOM 0 HA SER A 6 -5.297 -0.791 -20.002 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.584 0.466 -17.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.298 0.645 -19.147 1.00 0.00 H new ATOM 0 HG SER A 6 -8.133 -1.197 -18.013 1.00 0.00 H new ATOM 59 N GLY A 7 -4.601 2.220 -18.812 1.00 0.00 N ATOM 60 CA GLY A 7 -4.203 3.555 -19.218 1.00 0.00 C ATOM 61 C GLY A 7 -3.307 4.229 -18.198 1.00 0.00 C ATOM 62 O GLY A 7 -2.399 3.605 -17.649 1.00 0.00 O ATOM 0 H GLY A 7 -4.661 2.079 -17.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.683 3.500 -20.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.093 4.164 -19.374 1.00 0.00 H new ATOM 66 N LYS A 8 -3.560 5.509 -17.944 1.00 0.00 N ATOM 67 CA LYS A 8 -2.770 6.270 -16.984 1.00 0.00 C ATOM 68 C LYS A 8 -3.137 5.888 -15.553 1.00 0.00 C ATOM 69 O LYS A 8 -4.145 6.348 -15.016 1.00 0.00 O ATOM 70 CB LYS A 8 -2.982 7.771 -17.193 1.00 0.00 C ATOM 71 CG LYS A 8 -2.044 8.381 -18.220 1.00 0.00 C ATOM 72 CD LYS A 8 -2.547 8.157 -19.636 1.00 0.00 C ATOM 73 CE LYS A 8 -1.425 8.293 -20.654 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.234 9.705 -21.084 1.00 0.00 N ATOM 0 H LYS A 8 -4.307 6.041 -18.391 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.719 6.032 -17.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.012 7.944 -17.506 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.848 8.284 -16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.944 9.450 -18.033 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.051 7.944 -18.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.991 7.165 -19.713 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.334 8.877 -19.862 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.497 7.916 -20.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.647 7.675 -21.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.461 9.755 -21.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.111 10.058 -21.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.996 10.290 -20.258 1.00 0.00 H new ATOM 88 N LYS A 9 -2.312 5.045 -14.941 1.00 0.00 N ATOM 89 CA LYS A 9 -2.548 4.603 -13.571 1.00 0.00 C ATOM 90 C LYS A 9 -1.234 4.476 -12.807 1.00 0.00 C ATOM 91 O LYS A 9 -0.217 4.061 -13.363 1.00 0.00 O ATOM 92 CB LYS A 9 -3.285 3.262 -13.566 1.00 0.00 C ATOM 93 CG LYS A 9 -3.455 2.667 -12.179 1.00 0.00 C ATOM 94 CD LYS A 9 -4.764 3.104 -11.542 1.00 0.00 C ATOM 95 CE LYS A 9 -4.589 4.375 -10.725 1.00 0.00 C ATOM 96 NZ LYS A 9 -3.917 4.110 -9.423 1.00 0.00 N ATOM 0 H LYS A 9 -1.474 4.654 -15.372 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.166 5.352 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.268 3.395 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.740 2.555 -14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.425 1.579 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.622 2.972 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.511 3.269 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.142 2.307 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.003 5.096 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.564 4.828 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.373 4.948 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.633 3.898 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.275 3.298 -9.523 1.00 0.00 H new ATOM 110 N THR A 10 -1.262 4.836 -11.527 1.00 0.00 N ATOM 111 CA THR A 10 -0.074 4.762 -10.686 1.00 0.00 C ATOM 112 C THR A 10 0.214 3.325 -10.267 1.00 0.00 C ATOM 113 O THR A 10 -0.693 2.588 -9.881 1.00 0.00 O ATOM 114 CB THR A 10 -0.223 5.633 -9.425 1.00 0.00 C ATOM 115 OG1 THR A 10 -0.636 6.955 -9.788 1.00 0.00 O ATOM 116 CG2 THR A 10 1.087 5.699 -8.654 1.00 0.00 C ATOM 0 H THR A 10 -2.095 5.182 -11.051 1.00 0.00 H new ATOM 0 HA THR A 10 0.758 5.138 -11.281 1.00 0.00 H new ATOM 0 HB THR A 10 -0.980 5.179 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.730 7.502 -8.980 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.957 6.320 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.383 4.694 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.861 6.130 -9.288 1.00 0.00 H new ATOM 124 N GLU A 11 1.483 2.934 -10.344 1.00 0.00 N ATOM 125 CA GLU A 11 1.889 1.584 -9.971 1.00 0.00 C ATOM 126 C GLU A 11 2.879 1.614 -8.811 1.00 0.00 C ATOM 127 O GLU A 11 3.879 2.331 -8.853 1.00 0.00 O ATOM 128 CB GLU A 11 2.513 0.866 -11.170 1.00 0.00 C ATOM 129 CG GLU A 11 1.601 0.801 -12.383 1.00 0.00 C ATOM 130 CD GLU A 11 2.194 -0.013 -13.516 1.00 0.00 C ATOM 131 OE1 GLU A 11 3.014 -0.912 -13.236 1.00 0.00 O ATOM 132 OE2 GLU A 11 1.836 0.247 -14.684 1.00 0.00 O ATOM 0 H GLU A 11 2.246 3.532 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 11 1.000 1.040 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.436 1.375 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.784 -0.148 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.645 0.367 -12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.398 1.812 -12.735 1.00 0.00 H new ATOM 139 N TRP A 12 2.593 0.832 -7.776 1.00 0.00 N ATOM 140 CA TRP A 12 3.458 0.769 -6.603 1.00 0.00 C ATOM 141 C TRP A 12 4.614 -0.197 -6.831 1.00 0.00 C ATOM 142 O TRP A 12 4.444 -1.251 -7.445 1.00 0.00 O ATOM 143 CB TRP A 12 2.654 0.342 -5.374 1.00 0.00 C ATOM 144 CG TRP A 12 1.679 1.382 -4.911 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.649 1.918 -5.631 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.644 2.013 -3.627 1.00 0.00 C ATOM 147 NE1 TRP A 12 -0.024 2.844 -4.870 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.566 2.920 -3.637 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.417 1.899 -2.468 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.245 3.707 -2.534 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.098 2.681 -1.374 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.019 3.575 -1.413 1.00 0.00 C ATOM 0 H TRP A 12 1.769 0.233 -7.725 1.00 0.00 H new ATOM 0 HA TRP A 12 3.869 1.764 -6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.113 -0.576 -5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.342 0.112 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.400 1.653 -6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.832 3.387 -5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.249 1.212 -2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.585 4.397 -2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.690 2.602 -0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.794 4.171 -0.541 1.00 0.00 H new ATOM 163 N SER A 13 5.791 0.167 -6.332 1.00 0.00 N ATOM 164 CA SER A 13 6.977 -0.668 -6.484 1.00 0.00 C ATOM 165 C SER A 13 7.378 -1.291 -5.150 1.00 0.00 C ATOM 166 O SER A 13 6.985 -0.813 -4.086 1.00 0.00 O ATOM 167 CB SER A 13 8.138 0.156 -7.045 1.00 0.00 C ATOM 168 OG SER A 13 7.925 0.476 -8.409 1.00 0.00 O ATOM 0 H SER A 13 5.949 1.034 -5.819 1.00 0.00 H new ATOM 0 HA SER A 13 6.739 -1.470 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.250 1.073 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.068 -0.402 -6.940 1.00 0.00 H new ATOM 0 HG SER A 13 8.680 1.004 -8.743 1.00 0.00 H new ATOM 174 N ARG A 14 