USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=20 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 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 30 GLN : amide:sc= -2.81! K(o=-2.8!,f=-2.2) USER MOD Set 1.3: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0519 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.148 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+ -147:sc= -0.75 (180deg=-2.32!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -152:sc= 0.0084 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 162:sc= 0 (180deg=-0.0492) USER MOD Single : A 41 THR OG1 : rot -100:sc= -0.758 USER MOD Single : A 44 GLN : amide:sc= -0.138 K(o=-0.14,f=-3.3!) USER MOD Single : A 45 CYS SG : rot 72:sc= 0.361 USER MOD Single : A 48 HIS : no HE2:sc= -13.3! C(o=-13!,f=-12!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0.107 (180deg=0.0669) USER MOD Single : A 58 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.5!) USER MOD Single : A 61 SER OG : rot -55:sc= 0.0357 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.270 -3.282 -22.186 1.00 0.00 N ATOM 2 CA GLY A 1 1.067 -2.751 -23.521 1.00 0.00 C ATOM 3 C GLY A 1 1.210 -1.242 -23.572 1.00 0.00 C ATOM 4 O GLY A 1 1.818 -0.639 -22.688 1.00 0.00 O ATOM 0 H1 GLY A 1 1.770 -4.192 -22.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.837 -2.612 -21.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.349 -3.423 -21.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.787 -3.204 -24.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.074 -3.031 -23.873 1.00 0.00 H new ATOM 8 N SER A 2 0.648 -0.631 -24.611 1.00 0.00 N ATOM 9 CA SER A 2 0.720 0.816 -24.777 1.00 0.00 C ATOM 10 C SER A 2 -0.659 1.449 -24.621 1.00 0.00 C ATOM 11 O SER A 2 -0.829 2.418 -23.881 1.00 0.00 O ATOM 12 CB SER A 2 1.303 1.165 -26.147 1.00 0.00 C ATOM 13 OG SER A 2 0.449 0.727 -27.191 1.00 0.00 O ATOM 0 H SER A 2 0.138 -1.116 -25.350 1.00 0.00 H new ATOM 0 HA SER A 2 1.373 1.215 -24.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.449 2.243 -26.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.284 0.703 -26.257 1.00 0.00 H new ATOM 0 HG SER A 2 0.843 0.963 -28.057 1.00 0.00 H new ATOM 19 N SER A 3 -1.641 0.895 -25.324 1.00 0.00 N ATOM 20 CA SER A 3 -3.005 1.407 -25.269 1.00 0.00 C ATOM 21 C SER A 3 -3.694 0.976 -23.977 1.00 0.00 C ATOM 22 O SER A 3 -3.753 -0.210 -23.657 1.00 0.00 O ATOM 23 CB SER A 3 -3.806 0.916 -26.476 1.00 0.00 C ATOM 24 OG SER A 3 -3.398 1.576 -27.661 1.00 0.00 O ATOM 0 H SER A 3 -1.517 0.091 -25.939 1.00 0.00 H new ATOM 0 HA SER A 3 -2.960 2.496 -25.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.674 -0.160 -26.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.869 1.090 -26.306 1.00 0.00 H new ATOM 0 HG SER A 3 -3.924 1.243 -28.418 1.00 0.00 H new ATOM 30 N GLY A 4 -4.215 1.952 -23.239 1.00 0.00 N ATOM 31 CA GLY A 4 -4.894 1.655 -21.990 1.00 0.00 C ATOM 32 C GLY A 4 -5.998 2.646 -21.681 1.00 0.00 C ATOM 33 O GLY A 4 -7.176 2.289 -21.668 1.00 0.00 O ATOM 0 H GLY A 4 -4.179 2.942 -23.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.315 0.651 -22.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.169 1.658 -21.176 1.00 0.00 H new ATOM 37 N SER A 5 -5.618 3.895 -21.431 1.00 0.00 N ATOM 38 CA SER A 5 -6.585 4.939 -21.114 1.00 0.00 C ATOM 39 C SER A 5 -5.912 6.309 -21.077 1.00 0.00 C ATOM 40 O SER A 5 -4.738 6.427 -20.727 1.00 0.00 O ATOM 41 CB SER A 5 -7.256 4.652 -19.770 1.00 0.00 C ATOM 42 OG SER A 5 -6.350 4.840 -18.697 1.00 0.00 O ATOM 0 H SER A 5 -4.647 4.208 -21.442 1.00 0.00 H new ATOM 0 HA SER A 5 -7.344 4.946 -21.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.117 5.308 -19.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.631 3.629 -19.758 1.00 0.00 H new ATOM 0 HG SER A 5 -6.804 4.652 -17.849 1.00 0.00 H new ATOM 48 N SER A 6 -6.666 7.341 -21.442 1.00 0.00 N ATOM 49 CA SER A 6 -6.143 8.702 -21.455 1.00 0.00 C ATOM 50 C SER A 6 -6.062 9.266 -20.040 1.00 0.00 C ATOM 51 O SER A 6 -7.031 9.821 -19.524 1.00 0.00 O ATOM 52 CB SER A 6 -7.024 9.601 -22.324 1.00 0.00 C ATOM 53 OG SER A 6 -6.285 10.695 -22.840 1.00 0.00 O ATOM 0 H SER A 6 -7.640 7.261 -21.732 1.00 0.00 H new ATOM 0 HA SER A 6 -5.138 8.675 -21.875 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.442 9.020 -23.146 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.864 9.971 -21.736 1.00 0.00 H new ATOM 0 HG SER A 6 -6.870 11.253 -23.393 1.00 0.00 H new ATOM 59 N GLY A 7 -4.896 9.119 -19.417 1.00 0.00 N ATOM 60 CA GLY A 7 -4.708 9.618 -18.067 1.00 0.00 C ATOM 61 C GLY A 7 -3.563 8.931 -17.349 1.00 0.00 C ATOM 62 O GLY A 7 -3.552 7.708 -17.211 1.00 0.00 O ATOM 0 H GLY A 7 -4.079 8.663 -19.823 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.519 10.691 -18.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.627 9.475 -17.499 1.00 0.00 H new ATOM 66 N LYS A 8 -2.596 9.719 -16.891 1.00 0.00 N ATOM 67 CA LYS A 8 -1.441 9.180 -16.184 1.00 0.00 C ATOM 68 C LYS A 8 -1.876 8.212 -15.089 1.00 0.00 C ATOM 69 O LYS A 8 -2.788 8.504 -14.314 1.00 0.00 O ATOM 70 CB LYS A 8 -0.614 10.316 -15.577 1.00 0.00 C ATOM 71 CG LYS A 8 -1.290 10.999 -14.401 1.00 0.00 C ATOM 72 CD LYS A 8 -0.923 10.336 -13.084 1.00 0.00 C ATOM 73 CE LYS A 8 0.447 10.783 -12.598 1.00 0.00 C ATOM 74 NZ LYS A 8 1.534 9.918 -13.133 1.00 0.00 N ATOM 0 H LYS A 8 -2.590 10.733 -16.997 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.828 8.636 -16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.348 9.920 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.410 11.058 -16.349 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.000 12.049 -14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.371 10.970 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.674 10.578 -12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.931 9.253 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.621 11.815 -12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.470 10.763 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.299 9.848 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.157 8.969 -13.