8.164 -2.361 -5.216 1.00 0.00 N ATOM 175 CA ARG A 14 8.618 -3.051 -4.015 1.00 0.00 C ATOM 176 C ARG A 14 8.834 -2.065 -2.871 1.00 0.00 C ATOM 177 O ARG A 14 8.146 -2.123 -1.852 1.00 0.00 O ATOM 178 CB ARG A 14 9.914 -3.812 -4.298 1.00 0.00 C ATOM 179 CG ARG A 14 10.422 -4.612 -3.109 1.00 0.00 C ATOM 180 CD ARG A 14 11.352 -5.733 -3.549 1.00 0.00 C ATOM 181 NE ARG A 14 12.746 -5.300 -3.596 1.00 0.00 N ATOM 182 CZ ARG A 14 13.288 -4.682 -4.640 1.00 0.00 C ATOM 183 NH1 ARG A 14 12.558 -4.426 -5.716 1.00 0.00 N ATOM 184 NH2 ARG A 14 14.564 -4.319 -4.607 1.00 0.00 N ATOM 0 H ARG A 14 8.499 -2.769 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 14 7.845 -3.761 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.753 -4.488 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.683 -3.102 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.948 -3.950 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.577 -5.032 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.256 -6.574 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.050 -6.090 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 14 13.335 -5.482 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.577 -4.704 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.977 -3.951 -6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.129 -4.514 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.980 -3.845 -5.408 1.00 0.00 H new ATOM 198 N GLU A 15 9.793 -1.161 -3.047 1.00 0.00 N ATOM 199 CA GLU A 15 10.099 -0.164 -2.028 1.00 0.00 C ATOM 200 C GLU A 15 8.820 0.421 -1.437 1.00 0.00 C ATOM 201 O GLU A 15 8.559 0.288 -0.242 1.00 0.00 O ATOM 202 CB GLU A 15 10.958 0.955 -2.620 1.00 0.00 C ATOM 203 CG GLU A 15 11.960 1.538 -1.638 1.00 0.00 C ATOM 204 CD GLU A 15 11.390 2.696 -0.841 1.00 0.00 C ATOM 205 OE1 GLU A 15 10.525 3.418 -1.382 1.00 0.00 O ATOM 206 OE2 GLU A 15 11.807 2.880 0.321 1.00 0.00 O ATOM 0 H GLU A 15 10.371 -1.099 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 15 10.655 -0.656 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.494 0.570 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.306 1.752 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.288 0.757 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.842 1.876 -2.182 1.00 0.00 H new ATOM 213 N GLU A 16 8.025 1.068 -2.284 1.00 0.00 N ATOM 214 CA GLU A 16 6.774 1.674 -1.845 1.00 0.00 C ATOM 215 C GLU A 16 5.952 0.689 -1.020 1.00 0.00 C ATOM 216 O GLU A 16 5.339 1.061 -0.020 1.00 0.00 O ATOM 217 CB GLU A 16 5.961 2.148 -3.052 1.00 0.00 C ATOM 218 CG GLU A 16 6.430 3.478 -3.617 1.00 0.00 C ATOM 219 CD GLU A 16 7.488 3.314 -4.691 1.00 0.00 C ATOM 220 OE1 GLU A 16 7.141 2.861 -5.802 1.00 0.00 O ATOM 221 OE2 GLU A 16 8.663 3.639 -4.421 1.00 0.00 O ATOM 0 H GLU A 16 8.225 1.186 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 16 7.016 2.532 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.014 1.391 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.914 2.235 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.576 4.014 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.829 4.091 -2.809 1.00 0.00 H new ATOM 228 N GLU A 17 5.946 -0.570 -1.446 1.00 0.00 N ATOM 229 CA GLU A 17 5.198 -1.609 -0.747 1.00 0.00 C ATOM 230 C GLU A 17 5.817 -1.900 0.617 1.00 0.00 C ATOM 231 O GLU A 17 5.201 -1.655 1.654 1.00 0.00 O ATOM 232 CB GLU A 17 5.156 -2.889 -1.584 1.00 0.00 C ATOM 233 CG GLU A 17 4.271 -2.784 -2.814 1.00 0.00 C ATOM 234 CD GLU A 17 4.031 -4.126 -3.478 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.036 -5.150 -2.764 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.838 -4.151 -4.711 1.00 0.00 O ATOM 0 H GLU A 17 6.450 -0.895 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 17 4.180 -1.249 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.169 -3.142 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.801 -3.709 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.313 -2.347 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.732 -2.105 -3.532 1.00 0.00 H new ATOM 243 N GLU A 18 7.039 -2.425 0.606 1.00 0.00 N ATOM 244 CA GLU A 18 7.740 -2.751 1.842 1.00 0.00 C ATOM 245 C GLU A 18 7.465 -1.703 2.917 1.00 0.00 C ATOM 246 O GLU A 18 6.994 -2.024 4.008 1.00 0.00 O ATOM 247 CB GLU A 18 9.245 -2.854 1.589 1.00 0.00 C ATOM 248 CG GLU A 18 9.622 -3.942 0.597 1.00 0.00 C ATOM 249 CD GLU A 18 9.880 -5.278 1.267 1.00 0.00 C ATOM 250 OE1 GLU A 18 11.027 -5.513 1.702 1.00 0.00 O ATOM 251 OE2 GLU A 18 8.934 -6.089 1.355 1.00 0.00 O ATOM 0 H GLU A 18 7.563 -2.633 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 18 7.371 -3.714 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.609 -1.895 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.752 -3.045 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.822 -4.055 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.513 -3.636 0.049 1.00 0.00 H new ATOM 258 N LYS A 19 7.763 -0.447 2.600 1.00 0.00 N ATOM 259 CA LYS A 19 7.548 0.650 3.535 1.00 0.00 C ATOM 260 C LYS A 19 6.075 0.760 3.917 1.00 0.00 C ATOM 261 O LYS A 19 5.741 1.116 5.047 1.00 0.00 O ATOM 262 CB LYS A 19 8.027 1.969 2.925 1.00 0.00 C ATOM 263 CG LYS A 19 6.944 2.718 2.167 1.00 0.00 C ATOM 264 CD LYS A 19 7.530 3.572 1.055 1.00 0.00 C ATOM 265 CE LYS A 19 8.122 4.863 1.598 1.00 0.00 C ATOM 266 NZ LYS A 19 9.507 4.668 2.108 1.00 0.00 N ATOM 0 H LYS A 19 8.154 -0.164 1.702 1.00 0.00 H new ATOM 0 HA LYS A 19 8.124 0.443 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.411 2.609 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.858 1.766 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.235 2.006 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.387 3.351 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.302 3.009 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.754 3.805 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.128 5.618 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.490 5.243 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.047 5.549 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.473 4.412 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.970 3.906 1.573 1.00 0.00 H new ATOM 280 N LEU A 20 5.198 0.450 2.968 1.00 0.00 N ATOM 281 CA LEU A 20 3.760 0.512 3.205 1.00 0.00 C ATOM 282 C LEU A 20 3.344 -0.478 4.288 1.00 0.00 C ATOM 283 O LEU A 20 2.699 -0.106 5.269 1.00 0.00 O ATOM 284 CB LEU A 20 2.997 0.221 1.912 1.00 0.00 C ATOM 285 CG LEU A 20 1.484 0.436 1.962 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.162 1.883 2.301 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.845 0.041 0.639 1.00 0.00 C ATOM 0 H LEU A 20 5.458 0.153 2.027 1.00 0.00 H new ATOM 0 HA LEU A 20 3.516 1.518 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.407 0.850 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.187 -0.814 1.626 1.00 0.00 H new ATOM 0 HG LEU A 20 1.071 -0.200 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.081 2.017 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.587 2.132 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.587 2.538 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.232 0.201 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.262 0.650 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.046 -1.011 0.438 1.00 0.00 H new ATOM 299 N LEU A 21 3.718 -1.739 4.105 1.00 0.00 N ATOM 300 CA LEU A 21 3.386 -2.784 5.068 1.00 0.00 C ATOM 301 C LEU A 21 3.871 -2.411 6.465 1.00 0.00 C ATOM 302 O LEU A 21 3.213 -2.710 7.462 1.00 0.00 O ATOM 303 CB LEU A 21 4.004 -4.116 4.639 1.00 0.00 C ATOM 304 CG LEU A 21 3.384 -4.779 3.409 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.275 -5.735 3.820 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.855 -3.727 2.446 1.00 0.00 C ATOM 0 H LEU A 21 4.252 -2.063 3.298 1.00 0.00 H new ATOM 0 HA LEU A 21 2.301 -2.887 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.064 -3.956 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.935 -4.812 5.475 1.00 0.00 H new ATOM 0 HG LEU A 21 4.159 -5.352 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.845 -6.198 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.684 -6.509 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.500 -5.185 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.417 -4.217 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.095 -3.126 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.674 -3.083 2.126 1.00 0.00 H new ATOM 318 N HIS A 22 5.024 -1.754 6.529 1.00 0.00 N ATOM 319 CA HIS A 22 5.596 -1.337 7.805 1.00 0.00 C ATOM 320 C HIS A 22 4.752 -0.240 8.446 1.00 0.00 C ATOM 321 O HIS A 22 4.249 -0.401 9.559 1.00 0.00 O ATOM 322 CB HIS A 22 7.030 -0.843 7.608 1.00 0.00 C ATOM 323 CG HIS A 22 7.742 -0.543 8.891 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.189 -1.525 9.751 1.00 0.00 N ATOM 325 CD2 HIS A 22 8.085 0.637 9.458 1.00 0.00 C ATOM 326 CE1 HIS A 22 8.775 -0.961 10.792 1.00 0.00 C ATOM 327 NE2 HIS A 22 8.726 0.350 10.639 1.00 0.00 N ATOM 0 H HIS A 22 5.581 -1.499 5.713 1.00 0.00 H new ATOM 0 HA HIS A 22 5.605 -2.200 8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.593 -1.597 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.014 0.056 6.992 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.891 1.621 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.219 -1.483 11.627 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.103 1.038 11.291 1.00 0.00 H new ATOM 336 N LEU A 23 4.600 0.874 7.739 1.00 0.00 N ATOM 337 CA LEU A 23 3.817 1.998 8.239 1.00 0.00 C ATOM 338 C LEU A 23 2.394 1.563 8.575 1.00 0.00 C ATOM 339 O LEU A 23 1.950 1.685 9.717 1.00 0.00 O ATOM 340 CB LEU A 23 3.788 3.125 7.206 1.00 0.00 C ATOM 341 CG LEU A 23 4.958 4.108 7.251 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.249 4.656 5.863 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.664 5.242 8.223 1.00 0.00 C ATOM 0 H LEU A 23 5.009 1.023 6.817 1.00 0.00 H new ATOM 0 HA LEU A 23 4.291 2.362 9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.753 2.679 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.863 3.686 7.336 1.00 0.00 H new ATOM 0 HG LEU A 23 5.842 3.575 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.085 5.354 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.504 3.834 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.368 5.173 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.507 5.932 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.768 5.773 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.506 4.834 9.221 1.00 0.00 H new ATOM 355 N ALA A 24 1.684 1.055 7.573 1.00 0.00 N ATOM 356 CA ALA A 24 0.313 0.598 7.763 1.00 0.00 C ATOM 357 C ALA A 24 0.144 -0.085 9.116 1.00 0.00 C ATOM 358 O ALA A 24 -0.797 0.202 9.855 1.00 0.00 O ATOM 359 CB ALA A 24 -0.089 -0.346 6.640 1.00 0.00 C ATOM 0 H ALA A 24 2.036 0.950 6.621 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.340 1.470 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.115 -0.679 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.016 0.173 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.576 -1.209 6.635 1.00 0.00 H new ATOM 365 N LYS A 25 1.063 -0.991 9.435 1.00 0.00 N ATOM 366 CA LYS A 25 1.017 -1.716 10.699 1.00 0.00 C ATOM 367 C LYS A 25 1.292 -0.781 11.873 1.00 0.00 C ATOM 368 O LYS A 25 0.642 -0.869 12.916 1.00 0.00 O ATOM 369 CB LYS A 25 2.036 -2.857 10.694 1.00 0.00 C ATOM 370 CG LYS A 25 2.249 -3.489 12.059 1.00 0.00 C ATOM 371 CD LYS A 25 3.418 -4.460 12.047 1.00 0.00 C ATOM 372 CE LYS A 25 4.098 -4.529 13.406 1.00 0.00 C ATOM 373 NZ LYS A 25 4.701 -5.868 13.657 1.00 0.00 N ATOM 0 H LYS A 25 1.849 -1.240 8.835 1.00 0.00 H new ATOM 0 HA LYS A 25 0.016 -2.131 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.705 -3.625 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.990 -2.480 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.430 -2.709 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.343 -4.013 12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.066 -5.452 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.141 -4.151 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.873 -3.765 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.372 -4.305 14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.155 -5.875 14.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.958 -6.595 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.413 -6.071 12.926 1.00 0.00 H new ATOM 387 N LEU A 26 2.256 0.116 11.695 1.00 0.00 N ATOM 388 CA LEU A 26 2.615 1.069 12.739 1.00 0.00 C ATOM 389 C LEU A 26 1.426 1.952 13.104 1.00 0.00 C ATOM 390 O LEU A 26 1.046 2.047 14.270 1.00 0.00 O ATOM 391 CB LEU A 26 3.788 1.938 12.281 1.00 0.00 C ATOM 392 CG LEU A 26 5.138 1.231 12.153 1.00 0.00 C ATOM 393 CD1 LEU A 26 5.977 1.877 11.062 1.00 0.00 C ATOM 394 CD2 LEU A 26 5.879 1.252 13.482 1.00 0.00 C ATOM 0 H LEU A 26 2.802 0.203 10.838 1.00 0.00 H new ATOM 0 HA LEU A 26 2.911 0.506 13.624 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.536 2.374 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.898 2.764 12.984 1.00 0.00 H new ATOM 0 HG LEU A 26 4.958 0.192 11.877 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.934 1.361 10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.451 1.809 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.149 2.925 11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.837 0.745 13.