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.907 10.332 -14.011 1.00 0.00 H new ATOM 88 N LYS A 9 -1.218 7.059 -15.028 1.00 0.00 N ATOM 89 CA LYS A 9 -1.534 6.049 -14.026 1.00 0.00 C ATOM 90 C LYS A 9 -0.530 6.088 -12.878 1.00 0.00 C ATOM 91 O LYS A 9 0.456 6.824 -12.926 1.00 0.00 O ATOM 92 CB LYS A 9 -1.545 4.657 -14.661 1.00 0.00 C ATOM 93 CG LYS A 9 -0.171 4.174 -15.092 1.00 0.00 C ATOM 94 CD LYS A 9 -0.135 2.663 -15.250 1.00 0.00 C ATOM 95 CE LYS A 9 0.924 2.233 -16.254 1.00 0.00 C ATOM 96 NZ LYS A 9 0.431 2.329 -17.656 1.00 0.00 N ATOM 0 H LYS A 9 -0.462 6.801 -15.662 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.524 6.267 -13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.964 3.946 -13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.206 4.668 -15.528 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.102 4.646 -16.036 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.571 4.481 -14.355 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.068 2.200 -14.284 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.112 2.307 -15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.810 2.857 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.227 1.207 -16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.182 2.027 -18.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.399 1.714 -17.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.166 3.313 -17.864 1.00 0.00 H new ATOM 110 N THR A 10 -0.786 5.289 -11.846 1.00 0.00 N ATOM 111 CA THR A 10 0.095 5.232 -10.687 1.00 0.00 C ATOM 112 C THR A 10 0.225 3.806 -10.165 1.00 0.00 C ATOM 113 O THR A 10 -0.730 3.241 -9.631 1.00 0.00 O ATOM 114 CB THR A 10 -0.413 6.138 -9.550 1.00 0.00 C ATOM 115 OG1 THR A 10 -0.565 7.481 -10.025 1.00 0.00 O ATOM 116 CG2 THR A 10 0.548 6.117 -8.371 1.00 0.00 C ATOM 0 H THR A 10 -1.597 4.673 -11.790 1.00 0.00 H new ATOM 0 HA THR A 10 1.072 5.587 -11.015 1.00 0.00 H new ATOM 0 HB THR A 10 -1.379 5.759 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.890 8.051 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.168 6.764 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.639 5.098 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.527 6.473 -8.693 1.00 0.00 H new ATOM 124 N GLU A 11 1.412 3.229 -10.321 1.00 0.00 N ATOM 125 CA GLU A 11 1.666 1.867 -9.865 1.00 0.00 C ATOM 126 C GLU A 11 2.662 1.857 -8.709 1.00 0.00 C ATOM 127 O GLU A 11 3.552 2.704 -8.636 1.00 0.00 O ATOM 128 CB GLU A 11 2.195 1.010 -11.016 1.00 0.00 C ATOM 129 CG GLU A 11 1.101 0.433 -11.899 1.00 0.00 C ATOM 130 CD GLU A 11 1.595 -0.703 -12.773 1.00 0.00 C ATOM 131 OE1 GLU A 11 1.818 -1.809 -12.239 1.00 0.00 O ATOM 132 OE2 GLU A 11 1.758 -0.486 -13.992 1.00 0.00 O ATOM 0 H GLU A 11 2.213 3.683 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 11 0.723 1.448 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.864 1.613 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.788 0.193 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.284 0.075 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.695 1.223 -12.531 1.00 0.00 H new ATOM 139 N TRP A 12 2.504 0.894 -7.808 1.00 0.00 N ATOM 140 CA TRP A 12 3.389 0.774 -6.655 1.00 0.00 C ATOM 141 C TRP A 12 4.549 -0.169 -6.955 1.00 0.00 C ATOM 142 O TRP A 12 4.428 -1.073 -7.782 1.00 0.00 O ATOM 143 CB TRP A 12 2.609 0.272 -5.438 1.00 0.00 C ATOM 144 CG TRP A 12 1.634 1.277 -4.902 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.575 1.826 -5.566 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.631 1.852 -3.591 1.00 0.00 C ATOM 147 NE1 TRP A 12 -0.087 2.709 -4.747 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.540 2.742 -3.530 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.441 1.702 -2.463 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.243 3.477 -2.385 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.145 2.432 -1.328 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.053 3.310 -1.295 1.00 0.00 C ATOM 0 H TRP A 12 1.772 0.185 -7.853 1.00 0.00 H new ATOM 0 HA TRP A 12 3.795 1.761 -6.436 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.071 -0.636 -5.709 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.312 0.003 -4.650 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.298 1.600 -6.585 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.912 3.252 -5.004 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.284 1.027 -2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.597 4.155 -2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.766 2.324 -0.451 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.847 3.865 -0.392 1.00 0.00 H new ATOM 163 N SER A 13 5.672 0.047 -6.278 1.00 0.00 N ATOM 164 CA SER A 13 6.855 -0.782 -6.475 1.00 0.00 C ATOM 165 C SER A 13 7.156 -1.604 -5.226 1.00 0.00 C ATOM 166 O SER A 13 6.560 -1.391 -4.170 1.00 0.00 O ATOM 167 CB SER A 13 8.061 0.090 -6.829 1.00 0.00 C ATOM 168 OG SER A 13 9.002 -0.631 -7.606 1.00 0.00 O ATOM 0 H SER A 13 5.787 0.789 -5.588 1.00 0.00 H new ATOM 0 HA SER A 13 6.656 -1.466 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.728 0.970 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.536 0.447 -5.915 1.00 0.00 H new ATOM 0 HG SER A 13 9.762 -0.051 -7.820 1.00 0.00 H new ATOM 174 N ARG A 14 8.087 -2.544 -5.354 1.00 0.00 N ATOM 175 CA ARG A 14 8.467 -3.400 -4.237 1.00 0.00 C ATOM 176 C ARG A 14 8.786 -2.568 -2.998 1.00 0.00 C ATOM 177 O ARG A 14 8.427 -2.939 -1.881 1.00 0.00 O ATOM 178 CB ARG A 14 9.677 -4.258 -4.613 1.00 0.00 C ATOM 179 CG ARG A 14 10.163 -5.153 -3.485 1.00 0.00 C ATOM 180 CD ARG A 14 9.203 -6.306 -3.236 1.00 0.00 C ATOM 181 NE ARG A 14 8.019 -5.882 -2.494 1.00 0.00 N ATOM 182 CZ ARG A 14 6.900 -6.594 -2.425 1.00 0.00 C ATOM 183 NH1 ARG A 14 6.814 -7.761 -3.050 1.00 0.00 N ATOM 184 NH2 ARG A 14 5.865 -6.141 -1.730 1.00 0.00 N ATOM 0 H ARG A 14 8.592 -2.732 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 