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.048 2.284 13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.283 0.742 14.239 1.00 0.00 H new ATOM 406 N MET A 27 0.841 2.594 12.098 1.00 0.00 N ATOM 407 CA MET A 27 -0.308 3.466 12.313 1.00 0.00 C ATOM 408 C MET A 27 -1.388 3.210 11.267 1.00 0.00 C ATOM 409 O MET A 27 -1.462 3.883 10.238 1.00 0.00 O ATOM 410 CB MET A 27 0.123 4.933 12.269 1.00 0.00 C ATOM 411 CG MET A 27 1.400 5.215 13.044 1.00 0.00 C ATOM 412 SD MET A 27 1.904 6.943 12.949 1.00 0.00 S ATOM 413 CE MET A 27 2.915 6.921 11.470 1.00 0.00 C ATOM 0 H MET A 27 1.144 2.527 11.126 1.00 0.00 H new ATOM 0 HA MET A 27 -0.721 3.245 13.297 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.265 5.230 11.230 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.680 5.551 12.670 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.254 4.940 14.089 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.201 4.585 12.657 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.301 7.922 11.278 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.748 6.231 11.609 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.312 6.596 10.622 1.00 0.00 H new ATOM 423 N PRO A 28 -2.246 2.214 11.532 1.00 0.00 N ATOM 424 CA PRO A 28 -3.337 1.846 10.625 1.00 0.00 C ATOM 425 C PRO A 28 -4.432 2.907 10.576 1.00 0.00 C ATOM 426 O PRO A 28 -5.327 2.852 9.732 1.00 0.00 O ATOM 427 CB PRO A 28 -3.878 0.548 11.229 1.00 0.00 C ATOM 428 CG PRO A 28 -3.521 0.624 12.673 1.00 0.00 C ATOM 429 CD PRO A 28 -2.217 1.369 12.738 1.00 0.00 C ATOM 0 HA PRO A 28 -2.994 1.743 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.956 0.467 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.430 -0.326 10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.295 1.142 13.240 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.423 -0.372 13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.141 1.967 13.646 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.365 0.689 12.732 1.00 0.00 H new ATOM 437 N THR A 29 -4.354 3.874 11.485 1.00 0.00 N ATOM 438 CA THR A 29 -5.338 4.947 11.546 1.00 0.00 C ATOM 439 C THR A 29 -4.678 6.309 11.370 1.00 0.00 C ATOM 440 O THR A 29 -5.161 7.315 11.890 1.00 0.00 O ATOM 441 CB THR A 29 -6.107 4.930 12.881 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.185 4.954 13.977 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.990 3.696 12.981 1.00 0.00 C ATOM 0 H THR A 29 -3.619 3.936 12.189 1.00 0.00 H new ATOM 0 HA THR A 29 -6.040 4.778 10.729 1.00 0.00 H new ATOM 0 HB THR A 29 -6.742 5.815 12.921 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.681 4.945 14.822 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.523 3.706 13.932 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.709 3.696 12.162 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.372 2.800 12.921 1.00 0.00 H new ATOM 451 N GLN A 30 -3.571 6.335 10.634 1.00 0.00 N ATOM 452 CA GLN A 30 -2.845 7.575 10.390 1.00 0.00 C ATOM 453 C GLN A 30 -2.455 7.698 8.920 1.00 0.00 C ATOM 454 O GLN A 30 -1.367 8.173 8.595 1.00 0.00 O ATOM 455 CB GLN A 30 -1.595 7.640 11.268 1.00 0.00 C ATOM 456 CG GLN A 30 -1.899 7.781 12.751 1.00 0.00 C ATOM 457 CD GLN A 30 -2.918 8.866 13.037 1.00 0.00 C ATOM 458 OE1 GLN A 30 -2.760 10.010 12.609 1.00 0.00 O ATOM 459 NE2 GLN A 30 -3.972 8.513 13.764 1.00 0.00 N ATOM 0 H GLN A 30 -3.158 5.511 10.197 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.502 8.407 10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.004 6.738 11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.981 8.483 10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.269 6.830 13.134 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.977 8.003 13.288 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.063 7.554 14.098 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.691 9.201 13.988 1.00 0.00 H new ATOM 468 N TRP A 31 -3.349 7.267 8.038 1.00 0.00 N ATOM 469 CA TRP A 31 -3.098 7.328 6.603 1.00 0.00 C ATOM 470 C TRP A 31 -2.717 8.742 6.177 1.00 0.00 C ATOM 471 O TRP A 31 -1.865 8.929 5.309 1.00 0.00 O ATOM 472 CB TRP A 31 -4.333 6.864 5.828 1.00 0.00 C ATOM 473 CG TRP A 31 -4.816 5.506 6.239 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.966 5.217 6.916 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.162 4.255 6.001 1.00 0.00 C ATOM 476 NE1 TRP A 31 -6.067 3.861 7.114 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.973 3.248 6.561 1.00 0.00 C ATOM 478 CE3 TRP A 31 -2.972 3.887 5.368 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.630 1.900 6.507 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.632 2.549 5.315 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.459 1.568 5.881 1.00 0.00 C ATOM 0 H TRP A 31 -4.254 6.871 8.291 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.265 6.663 6.376 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.136 7.587 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.102 6.853 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.690 5.947 7.247 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.832 3.387 7.595 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.329 4.635 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.265 1.143 6.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.714 2.254 4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.166 0.530 5.822 1.00 0.00 H new ATOM 492 N ARG A 32 -3.353 9.732 6.794 1.00 0.00 N ATOM 493 CA ARG A 32 -3.080 11.129 6.477 1.00 0.00 C ATOM 494 C ARG A 32 -1.632 11.487 6.798 1.00 0.00 C ATOM 495 O ARG A 32 -1.088 12.458 6.270 1.00 0.00 O ATOM 496 CB ARG A 32 -4.027 12.045 7.254 1.00 0.00 C ATOM 497 CG ARG A 32 -4.344 13.345 6.534 1.00 0.00 C ATOM 498 CD ARG A 32 -5.731 13.856 6.892 1.00 0.00 C ATOM 499 NE ARG A 32 -6.777 12.905 6.526 1.00 0.00 N ATOM 500 CZ ARG A 32 -7.123 12.640 5.272 1.00 0.00 C ATOM 501 NH1 ARG A 32 -6.509 13.251 4.268 1.00 0.00 N ATOM 502 NH2 ARG A 32 -8.084 11.761 5.019 1.00 0.00 N ATOM 0 H ARG A 32 -4.060 9.593 7.516 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.243 11.271 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.957 11.511 7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.583 12.275 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.599 14.097 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.279 13.191 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.779 14.053 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.910 14.804 6.385 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.269 12.418 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.769 13.927 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.777 13.045 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.558 11.288 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.349 11.558 4.055 1.00 0.00 H new ATOM 516 N THR A 33 -1.011 10.696 7.668 1.00 0.00 N ATOM 517 CA THR A 33 0.373 10.930 8.062 1.00 0.00 C ATOM 518 C THR A 33 1.327 10.047 7.265 1.00 0.00 C ATOM 519 O THR A 33 2.429 10.469 6.912 1.00 0.00 O ATOM 520 CB THR A 33 0.581 10.666 9.565 1.00 0.00 C ATOM 521 OG1 THR A 33 -0.309 11.483 10.333 1.00 0.00 O ATOM 522 CG2 THR A 33 2.019 10.954 9.970 1.00 0.00 C ATOM 0 H THR A 33 -1.445 9.887 8.113 1.00 0.00 H new ATOM 0 HA THR A 33 0.590 11.977 7.852 1.00 0.00 H new ATOM 0 HB THR A 33 0.368 9.615 9.760 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.172 11.308 11.288 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.143 10.761 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.692 10.310 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.254 11.998 9.761 1.00 0.00 H new ATOM 530 N ILE A 34 0.897 8.821 6.985 1.00 0.00 N ATOM 531 CA ILE A 34 1.714 7.880 6.229 1.00 0.00 C ATOM 532 C ILE A 34 1.781 8.271 4.756 1.00 0.00 C ATOM 533 O ILE A 34 2.745 7.950 4.062 1.00 0.00 O ATOM 534 CB ILE A 34 1.170 6.444 6.343 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.156 5.995 7.805 1.00 0.00 C ATOM 536 CG2 ILE A 34 2.004 5.493 5.499 