14 7.624 -4.052 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.419 -4.878 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.492 -3.605 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.150 -5.546 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.272 -4.565 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.898 -6.736 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.716 -7.092 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 14 8.053 -4.990 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.608 -8.113 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.954 -8.306 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.928 -5.245 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.006 -6.689 -1.678 1.00 0.00 H new ATOM 198 N GLU A 15 9.463 -1.443 -3.206 1.00 0.00 N ATOM 199 CA GLU A 15 9.831 -0.560 -2.105 1.00 0.00 C ATOM 200 C GLU A 15 8.594 0.093 -1.495 1.00 0.00 C ATOM 201 O GLU A 15 8.340 -0.035 -0.298 1.00 0.00 O ATOM 202 CB GLU A 15 10.803 0.518 -2.590 1.00 0.00 C ATOM 203 CG GLU A 15 12.230 0.022 -2.751 1.00 0.00 C ATOM 204 CD GLU A 15 13.020 0.091 -1.458 1.00 0.00 C ATOM 205 OE1 GLU A 15 12.862 1.085 -0.719 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.796 -0.849 -1.186 1.00 0.00 O ATOM 0 H GLU A 15 9.767 -1.122 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 15 10.319 -1.161 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.453 0.908 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.793 1.348 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.215 -1.007 -3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.734 0.617 -3.513 1.00 0.00 H new ATOM 213 N GLU A 16 7.829 0.793 -2.328 1.00 0.00 N ATOM 214 CA GLU A 16 6.620 1.467 -1.869 1.00 0.00 C ATOM 215 C GLU A 16 5.756 0.526 -1.035 1.00 0.00 C ATOM 216 O GLU A 16 5.121 0.945 -0.068 1.00 0.00 O ATOM 217 CB GLU A 16 5.818 1.990 -3.063 1.00 0.00 C ATOM 218 CG GLU A 16 6.475 3.162 -3.771 1.00 0.00 C ATOM 219 CD GLU A 16 7.464 2.722 -4.833 1.00 0.00 C ATOM 220 OE1 GLU A 16 7.041 2.520 -5.991 1.00 0.00 O ATOM 221 OE2 GLU A 16 8.661 2.579 -4.506 1.00 0.00 O ATOM 0 H GLU A 16 8.025 0.908 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 16 6.918 2.308 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.675 1.179 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.828 2.292 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.705 3.782 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.988 3.784 -3.037 1.00 0.00 H new ATOM 228 N GLU A 17 5.738 -0.747 -1.417 1.00 0.00 N ATOM 229 CA GLU A 17 4.951 -1.747 -0.705 1.00 0.00 C ATOM 230 C GLU A 17 5.553 -2.038 0.667 1.00 0.00 C ATOM 231 O GLU A 17 4.945 -1.749 1.697 1.00 0.00 O ATOM 232 CB GLU A 17 4.866 -3.038 -1.521 1.00 0.00 C ATOM 233 CG GLU A 17 4.108 -2.883 -2.829 1.00 0.00 C ATOM 234 CD GLU A 17 4.259 -4.088 -3.737 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.273 -4.160 -4.463 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.364 -4.958 -3.723 1.00 0.00 O ATOM 0 H GLU A 17 6.259 -1.110 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 17 3.946 -1.348 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.875 -3.389 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.382 -3.807 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.051 -2.724 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.466 -1.994 -3.349 1.00 0.00 H new ATOM 243 N GLU A 18 6.753 -2.612 0.670 1.00 0.00 N ATOM 244 CA GLU A 18 7.437 -2.943 1.914 1.00 0.00 C ATOM 245 C GLU A 18 7.218 -1.855 2.962 1.00 0.00 C ATOM 246 O GLU A 18 6.749 -2.126 4.067 1.00 0.00 O ATOM 247 CB GLU A 18 8.934 -3.133 1.664 1.00 0.00 C ATOM 248 CG GLU A 18 9.264 -4.377 0.857 1.00 0.00 C ATOM 249 CD GLU A 18 9.487 -5.596 1.730 1.00 0.00 C ATOM 250 OE1 GLU A 18 8.799 -5.718 2.765 1.00 0.00 O ATOM 251 OE2 GLU A 18 10.349 -6.429 1.379 1.00 0.00 O ATOM 0 H GLU A 18 7.270 -2.857 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 18 7.018 -3.876 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.320 -2.258 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.450 -3.185 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.452 -4.579 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.158 -4.193 0.261 1.00 0.00 H new ATOM 258 N LYS A 19 7.563 -0.622 2.606 1.00 0.00 N ATOM 259 CA LYS A 19 7.405 0.508 3.513 1.00 0.00 C ATOM 260 C LYS A 19 5.946 0.678 3.922 1.00 0.00 C ATOM 261 O LYS A 19 5.648 1.063 5.054 1.00 0.00 O ATOM 262 CB LYS A 19 7.913 1.793 2.853 1.00 0.00 C ATOM 263 CG LYS A 19 6.844 2.540 2.075 1.00 0.00 C ATOM 264 CD LYS A 19 7.445 3.341 0.932 1.00 0.00 C ATOM 265 CE LYS A 19 8.199 4.560 1.441 1.00 0.00 C ATOM 266 NZ LYS A 19 8.760 5.371 0.325 1.00 0.00 N ATOM 0 H LYS A 19 7.954 -0.380 1.695 1.00 0.00 H new ATOM 0 HA LYS A 19 7.994 0.308 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.318 2.451 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.734 1.546 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.117 1.830 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.305 3.209 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.121 2.707 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.653 3.659 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.529 5.178 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.007 4.239 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.611 5.872 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.010 4.745 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.051 6.063 0.009 1.00 0.00 H new ATOM 280 N LEU A 20 5.039 0.387 2.996 1.00 0.00 N ATOM 281 CA LEU A 20 3.609 0.505 3.262 1.00 0.00 C ATOM 282 C LEU A 20 3.178 -0.456 4.365 1.00 0.00 C ATOM 283 O LEU A 20 2.594 -0.045 5.368 1.00 0.00 O ATOM 284 CB LEU A 20 2.809 0.229 1.987 1.00 0.00 C ATOM 285 CG LEU A 20 1.303 0.480 2.073 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.019 1.962 2.262 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.604 -0.045 0.827 