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.384 4.715 8.037 1.00 0.00 C ATOM 0 H ILE A 34 -0.012 8.457 7.270 1.00 0.00 H new ATOM 0 HA ILE A 34 2.715 7.915 6.658 1.00 0.00 H new ATOM 0 HB ILE A 34 0.147 6.428 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.183 5.857 8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.722 6.787 8.416 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.607 4.482 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.967 5.805 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.037 5.510 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.417 4.457 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.652 4.854 7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.831 3.910 7.454 1.00 0.00 H new ATOM 549 N ALA A 35 0.751 8.968 4.287 1.00 0.00 N ATOM 550 CA ALA A 35 0.695 9.406 2.898 1.00 0.00 C ATOM 551 C ALA A 35 1.943 10.197 2.521 1.00 0.00 C ATOM 552 O ALA A 35 2.685 9.834 1.608 1.00 0.00 O ATOM 553 CB ALA A 35 -0.554 10.242 2.658 1.00 0.00 C ATOM 0 H ALA A 35 -0.055 9.241 4.849 1.00 0.00 H new ATOM 0 HA ALA A 35 0.653 8.520 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.583 10.562 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.439 9.645 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.536 11.118 3.307 1.00 0.00 H new ATOM 559 N PRO A 36 2.182 11.305 3.238 1.00 0.00 N ATOM 560 CA PRO A 36 3.340 12.170 2.997 1.00 0.00 C ATOM 561 C PRO A 36 4.653 11.508 3.400 1.00 0.00 C ATOM 562 O PRO A 36 5.732 11.972 3.031 1.00 0.00 O ATOM 563 CB PRO A 36 3.063 13.389 3.879 1.00 0.00 C ATOM 564 CG PRO A 36 2.180 12.878 4.965 1.00 0.00 C ATOM 565 CD PRO A 36 1.340 11.798 4.341 1.00 0.00 C ATOM 0 HA PRO A 36 3.456 12.409 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.987 13.804 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.576 14.184 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.768 12.485 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.555 13.675 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.108 11.007 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.389 12.188 3.977 1.00 0.00 H new ATOM 573 N ILE A 37 4.553 10.422 4.159 1.00 0.00 N ATOM 574 CA ILE A 37 5.733 9.696 4.612 1.00 0.00 C ATOM 575 C ILE A 37 6.140 8.625 3.604 1.00 0.00 C ATOM 576 O ILE A 37 7.251 8.097 3.658 1.00 0.00 O ATOM 577 CB ILE A 37 5.496 9.032 5.981 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.276 10.097 7.057 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.670 8.136 6.346 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.716 9.545 8.349 1.00 0.00 C ATOM 0 H ILE A 37 3.667 10.026 4.473 1.00 0.00 H new ATOM 0 HA ILE A 37 6.536 10.427 4.707 1.00 0.00 H new ATOM 0 HB ILE A 37 4.600 8.415 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.224 10.593 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.596 10.857 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.487 7.674 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.784 7.359 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.581 8.732 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.586 10.356 9.065 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.752 9.074 8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.405 8.807 8.758 1.00 0.00 H new ATOM 592 N ILE A 38 5.233 8.311 2.685 1.00 0.00 N ATOM 593 CA ILE A 38 5.498 7.306 1.664 1.00 0.00 C ATOM 594 C ILE A 38 5.578 7.938 0.278 1.00 0.00 C ATOM 595 O ILE A 38 6.360 7.507 -0.568 1.00 0.00 O ATOM 596 CB ILE A 38 4.413 6.213 1.654 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.456 5.410 2.956 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.595 5.296 0.454 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.584 4.174 2.933 1.00 0.00 C ATOM 0 H ILE A 38 4.309 8.738 2.627 1.00 0.00 H new ATOM 0 HA ILE A 38 6.458 6.852 1.911 1.00 0.00 H new ATOM 0 HB ILE A 38 3.437 6.692 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.486 5.115 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.142 6.051 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.821 4.529 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.520 5.879 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.575 4.822 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.664 3.654 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.547 4.463 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.912 3.512 2.131 1.00 0.00 H new ATOM 611 N GLY A 39 4.765 8.966 0.054 1.00 0.00 N ATOM 612 CA GLY A 39 4.761 9.642 -1.230 1.00 0.00 C ATOM 613 C GLY A 39 3.376 9.718 -1.841 1.00 0.00 C ATOM 614 O GLY A 39 3.053 10.673 -2.547 1.00 0.00 O ATOM 0 H GLY A 39 4.109 9.342 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.156 10.650 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.429 9.119 -1.915 1.00 0.00 H new ATOM 618 N ARG A 40 2.556 8.708 -1.571 1.00 0.00 N ATOM 619 CA ARG A 40 1.199 8.662 -2.102 1.00 0.00 C ATOM 620 C ARG A 40 0.217 9.330 -1.143 1.00 0.00 C ATOM 621 O ARG A 40 0.603 9.814 -0.078 1.00 0.00 O ATOM 622 CB ARG A 40 0.775 7.214 -2.355 1.00 0.00 C ATOM 623 CG ARG A 40 1.114 6.715 -3.750 1.00 0.00 C ATOM 624 CD ARG A 40 2.498 6.086 -3.795 1.00 0.00 C ATOM 625 NE ARG A 40 3.097 6.177 -5.124 1.00 0.00 N ATOM 626 CZ ARG A 40 3.740 7.252 -5.567 1.00 0.00 C ATOM 627 NH1 ARG A 40 3.866 8.320 -4.792 1.00 0.00 N ATOM 628 NH2 ARG A 40 4.259 7.259 -6.789 1.00 0.00 N ATOM 0 H ARG A 40 2.808 7.910 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 40 1.187 9.207 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.258 6.569 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.300 7.126 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.370 5.984 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.067 7.544 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.145 6.581 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.430 5.039 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 40 3.017 5.372 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.469 8.318 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.360 9.144 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.164 6.439 -7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.753 8.084 -7.129 1.00 0.00 H new ATOM 642 N THR A 41 -1.055 9.355 -1.529 1.00 0.00 N ATOM 643 CA THR A 41 -2.092 9.964 -0.706 1.00 0.00 C ATOM 644 C THR A 41 -2.603 8.988 0.348 1.00 0.00 C ATOM 645 O THR A 41 -2.309 7.794 0.296 1.00 0.00 O ATOM 646 CB THR A 41 -3.278 10.446 -1.562 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.862 9.338 -2.257 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.831 11.501 -2.562 1.00 0.00 C ATOM 0 H THR A 41 -1.392 8.960 -2.407 1.00 0.00 H new ATOM 0 HA THR A 41 -1.638 10.823 -0.211 1.00 0.00 H new ATOM 0 HB THR A 41 -4.020 10.890 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.617 9.652 -2.798 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.686 11.826 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.414 12.355 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.072 11.079 -3.221 1.00 0.00 H new ATOM 656 N ALA A 42 -3.369 9.504 1.303 1.00 0.00 N ATOM 657 CA ALA A 42 -3.923 8.676 2.368 1.00 