1.00 0.00 C ATOM 0 H LEU A 20 5.268 0.068 2.055 1.00 0.00 H new ATOM 0 HA LEU A 20 3.410 1.523 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.215 0.847 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.968 -0.810 1.700 1.00 0.00 H new ATOM 0 HG LEU A 20 0.913 -0.056 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.058 2.122 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.488 2.308 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.423 2.520 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.467 0.142 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.998 0.464 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.780 -1.117 0.736 1.00 0.00 H new ATOM 299 N LEU A 21 3.472 -1.737 4.174 1.00 0.00 N ATOM 300 CA LEU A 21 3.118 -2.758 5.153 1.00 0.00 C ATOM 301 C LEU A 21 3.631 -2.384 6.540 1.00 0.00 C ATOM 302 O LEU A 21 2.983 -2.662 7.550 1.00 0.00 O ATOM 303 CB LEU A 21 3.688 -4.115 4.735 1.00 0.00 C ATOM 304 CG LEU A 21 3.027 -4.777 3.527 1.00 0.00 C ATOM 305 CD1 LEU A 21 1.897 -5.693 3.972 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.511 -3.724 2.557 1.00 0.00 C ATOM 0 H LEU A 21 3.955 -2.094 3.349 1.00 0.00 H new ATOM 0 HA LEU A 21 2.031 -2.825 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.749 -3.990 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.612 -4.795 5.583 1.00 0.00 H new ATOM 0 HG LEU A 21 3.776 -5.380 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.438 -6.156 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.294 -6.469 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.148 -5.112 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.043 -4.214 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.777 -3.094 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.342 -3.109 2.212 1.00 0.00 H new ATOM 318 N HIS A 22 4.798 -1.748 6.582 1.00 0.00 N ATOM 319 CA HIS A 22 5.397 -1.332 7.845 1.00 0.00 C ATOM 320 C HIS A 22 4.600 -0.195 8.476 1.00 0.00 C ATOM 321 O HIS A 22 4.066 -0.333 9.578 1.00 0.00 O ATOM 322 CB HIS A 22 6.846 -0.896 7.628 1.00 0.00 C ATOM 323 CG HIS A 22 7.586 -0.619 8.900 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.066 -1.616 9.723 1.00 0.00 N ATOM 325 CD2 HIS A 22 7.929 0.551 9.488 1.00 0.00 C ATOM 326 CE1 HIS A 22 8.670 -1.071 10.764 1.00 0.00 C ATOM 327 NE2 HIS A 22 8.602 0.243 10.645 1.00 0.00 N ATOM 0 H HIS A 22 5.347 -1.510 5.756 1.00 0.00 H new ATOM 0 HA HIS A 22 5.380 -2.184 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.371 -1.674 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.858 0.000 7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.714 1.542 9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.140 -1.608 11.575 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.987 0.919 11.305 1.00 0.00 H new ATOM 336 N LEU A 23 4.524 0.929 7.772 1.00 0.00 N ATOM 337 CA LEU A 23 3.792 2.092 8.263 1.00 0.00 C ATOM 338 C LEU A 23 2.366 1.714 8.651 1.00 0.00 C ATOM 339 O LEU A 23 1.962 1.875 9.802 1.00 0.00 O ATOM 340 CB LEU A 23 3.769 3.191 7.200 1.00 0.00 C ATOM 341 CG LEU A 23 4.978 4.127 7.176 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.257 4.603 5.759 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.753 5.312 8.104 1.00 0.00 C ATOM 0 H LEU A 23 4.960 1.060 6.859 1.00 0.00 H new ATOM 0 HA LEU A 23 4.304 2.464 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.680 2.720 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.872 3.792 7.347 1.00 0.00 H new ATOM 0 HG LEU A 23 5.848 3.574 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.121 5.268 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.463 3.744 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.388 5.139 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.623 5.968 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.871 5.865 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.603 4.953 9.122 1.00 0.00 H new ATOM 355 N ALA A 24 1.609 1.209 7.682 1.00 0.00 N ATOM 356 CA ALA A 24 0.230 0.804 7.923 1.00 0.00 C ATOM 357 C ALA A 24 0.069 0.203 9.315 1.00 0.00 C ATOM 358 O ALA A 24 -0.843 0.566 10.058 1.00 0.00 O ATOM 359 CB ALA A 24 -0.222 -0.189 6.862 1.00 0.00 C ATOM 0 H ALA A 24 1.928 1.071 6.723 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.398 1.693 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.254 -0.483 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.154 0.274 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.418 -1.071 6.893 1.00 0.00 H new ATOM 365 N LYS A 25 0.961 -0.719 9.663 1.00 0.00 N ATOM 366 CA LYS A 25 0.919 -1.371 10.966 1.00 0.00 C ATOM 367 C LYS A 25 1.225 -0.377 12.082 1.00 0.00 C ATOM 368 O LYS A 25 0.492 -0.291 13.069 1.00 0.00 O ATOM 369 CB LYS A 25 1.919 -2.529 11.012 1.00 0.00 C ATOM 370 CG LYS A 25 2.117 -3.106 12.403 1.00 0.00 C ATOM 371 CD LYS A 25 3.537 -3.610 12.601 1.00 0.00 C ATOM 372 CE LYS A 25 3.923 -4.622 11.532 1.00 0.00 C ATOM 373 NZ LYS A 25 4.907 -5.617 12.041 1.00 0.00 N ATOM 0 H LYS A 25 1.722 -1.031 9.060 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.087 -1.761 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.577 -3.320 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.880 -2.184 10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.893 -2.344 13.