0.00 C ATOM 658 C ALA A 42 -4.809 7.572 1.800 1.00 0.00 C ATOM 659 O ALA A 42 -4.727 6.419 2.222 1.00 0.00 O ATOM 660 CB ALA A 42 -4.709 9.534 3.348 1.00 0.00 C ATOM 0 H ALA A 42 -3.620 10.491 1.361 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.095 8.205 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.117 8.903 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.049 10.283 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.525 10.031 2.823 1.00 0.00 H new ATOM 666 N ALA A 43 -5.656 7.933 0.842 1.00 0.00 N ATOM 667 CA ALA A 43 -6.556 6.973 0.216 1.00 0.00 C ATOM 668 C ALA A 43 -5.779 5.929 -0.578 1.00 0.00 C ATOM 669 O ALA A 43 -6.111 4.744 -0.554 1.00 0.00 O ATOM 670 CB ALA A 43 -7.551 7.691 -0.684 1.00 0.00 C ATOM 0 H ALA A 43 -5.738 8.884 0.482 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.103 6.458 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.217 6.961 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.137 8.393 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.013 8.233 -1.462 1.00 0.00 H new ATOM 676 N GLN A 44 -4.743 6.377 -1.281 1.00 0.00 N ATOM 677 CA GLN A 44 -3.920 5.480 -2.084 1.00 0.00 C ATOM 678 C GLN A 44 -3.210 4.458 -1.202 1.00 0.00 C ATOM 679 O GLN A 44 -3.313 3.252 -1.428 1.00 0.00 O ATOM 680 CB GLN A 44 -2.893 6.279 -2.887 1.00 0.00 C ATOM 681 CG GLN A 44 -3.449 6.863 -4.176 1.00 0.00 C ATOM 682 CD GLN A 44 -2.377 7.100 -5.221 1.00 0.00 C ATOM 683 OE1 GLN A 44 -1.914 6.165 -5.875 1.00 0.00 O ATOM 684 NE2 GLN A 44 -1.974 8.355 -5.383 1.00 0.00 N ATOM 0 H GLN A 44 -4.454 7.355 -1.311 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.574 4.946 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.510 7.089 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.048 5.633 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.202 6.187 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.951 7.805 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.385 9.099 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.254 8.575 -6.071 1.00 0.00 H new ATOM 693 N CYS A 45 -2.490 4.948 -0.199 1.00 0.00 N ATOM 694 CA CYS A 45 -1.761 4.077 0.716 1.00 0.00 C ATOM 695 C CYS A 45 -2.683 3.012 1.303 1.00 0.00 C ATOM 696 O CYS A 45 -2.308 1.844 1.415 1.00 0.00 O ATOM 697 CB CYS A 45 -1.130 4.898 1.841 1.00 0.00 C ATOM 698 SG CYS A 45 0.197 5.999 1.295 1.00 0.00 S ATOM 0 H CYS A 45 -2.395 5.944 0.001 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.972 3.579 0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.906 5.493 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.736 4.218 2.596 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.316 7.041 0.711 1.00 0.00 H new ATOM 704 N LEU A 46 -3.889 3.423 1.677 1.00 0.00 N ATOM 705 CA LEU A 46 -4.865 2.505 2.255 1.00 0.00 C ATOM 706 C LEU A 46 -5.392 1.537 1.201 1.00 0.00 C ATOM 707 O LEU A 46 -5.486 0.334 1.442 1.00 0.00 O ATOM 708 CB LEU A 46 -6.026 3.286 2.872 1.00 0.00 C ATOM 709 CG LEU A 46 -7.289 2.481 3.178 1.00 0.00 C ATOM 710 CD1 LEU A 46 -7.004 1.421 4.232 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.412 3.402 3.635 1.00 0.00 C ATOM 0 H LEU A 46 -4.215 4.386 1.591 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.368 1.929 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.678 3.744 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.292 4.098 2.195 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.607 1.979 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.914 0.858 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.232 0.743 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.661 1.902 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.303 2.811 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.104 3.932 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.634 4.123 2.848 1.00 0.00 H new ATOM 723 N GLU A 47 -5.732 2.070 0.032 1.00 0.00 N ATOM 724 CA GLU A 47 -6.248 1.251 -1.059 1.00 0.00 C ATOM 725 C GLU A 47 -5.248 0.164 -1.443 1.00 0.00 C ATOM 726 O GLU A 47 -5.576 -1.023 -1.445 1.00 0.00 O ATOM 727 CB GLU A 47 -6.561 2.124 -2.277 1.00 0.00 C ATOM 728 CG GLU A 47 -7.600 1.520 -3.207 1.00 0.00 C ATOM 729 CD GLU A 47 -9.018 1.885 -2.813 1.00 0.00 C ATOM 730 OE1 GLU A 47 -9.472 2.987 -3.186 1.00 0.00 O ATOM 731 OE2 GLU A 47 -9.673 1.069 -2.133 1.00 0.00 O ATOM 0 H GLU A 47 -5.660 3.064 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.166 0.772 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.913 3.097 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.641 2.296 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.411 1.859 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.495 0.435 -3.207 1.00 0.00 H new ATOM 738 N HIS A 48 -4.027 0.578 -1.767 1.00 0.00 N ATOM 739 CA HIS A 48 -2.980 -0.361 -2.153 1.00 0.00 C ATOM 740 C HIS A 48 -2.703 -1.357 -1.031 1.00 0.00 C ATOM 741 O HIS A 48 -2.761 -2.570 -1.236 1.00 0.00 O ATOM 742 CB HIS A 48 -1.698 0.392 -2.510 1.00 0.00 C ATOM 743 CG HIS A 48 -0.677 -0.457 -3.202 1.00 0.00 C ATOM 744 ND1 HIS A 48 -0.865 -0.982 -4.464 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.548 -0.872 -2.803 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.200 -1.684 -4.809 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.072 -1.632 -3.819 1.00 0.00 N ATOM 0 H HIS A 48 -3.739 1.556 -1.770 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.325 -0.913 -3.028 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.950 1.237 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.261 0.801 -1.599 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.696 -0.849 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.025 -0.647 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.334 -2.211 -5.742 1.00 0.00 H new ATOM 756 N TYR A 49 -2.401 -0.838 0.153 1.00 0.00 N ATOM 757 CA TYR A 49 -2.112 -1.682 1.307 1.00 0.00 C ATOM 758 C TYR A 49 -3.108 -2.834 1.402 1.00 0.00 C ATOM 759 O TYR A 49 -2.749 -3.996 1.216 1.00 0.00 O ATOM 760 CB TYR A 49 -2.148 -0.854 2.593 1.00 0.00 C ATOM 761 CG TYR A 49 -2.126 -1.691 3.852 1.00 0.00 C ATOM 762 CD1 TYR A 49 -1.055 -2.529 4.134 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.178 -1.644 4.759 1.00 0.00 C ATOM 764 CE1 TYR A 49 -1.031 -3.296 5.283 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.162 -2.406 5.911 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.086 -3.230 6.169 1.00 0.00 C ATOM 767 OH TYR A 49 -2.067 -3.992 7.315 1.00 0.00 O ATOM 0 H TYR A 49 -2.350 0.163 0.340 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.113 -2.099 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.295 -0.176 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.046 -0.236 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.227 -2.582 3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.022 -1.001 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.191 -3.944 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.987 -2.357 6.606 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.884 -3.828 7.831 1.00 0.00 H new ATOM 777 N GLU A 50 -4.362 -2.501 1.693 1.00 0.00 N ATOM 778 CA GLU A 50 -5.410 -3.507 1.813 1.00 0.00 C ATOM 779 C GLU A 50 -5.321 -4.524 0.679 1.00 0.00 C ATOM 780 O GLU A 50 -5.356 -5.733 0.910 1.00 0.00 O ATOM 781 CB GLU A 50 -6.789 -2.842 1.810 1.00 0.00 C ATOM 782 CG GLU A 50 -7.024 -1.924 2.997 1.00 0.00 C ATOM 783 CD GLU A 50 -8.430 -1.358 3.027 1.00 0.00 C ATOM 784 OE1 GLU A 50 -8.831 -0.713 2.036 1.00 0.00 O ATOM 785 OE2 GLU A 50 -9.130 -1.560 4.041 1.00 0.00 O ATOM 0 H GLU A 50 -4.676 -1.543 1.850 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.269 -4.030 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.905 -2.269 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.556 -3.616 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.838 -2.474 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.307 -1.104 2.965 1.00 0.00 H new ATOM 792 N PHE A 51 -5.207 -4.025 -0.548 1.00 0.00 N ATOM 793 CA PHE A 51 -5.115 -4.888 -1.719 1.00 0.00 C ATOM 794 C PHE A 51 -3.983 -5.899 -1.562 1.00 0.00 C ATOM 795 O PHE A 51 -4.095 -7.047 -1.994 1.00 0.00 O ATOM 796 CB PHE A 51 -4.895 -4.051 -2.980 1.00 0.00 C ATOM 797 CG PHE A 51 -4.449 -4.858 -4.166 1.00 0.00 C ATOM 798 CD1 PHE A 51 -5.373 -5.532 -4.949 1.00 0.00 C ATOM 799 CD2 PHE A 51 -3.107 -4.945 -4.497 1.00 0.00 C ATOM 800 CE1 PHE A 51 -4.967 -6.275 -6.041 1.00 0.00 C ATOM 801 CE2 PHE A 51 -2.694 -5.687 -5.588 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.625 -6.354 -6.360 1.00 0.00 C ATOM 0 H PHE A 51 -5.176 -3.027 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.055 -5.433 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.822 -3.535 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.149 -3.284 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.423 -5.476 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.374 -4.427 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.698 -6.793 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.645 -5.745 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.305 -6.936 -7.211 1.00 0.00 H new ATOM 812 N LEU A 52 -2.892 -5.464 -0.940 1.00 0.00 N ATOM 813 CA LEU A 52 -1.737 -6.330 -0.725 1.00 0.00 C ATOM 814 C LEU A 52 -2.102 -7.512 0.167 1.00 0.00 C ATOM 815 O LEU A 52 -1.738 -8.654 -0.118 1.00 0.00 O ATOM 816 CB LEU A 52 -0.590 -5.536 -0.097 1.00 0.00 C ATOM 817 CG LEU A 52 -0.084 -4.338 -0.900 1.00 0.00 C ATOM 818 CD1 LEU A 52 0.716 -3.399 -0.011 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.757 -4.804 -2.080 1.00 0.00 C ATOM 0 H LEU A 52 -2.783 -4.517 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.416 -6.715 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.913 -5.181 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.246 -6.215 0.070 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.946 -3.793 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.068 -2.552 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.083 -3.039 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.571 -3.932 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.109 -3.938 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.613 -5.372 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.153 -5.436 -2.731 1.00 0.00 H new ATOM 831 N LEU A 53 -2.823 -7.232 1.246 1.00 0.00 N ATOM 832 CA LEU A 53 -3.240 -8.272 2.180 1.00 0.00 C ATOM 833 C LEU A 53 -3.963 -9.400 1.451 1.00 0.00 C ATOM 834 O LEU A 53 -3.607 -10.571 1.588 1.00 0.00 O ATOM 835 CB LEU A 53 -4.148 -7.683 3.260 1.00 0.00 C ATOM 836 CG LEU A 53 -3.458 -6.829 4.325 1.00 0.00 C ATOM 837 CD1 LEU A 53 -2.475 -7.668 5.127 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.750 -5.645 3.683 1.00 0.00 C ATOM 0 H LEU A 53 -3.132 -6.293 1.496 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.346 -8.682 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.911 -7.075 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.665 -8.503 3.759 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.219 -6.447 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.994 -7.044 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.008 -8.483 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.718 -8.080 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.265 -5.049 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.000 -6.007 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.477 -5.030 3.153 1.00 0.00 H new ATOM 850 N ASP A 54 -4.979 -9.039 0.674 1.00 0.00 N ATOM 851 CA ASP A 54 -5.751 -10.020 -0.080 1.00 0.00 C ATOM 852 C ASP A 54 -4.926 -10.597 -1.225 1.00 0.00 C ATOM 853 O ASP A 54 -4.997 -11.791 -1.517 1.00 0.00 O ATOM 854 CB ASP A 54 -7.030 -9.383 -0.626 1.00 0.00 C ATOM 855 CG ASP A 54 -8.132 -10.400 -0.853 1.00 0.00 C ATOM 856 OD1 ASP A 54 -8.883 -10.683 0.103 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.242 -10.913 -1.986 1.00 0.00 O ATOM 0 H ASP A 54 -5.287 -8.074 0.550 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.019 -10.832 0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.380 -8.622 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.808 -8.876 -1.565 1.00 0.00 H new ATOM 862 N LYS A 55 -4.142 -9.742 -1.873 1.00 0.00 N ATOM 863 CA LYS A 55 -3.302 -10.165 -2.987 1.00 0.00 C ATOM 864 C LYS A 55 -2.365 -11.292 -2.564 1.00 0.00 C ATOM 865 O LYS A 55 -2.217 -12.287 -3.272 1.00 0.00 O ATOM 866 CB LYS A 55 -2.489 -8.982 -3.517 1.00 0.00 C ATOM 867 CG LYS A 55 -1.445 -9.375 -4.549 1.00 0.00 C ATOM 868 CD LYS A 55 -0.308 -8.370 -4.602 1.00 0.00 C ATOM 869 CE LYS A 55 0.766 -8.795 -5.593 1.00 0.00 C ATOM 870 NZ LYS A 55 2.007 -7.985 -5.446 1.00 0.00 N ATOM 0 H LYS A 55 -4.071 -8.750 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.952 -10.535 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.169 -8.254 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.994 -8.489 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.049 -10.362 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.912 -9.449 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.698 -7.392 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.132 -8.264 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.000 -9.849 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.384 -8.693 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.714 -8.305 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.789 -6.982 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.386 -8.102 -4.485 1.00 0.00 H new ATOM 884 N ALA A 56 -1.734 -11.127 -1.406 1.00 0.00 N ATOM 885 CA ALA A 56 -0.814 -12.132 -0.887 1.00 0.00 C ATOM 886 C ALA A 56 -1.466 -13.510 -0.859 1.00 0.00 C ATOM 887 O ALA A 56 -0.838 -14.511 -1.205 1.00 0.00 O ATOM 888 CB ALA A 56 -0.337 -11.743 0.504 1.00 0.00 C ATOM 0 H ALA A 56 -1.843 -10.307 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 56 0.047 -12.180 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.349 -12.502 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.175 -10.782 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.193 -11.665 1.174 1.00 0.00 H new ATOM 894 N ALA A 57 -2.727 -13.555 -0.444 1.00 0.00 N ATOM 895 CA ALA A 57 -3.464 -14.811 -0.372 1.00 0.00 C ATOM 896 C ALA A 57 -3.480 -15.516 -1.724 1.00 0.00 C ATOM 897 O ALA A 57 -3.216 -16.715 -1.812 1.00 