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.414 -3.924 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.230 -2.769 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.628 -4.067 13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.030 -5.140 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.345 -4.100 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.145 -6.289 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.769 -5.125 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.495 -6.133 12.845 1.00 0.00 H new ATOM 387 N LEU A 26 2.309 0.373 11.919 1.00 0.00 N ATOM 388 CA LEU A 26 2.710 1.364 12.912 1.00 0.00 C ATOM 389 C LEU A 26 1.543 2.276 13.274 1.00 0.00 C ATOM 390 O LEU A 26 1.186 2.409 14.444 1.00 0.00 O ATOM 391 CB LEU A 26 3.880 2.197 12.386 1.00 0.00 C ATOM 392 CG LEU A 26 5.204 1.455 12.201 1.00 0.00 C ATOM 393 CD1 LEU A 26 6.000 2.061 11.055 1.00 0.00 C ATOM 394 CD2 LEU A 26 6.014 1.480 13.488 1.00 0.00 C ATOM 0 H LEU A 26 2.926 0.314 11.109 1.00 0.00 H new ATOM 0 HA LEU A 26 3.025 0.834 13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.591 2.628 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.045 3.028 13.072 1.00 0.00 H new ATOM 0 HG LEU A 26 4.985 0.416 11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.939 1.520 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.423 1.989 10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.209 3.109 11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.953 0.947 13.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.224 2.513 13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.447 0.998 14.284 1.00 0.00 H new ATOM 406 N MET A 27 0.951 2.901 12.261 1.00 0.00 N ATOM 407 CA MET A 27 -0.179 3.798 12.473 1.00 0.00 C ATOM 408 C MET A 27 -1.283 3.533 11.454 1.00 0.00 C ATOM 409 O MET A 27 -1.377 4.192 10.419 1.00 0.00 O ATOM 410 CB MET A 27 0.276 5.256 12.381 1.00 0.00 C ATOM 411 CG MET A 27 1.614 5.518 13.052 1.00 0.00 C ATOM 412 SD MET A 27 2.190 7.210 12.814 1.00 0.00 S ATOM 413 CE MET A 27 3.016 7.068 11.231 1.00 0.00 C ATOM 0 H MET A 27 1.235 2.803 11.286 1.00 0.00 H new ATOM 0 HA MET A 27 -0.577 3.611 13.470 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.343 5.542 11.331 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.481 5.894 12.837 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.527 5.315 14.119 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.357 4.826 12.655 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.143 8.060 10.797 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.993 6.605 11.371 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.415 6.453 10.561 1.00 0.00 H new ATOM 423 N PRO A 28 -2.139 2.544 11.752 1.00 0.00 N ATOM 424 CA PRO A 28 -3.252 2.169 10.874 1.00 0.00 C ATOM 425 C PRO A 28 -4.342 3.234 10.834 1.00 0.00 C ATOM 426 O PRO A 28 -5.242 3.185 9.994 1.00 0.00 O ATOM 427 CB PRO A 28 -3.785 0.882 11.507 1.00 0.00 C ATOM 428 CG PRO A 28 -3.396 0.976 12.942 1.00 0.00 C ATOM 429 CD PRO A 28 -2.088 1.717 12.969 1.00 0.00 C ATOM 0 HA PRO A 28 -2.932 2.050 9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.866 0.804 11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.351 0.000 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.156 1.504 13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.292 -0.015 13.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.991 2.328 13.866 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.239 1.034 12.955 1.00 0.00 H new ATOM 437 N THR A 29 -4.257 4.198 11.746 1.00 0.00 N ATOM 438 CA THR A 29 -5.237 5.274 11.815 1.00 0.00 C ATOM 439 C THR A 29 -4.580 6.631 11.584 1.00 0.00 C ATOM 440 O THR A 29 -5.064 7.654 12.067 1.00 0.00 O ATOM 441 CB THR A 29 -5.959 5.291 13.175 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.000 5.324 14.238 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.851 4.068 13.329 1.00 0.00 C ATOM 0 H THR A 29 -3.519 4.255 12.447 1.00 0.00 H new ATOM 0 HA THR A 29 -5.967 5.087 11.027 1.00 0.00 H new ATOM 0 HB THR A 29 -6.582 6.184 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.467 5.336 15.100 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.351 4.102 14.297 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.598 4.060 12.535 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.244 3.165 13.265 1.00 0.00 H new ATOM 451 N GLN A 30 -3.477 6.631 10.844 1.00 0.00 N ATOM 452 CA GLN A 30 -2.754 7.863 10.550 1.00 0.00 C ATOM 453 C GLN A 30 -2.372 7.931 9.075 1.00 0.00 C ATOM 454 O GLN A 30 -1.303 8.429 8.724 1.00 0.00 O ATOM 455 CB GLN A 30 -1.500 7.963 11.419 1.00 0.00 C ATOM 456 CG GLN A 30 -1.799 8.148 12.898 1.00 0.00 C ATOM 457 CD GLN A 30 -2.810 9.247 13.157 1.00 0.00 C ATOM 458 OE1 GLN A 30 -2.613 10.394 12.757 1.00 0.00 O ATOM 459 NE2 GLN A 30 -3.902 8.901 13.830 1.00 0.00 N ATOM 0 H GLN A 30 -3.064 5.792 10.437 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.411 8.703 10.775 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.904 7.060 11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.893 8.799 11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.174 7.211 13.309 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.874 8.379 13.425 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.025 7.938 14.143 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.618 9.598 14.034 1.00 0.00 H new ATOM 468 N TRP A 31 -3.251 7.426 8.217 1.00 0.00 N ATOM 469 CA TRP A 31 -3.005 7.430 6.779 1.00 0.00 C ATOM 470 C TRP A 31 -2.634 8.827 6.294 1.00 0.00 C ATOM 471 O TRP A 31 -1.731 8.989 5.473 1.00 0.00 O ATOM 472 CB TRP A 31 -4.239 6.926 6.029 1.00 0.00 C ATOM 473 CG TRP A 31 -4.709 5.581 6.493 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.825 5.313 7.233 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.074 4.321 6.249 1.00 0.00 C ATOM 476 NE1 TRP A 31 -5.922 3.962 7.464 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.861 3.331 6.871 1.00 0.00 C ATOM 478 CE3 TRP A 31 -2.919 3.932 5.566 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.528 1.980 6.828 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.589 2.590 5.524 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.391 1.628 6.152 1.00 0.00 C ATOM 0 H TRP A 31 -4.140 7.009 8.492 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.168 6.762 6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.048 7.647 6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.013 6.876 4.964 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.528 6.054 7.585 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.664 3.503 7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.295 4.667 5.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.145 1.236 7.