0.00 O ATOM 898 CB ALA A 57 -4.884 -14.563 0.112 1.00 0.00 C ATOM 0 H ALA A 57 -3.260 -12.736 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.957 -15.460 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.422 -15.510 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.857 -14.110 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.392 -13.892 -0.580 1.00 0.00 H new ATOM 904 N GLN A 58 -3.792 -14.764 -2.775 1.00 0.00 N ATOM 905 CA GLN A 58 -3.844 -15.319 -4.123 1.00 0.00 C ATOM 906 C GLN A 58 -2.514 -15.965 -4.497 1.00 0.00 C ATOM 907 O GLN A 58 -2.480 -17.073 -5.033 1.00 0.00 O ATOM 908 CB GLN A 58 -4.195 -14.226 -5.134 1.00 0.00 C ATOM 909 CG GLN A 58 -5.671 -13.863 -5.148 1.00 0.00 C ATOM 910 CD GLN A 58 -5.997 -12.785 -6.163 1.00 0.00 C ATOM 911 OE1 GLN A 58 -6.375 -13.078 -7.298 1.00 0.00 O ATOM 912 NE2 GLN A 58 -5.852 -11.528 -5.759 1.00 0.00 N ATOM 0 H GLN A 58 -4.012 -13.770 -2.719 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.618 -16.086 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.612 -13.333 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.901 -14.556 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.258 -14.754 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.967 -13.524 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.536 -11.331 -4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.056 -10.760 -6.398 1.00 0.00 H new ATOM 921 N ARG A 59 -1.421 -15.266 -4.210 1.00 0.00 N ATOM 922 CA ARG A 59 -0.088 -15.772 -4.518 1.00 0.00 C ATOM 923 C ARG A 59 -0.031 -17.288 -4.356 1.00 0.00 C ATOM 924 O ARG A 59 -0.227 -17.813 -3.259 1.00 0.00 O ATOM 925 CB ARG A 59 0.953 -15.112 -3.612 1.00 0.00 C ATOM 926 CG ARG A 59 2.383 -15.515 -3.933 1.00 0.00 C ATOM 927 CD ARG A 59 3.384 -14.724 -3.104 1.00 0.00 C ATOM 928 NE ARG A 59 3.395 -13.309 -3.464 1.00 0.00 N ATOM 929 CZ ARG A 59 3.807 -12.346 -2.647 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.239 -12.645 -1.429 1.00 0.00 N ATOM 931 NH2 ARG A 59 3.788 -11.081 -3.047 1.00 0.00 N ATOM 0 H ARG A 59 -1.432 -14.348 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 59 0.136 -15.526 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.862 -14.029 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.736 -15.370 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.513 -16.580 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.579 -15.354 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.141 -14.827 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.381 -15.142 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 59 3.068 -13.046 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.255 -13.616 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.555 -11.904 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.457 -10.847 -3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.105 -10.343 -2.419 1.00 0.00 H new ATOM 945 N ASP A 60 0.238 -17.985 -5.454 1.00 0.00 N ATOM 946 CA ASP A 60 0.322 -19.441 -5.434 1.00 0.00 C ATOM 947 C ASP A 60 1.776 -19.901 -5.390 1.00 0.00 C ATOM 948 O ASP A 60 2.407 -20.098 -6.429 1.00 0.00 O ATOM 949 CB ASP A 60 -0.376 -20.030 -6.661 1.00 0.00 C ATOM 950 CG ASP A 60 -0.082 -19.247 -7.926 1.00 0.00 C ATOM 951 OD1 ASP A 60 1.067 -18.782 -8.083 1.00 0.00 O ATOM 952 OD2 ASP A 60 -1.001 -19.099 -8.758 1.00 0.00 O ATOM 0 H ASP A 60 0.402 -17.566 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.180 -19.797 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.058 -21.064 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.452 -20.047 -6.490 1.00 0.00 H new ATOM 957 N SER A 61 2.301 -20.070 -4.181 1.00 0.00 N ATOM 958 CA SER A 61 3.682 -20.503 -4.001 1.00 0.00 C ATOM 959 C SER A 61 3.739 -21.905 -3.403 1.00 0.00 C ATOM 960 O SER A 61 4.507 -22.754 -3.855 1.00 0.00 O ATOM 961 CB SER A 61 4.433 -19.521 -3.100 1.00 0.00 C ATOM 962 OG SER A 61 3.760 -19.344 -1.866 1.00 0.00 O ATOM 0 H SER A 61 1.791 -19.914 -3.311 1.00 0.00 H new ATOM 0 HA SER A 61 4.160 -20.525 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.443 -19.889 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.531 -18.560 -3.606 1.00 0.00 H new ATOM 0 HG SER A 61 4.261 -18.713 -1.308 1.00 0.00 H new ATOM 968 N GLY A 62 2.920 -22.140 -2.382 1.00 0.00 N ATOM 969 CA GLY A 62 2.892 -23.440 -1.738 1.00 0.00 C ATOM 970 C GLY A 62 1.881 -24.378 -2.367 1.00 0.00 C ATOM 971 O GLY A 62 1.456 -24.191 -3.508 1.00 0.00 O ATOM 0 H GLY A 62 2.276 -21.453 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.883 -23.890 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.657 -23.313 -0.681 1.00 0.00 H new ATOM 975 N PRO A 63 1.482 -25.415 -1.616 1.00 0.00 N ATOM 976 CA PRO A 63 0.511 -26.406 -2.088 1.00 0.00 C ATOM 977 C PRO A 63 -0.895 -25.828 -2.211 1.00 0.00 C ATOM 978 O PRO A 63 -1.249 -24.879 -1.512 1.00 0.00 O ATOM 979 CB PRO A 63 0.552 -27.486 -1.004 1.00 0.00 C ATOM 980 CG PRO A 63 1.009 -26.775 0.223 1.00 0.00 C ATOM 981 CD PRO A 63 1.948 -25.698 -0.248 1.00 0.00 C ATOM 0 HA PRO A 63 0.755 -26.773 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.429 -27.937 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.236 -28.291 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.165 -26.348 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.512 -27.459 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.895 -24.813 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.984 -26.036 -0.238 1.00 0.00 H new ATOM 989 N SER A 64 -1.692 -26.407 -3.103 1.00 0.00 N ATOM 990 CA SER A 64 -3.058 -25.947 -3.320 1.00 0.00 C ATOM 991 C SER A 64 -3.851 -25.967 -2.017 1.00 0.00 C ATOM 992 O SER A 64 -4.301 -27.021 -1.568 1.00 0.00 O ATOM 993 CB SER A 64 -3.753 -26.820 -4.367 1.00 0.00 C ATOM 994 OG SER A 64 -5.082 -26.384 -4.594 1.00 0.00 O ATOM 0 H SER A 64 -1.415 -27.196 -3.687 1.00 0.00 H new ATOM 0 HA SER A 64 -3.016 -24.920 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.192 -26.789 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.759 -27.858 -4.033 1.00 0.00 H new ATOM 0 HG SER A 64 -5.504 -26.957 -5.268 1.00 0.00 H new ATOM 1000 N SER A 65 -4.019 -24.794 -1.415 1.00 0.00 N ATOM 1001 CA SER A 65 -4.754 -24.676 -0.161 1.00 0.00 C ATOM 1002 C SER A 65 -5.506 -23.350 -0.095 1.00 0.00 C ATOM 1003 O SER A 65 -5.411 -22.524 -1.001 1.00 0.00 O ATOM 1004 CB SER A 65 -3.798 -24.793 1.028 1.00 0.00 C ATOM 1005 OG SER A 65 -3.410 -26.139 1.239 1.00 0.00 O ATOM 0 H SER A 65 -3.656 -23.912 -1.775 1.00 0.00 H new ATOM 0 HA SER A 65 -5.480 -25.488 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.914 -24.180 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.280 -24.405 1.926 1.00 0.00 H new ATOM 0 HG SER A 65 -3.733 -26.693 0.498 1.00 0.00 H new ATOM 1011 N GLY A 66 -6.256 -23.156 0.986 1.00 0.00 N ATOM 1012 CA GLY A 66 -7.014 -21.929 1.152 1.00 0.00 C ATOM 1013 C GLY A 66 -6.128 -20.700 1.190 1.00 0.00 C ATOM 1014 O GLY A 66 -6.566 -19.623 1.592 1.00 0.00 O ATOM 0 H GLY A 66 -6.352 -23.826 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.728 -21.833 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.592 -21.985 2.074 1.00 0.00 H new TER 1018 GLY A 66