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.698 2.278 4.999 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.106 0.587 6.102 1.00 0.00 H new ATOM 492 N ARG A 32 -3.336 9.832 6.807 1.00 0.00 N ATOM 493 CA ARG A 32 -3.080 11.216 6.424 1.00 0.00 C ATOM 494 C ARG A 32 -1.660 11.630 6.800 1.00 0.00 C ATOM 495 O ARG A 32 -1.136 12.622 6.293 1.00 0.00 O ATOM 496 CB ARG A 32 -4.090 12.148 7.095 1.00 0.00 C ATOM 497 CG ARG A 32 -5.426 12.219 6.375 1.00 0.00 C ATOM 498 CD ARG A 32 -6.469 12.949 7.206 1.00 0.00 C ATOM 499 NE ARG A 32 -6.320 14.399 7.120 1.00 0.00 N ATOM 500 CZ ARG A 32 -6.767 15.240 8.047 1.00 0.00 C ATOM 501 NH1 ARG A 32 -7.388 14.777 9.122 1.00 0.00 N ATOM 502 NH2 ARG A 32 -6.593 16.547 7.898 1.00 0.00 N ATOM 0 H ARG A 32 -4.086 9.714 7.488 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.188 11.294 5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.256 11.813 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.664 13.150 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.299 12.728 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.776 11.210 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.466 12.666 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.386 12.637 8.247 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.847 14.788 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.524 13.773 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.730 15.425 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.116 16.907 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.936 17.192 8.610 1.00 0.00 H new ATOM 516 N THR A 33 -1.043 10.865 7.695 1.00 0.00 N ATOM 517 CA THR A 33 0.314 11.153 8.141 1.00 0.00 C ATOM 518 C THR A 33 1.333 10.309 7.383 1.00 0.00 C ATOM 519 O THR A 33 2.449 10.756 7.119 1.00 0.00 O ATOM 520 CB THR A 33 0.476 10.897 9.651 1.00 0.00 C ATOM 521 OG1 THR A 33 -0.545 11.591 10.377 1.00 0.00 O ATOM 522 CG2 THR A 33 1.846 11.349 10.133 1.00 0.00 C ATOM 0 H THR A 33 -1.462 10.041 8.125 1.00 0.00 H new ATOM 0 HA THR A 33 0.496 12.208 7.937 1.00 0.00 H new ATOM 0 HB THR A 33 0.383 9.826 9.828 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.437 11.422 11.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.937 11.158 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.620 10.798 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.965 12.416 9.944 1.00 0.00 H new ATOM 530 N ILE A 34 0.941 9.089 7.034 1.00 0.00 N ATOM 531 CA ILE A 34 1.820 8.184 6.304 1.00 0.00 C ATOM 532 C ILE A 34 1.903 8.568 4.830 1.00 0.00 C ATOM 533 O ILE A 34 2.915 8.329 4.172 1.00 0.00 O ATOM 534 CB ILE A 34 1.344 6.724 6.416 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.335 6.278 7.879 1.00 0.00 C ATOM 536 CG2 ILE A 34 2.233 5.811 5.584 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.678 4.933 8.097 1.00 0.00 C ATOM 0 H ILE A 34 0.020 8.704 7.245 1.00 0.00 H new ATOM 0 HA ILE A 34 2.808 8.271 6.756 1.00 0.00 H new ATOM 0 HB ILE A 34 0.327 6.659 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.361 6.235 8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.816 7.028 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.884 4.782 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.193 6.118 4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.260 5.878 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.708 4.681 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.359 4.976 7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.211 4.171 7.528 1.00 0.00 H new ATOM 549 N ALA A 35 0.833 9.167 4.319 1.00 0.00 N ATOM 550 CA ALA A 35 0.786 9.589 2.925 1.00 0.00 C ATOM 551 C ALA A 35 2.049 10.352 2.539 1.00 0.00 C ATOM 552 O ALA A 35 2.775 9.974 1.619 1.00 0.00 O ATOM 553 CB ALA A 35 -0.447 10.443 2.673 1.00 0.00 C ATOM 0 H ALA A 35 -0.014 9.371 4.850 1.00 0.00 H new ATOM 0 HA ALA A 35 0.729 8.696 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.469 10.751 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.343 9.865 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.414 11.326 3.311 1.00 0.00 H new ATOM 559 N PRO A 36 2.319 11.452 3.257 1.00 0.00 N ATOM 560 CA PRO A 36 3.494 12.291 3.008 1.00 0.00 C ATOM 561 C PRO A 36 4.795 11.598 3.399 1.00 0.00 C ATOM 562 O PRO A 36 5.884 12.071 3.072 1.00 0.00 O ATOM 563 CB PRO A 36 3.252 13.514 3.896 1.00 0.00 C ATOM 564 CG PRO A 36 2.366 13.020 4.987 1.00 0.00 C ATOM 565 CD PRO A 36 1.497 11.961 4.368 1.00 0.00 C ATOM 0 HA PRO A 36 3.606 12.531 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.188 13.906 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.779 14.322 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.952 12.612 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.762 13.830 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.253 11.174 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.552 12.373 4.013 1.00 0.00 H new ATOM 573 N ILE A 37 4.674 10.476 4.100 1.00 0.00 N ATOM 574 CA ILE A 37 5.841 9.717 4.534 1.00 0.00 C ATOM 575 C ILE A 37 6.217 8.653 3.508 1.00 0.00 C ATOM 576 O ILE A 37 7.335 8.136 3.518 1.00 0.00 O ATOM 577 CB ILE A 37 5.597 9.039 5.895 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.326 10.091 6.972 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.790 8.176 6.278 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.815 9.508 8.271 1.00 0.00 C ATOM 0 H ILE A 37 3.780 10.072 4.380 1.00 0.00 H new ATOM 0 HA ILE A 37 6.661 10.428 4.634 1.00 0.00 H new ATOM 0 HB ILE A 37 4.720 8.397 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.245 10.644 7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.597 10.808 6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.603 7.703 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.941 7.407 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.682 8.798 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.645 10.311 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.879 8.979 8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.552 8.813 8.673 1.00 0.00 H new ATOM 592 N ILE A 38 5.278 8.333 2.625 1.00 0.00 N ATOM 593 CA ILE A 38 5.513 7.332 1.591 1.00 0.00 C ATOM 594 C ILE A 38 5.584 7.975 0.210 1.00 0.00 C ATOM 595 O ILE A 38 6.334 7.528 -0.657 1.00 0.00 O ATOM 596 CB ILE A 38 4.411 6.257 1.588 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.474 5.426 2.871 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.547 5.363 0.364 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.569 4.215 2.852 1.00 0.00 C ATOM 0 H ILE A 38 4.348 8.752 2.604 1.00 0.00 H new ATOM 0 HA ILE A 38 6.469 6.860 1.819 1.00 0.00 H new ATOM 0 HB ILE A 38 3.441 6.752 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.501 5.099 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.204 6.058 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.761 4.608 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.457 5.967 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.521 4.873 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.666 3.674 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.535 4.535 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.853 3.562 2.027 1.00 0.00 H new ATOM 611 N GLY A 39 4.799 9.030 0.013 1.00 0.00 N ATOM 612 CA GLY A 39 4.789 9.719 -1.264 1.00 0.00 C ATOM 613 C GLY A 39 3.412 9.747 -1.898 1.00 0.00 C ATOM 614 O GLY A 39 3.092 10.656 -2.663 1.00 0.00 O ATOM 0 H GLY A 39 4.170 9.420 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.142 10.741 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.488 9.230 -1.943 1.00 0.00 H new ATOM 618 N ARG A 40 2.596 8.747 -1.580 1.00 0.00 N ATOM 619 CA ARG A 40 1.247 8.659 -2.126 1.00 0.00 C ATOM 620 C ARG A 40 0.230 9.260 -1.161 1.00 0.00 C ATOM 621 O ARG A 40 0.578 9.684 -0.058 1.00 0.00 O ATOM 622 CB ARG A 40 0.888 7.201 -2.420 1.00 0.00 C ATOM 623 CG ARG A 40 1.392 6.709 -3.767 1.00 0.00 C ATOM 624 CD ARG A 40 2.805 6.155 -3.663 1.00 0.00 C ATOM 625 NE ARG A 40 3.815 7.190 -3.866 1.00 0.00 N ATOM 626 CZ ARG A 40 4.049 7.769 -5.038 1.00 0.00 C ATOM 627 NH1 ARG A 40 3.349 7.417 -6.107 1.00 0.00 N ATOM 628 NH2 ARG A 40 4.985 8.704 -5.143 1.00 0.00 N ATOM 0 H ARG A 40 2.846 7.987 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 40 1.220 9.228 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.301 6.569 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.196 7.088 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.724 5.936 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.373 7.528 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.945 5.700 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.940 5.366 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 40 4.371 7.484 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.628 6.699 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.531 7.864 -7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.526 8.979 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.164 9.148 -6.044 1.00 0.00 H new ATOM 642 N THR A 41 -1.030 9.295 -1.583 1.00 0.00 N ATOM 643 CA THR A 41 -2.098 9.845 -0.758 1.00 0.00 C ATOM 644 C THR A 41 -2.652 8.795 0.198 1.00 0.00 C ATOM 645 O THR A 41 -2.589 7.597 -0.077 1.00 0.00 O ATOM 646 CB THR A 41 -3.249 10.394 -1.622 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.671 9.402 -2.564 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.819 11.652 -2.360 1.00 0.00 C ATOM 0 H THR A 41 -1.336 8.949 -2.492 1.00 0.00 H new ATOM 0 HA THR A 41 -1.663 10.662 -0.183 1.00 0.00 H new ATOM 0 HB THR A 41 -4.080 10.645 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.276 9.594 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.648 12.021 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.527 12.415 -1.639 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.973 11.423 -3.008 1.00 0.00 H new ATOM 656 N ALA A 42 -3.195 9.251 1.322 1.00 0.00 N ATOM 657 CA ALA A 42 -3.762 8.350 2.317 1.00 0.00 C ATOM 658 C ALA A 42 -4.661 7.306 1.664 1.00 0.00 C ATOM 659 O ALA A 42 -4.558 6.115 1.955 1.00 0.00 O ATOM 660 CB ALA A 42 -4.539 9.139 3.361 1.00 0.00 C ATOM 0 H ALA A 42 -3.254 10.240 1.566 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.941 7.828 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.957 8.454 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.870 9.842 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.347 9.687 2.876 1.00 0.00 H new ATOM 666 N ALA A 43 -5.543 7.761 0.779 1.00 0.00 N ATOM 667 CA ALA A 43 -6.459 6.866 0.084 1.00 0.00 C ATOM 668 C ALA A 43 -5.698 5.784 -0.675 1.00 0.00 C ATOM 669 O ALA A 43 -5.975 4.594 -0.519 1.00 0.00 O ATOM 670 CB ALA A 43 -7.347 7.655 -0.867 1.00 0.00 C ATOM 0 H ALA A 43 -5.642 8.744 0.527 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.087 6.378 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.026 6.974 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.924 8.387 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.727 8.170 -1.601 1.00 0.00 H new ATOM 676 N GLN A 44 -4.741 6.204 -1.495 1.00 0.00 N ATOM 677 CA GLN A 44 -3.942 5.269 -2.279 1.00 0.00 C ATOM 678 C GLN A 44 -3.197 4.295 -1.371 1.00 0.00 C ATOM 679 O GLN A 44 -3.135 3.097 -1.647 1.00 0.00 O ATOM 680 CB GLN A 44 -2.947 6.027 -3.158 1.00 0.00 C ATOM 681 CG GLN A 44 -3.592 6.720 -4.348 1.00 0.00 C ATOM 682 CD GLN A 44 -2.631 6.908 -5.505 1.00 0.00 C ATOM 683 OE1 GLN A 44 -1.686 6.137 -5.674 1.00 0.00 O ATOM 684 NE2 GLN A 44 -2.867 7.937 -6.311 1.00 0.00 N ATOM 0 H GLN A 44 -4.500 7.185 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.618 4.699 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.431 6.771 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.190 5.331 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.449 6.135 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.972 7.692 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.662 8.551 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.253 8.113 -7.107 1.00 0.00 H new ATOM 693 N CYS A 45 -2.633 4.818 -0.288 1.00 0.00 N ATOM 694 CA CYS A 45 -1.891 3.996 0.661 1.00 0.00 C ATOM 695 C CYS A 45 -2.794 2.938 1.287 1.00 0.00 C ATOM 696 O CYS A 45 -2.466 1.751 1.295 1.00 0.00 O ATOM 697 CB CYS A 45 -1.275 4.870 1.754 1.00 0.00 C ATOM 698 SG CYS A 45 -0.068 6.071 1.146 1.00 0.00 S ATOM 0 H CYS A 45 -2.675 5.808 -0.045 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.092 3.491 0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.073 5.403 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.792 4.227 2.490 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.683 7.012 0.494 1.00 0.00 H new ATOM 704 N LEU A 46 -3.933 3.377 1.812 1.00 0.00 N ATOM 705 CA LEU A 46 -4.885 2.469 2.443 1.00 0.00 C ATOM 706 C LEU A 46 -5.423 1.458 1.435 1.00 0.00 C ATOM 707 O LEU A 46 -5.455 0.258 1.703 1.00 0.00 O ATOM 708 CB LEU A 46 -6.042 3.258 3.058 1.00 0.00 C ATOM 709 CG LEU A 46 -7.277 2.444 3.446 1.00 0.00 C ATOM 710 CD1 LEU A 46 -6.955 1.498 4.592 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.427 3.368 3.821 1.00 0.00 C ATOM 0 H LEU A 46 -4.220 4.356 1.813 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.364 1.926 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.674 3.770 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.347 4.029 2.350 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.581 1.848 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.846 0.927 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.163 0.814 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.625 2.073 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.298 2.772 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.133 3.990 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.675 4.004 2.971 1.00 0.00 H new ATOM 723 N GLU A 47 -5.841 1.953 0.274 1.00 0.00 N ATOM 724 CA GLU A 47 -6.376 1.091 -0.774 1.00 0.00 C ATOM 725 C GLU A 47 -5.338 0.065 -1.218 1.00 0.00 C ATOM 726 O GLU A 47 -5.614 -1.134 -1.265 1.00 0.00 O ATOM 727 CB GLU A 47 -6.827 1.929 -1.973 1.00 0.00 C ATOM 728 CG GLU A 47 -7.775 1.195 -2.906 1.00 0.00 C ATOM 729 CD GLU A 47 -8.581 2.138 -3.778 1.00 0.00 C ATOM 730 OE1 GLU A 47 -8.029 2.639 -4.780 1.00 0.00 O ATOM 731 OE2 GLU A 47 -9.765 2.375 -3.458 1.00 0.00 O ATOM 0 H GLU A 47 -5.820 2.945 0.036 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.236 0.559 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.315 2.833 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.949 2.245 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.203 0.519 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.455 0.580 -2.317 1.00 0.00 H new ATOM 738 N HIS A 48 -4.141 0.545 -1.543 1.00 0.00 N ATOM 739 CA HIS A 48 -3.060 -0.329 -1.983 1.00 0.00 C ATOM 740 C HIS A 48 -2.682 -1.320 -0.887 1.00 0.00 C ATOM 741 O HIS A 48 -2.613 -2.527 -1.123 1.00 0.00 O ATOM 742 CB HIS A 48 -1.838 0.497 -2.383 1.00 0.00 C ATOM 743 CG HIS A 48 -0.791 -0.293 -3.106 1.00 0.00 C ATOM 744 ND1 HIS A 48 -1.012 -0.896 -4.326 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.490 -0.576 -2.775 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.087 -1.518 -4.714 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.014 -1.338 -3.790 1.00 0.00 N ATOM 0 H HIS A 48 -3.896 1.535 -1.510 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.410 -0.889 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.160 1.323 -3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.397 0.935 -1.488 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.888 -0.866 -4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.005 -0.261 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.207 -2.078 -5.630 1.00 0.00 H new ATOM 756 N TYR A 49 -2.439 -0.804 0.313 1.00 0.00 N ATOM 757 CA TYR A 49 -2.065 -1.643 1.445 1.00 0.00 C ATOM 758 C TYR A 49 -2.987 -2.853 1.554 1.00 0.00 C ATOM 759 O TYR A 49 -2.575 -3.985 1.305 1.00 0.00 O ATOM 760 CB TYR A 49 -2.109 -0.834 2.742 1.00 0.00 C ATOM 761 CG TYR A 49 -2.083 -1.689 3.990 1.00 0.00 C ATOM 762 CD1 TYR A 49 -0.977 -2.471 4.296 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.165 -1.715 4.861 1.00 0.00 C ATOM 764 CE1 TYR A 49 -0.948 -3.254 5.434 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.145 -2.493 6.001 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.035 -3.261 6.284 1.00 0.00 C ATOM 767 OH TYR A 49 -2.012 -4.039 7.418 1.00 0.00 O ATOM 0 H TYR A 49 -2.494 0.192 0.527 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.048 -1.999 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.261 -0.150 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.012 -0.223 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.125 -2.467 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.037 -1.116 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.080 -3.857 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.994 -2.500 6.668 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.854 -3.929 7.907 1.00 0.00 H new ATOM 777 N GLU A 50 -4.238 -2.603 1.929 1.00 0.00 N ATOM 778 CA GLU A 50 -5.220 -3.672 2.072 1.00 0.00 C ATOM 779 C GLU A 50 -5.175 -4.616 0.874 1.00 0.00 C ATOM 780 O GLU A 50 -5.185 -5.837 1.031 1.00 0.00 O ATOM 781 CB GLU A 50 -6.626 -3.086 2.221 1.00 0.00 C ATOM 782 CG GLU A 50 -6.817 -2.278 3.493 1.00 0.00 C ATOM 783 CD GLU A 50 -7.230 -3.136 4.673 1.00 0.00 C ATOM 784 OE1 GLU A 50 -6.334 -3.647 5.377 1.00 0.00 O ATOM 785 OE2 GLU A 50 -8.449 -3.296 4.892 1.00 0.00 O ATOM 0 H GLU A 50 -4.595 -1.671 2.139 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.973 -4.240 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.838 -2.450 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.353 -3.898 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.888 -1.760 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.574 -1.513 3.322 1.00 0.00 H new ATOM 792 N PHE A 51 -5.124 -4.042 -0.323 1.00 0.00 N ATOM 793 CA PHE A 51 -5.079 -4.831 -1.549 1.00 0.00 C ATOM 794 C PHE A 51 -3.927 -5.831 -1.509 1.00 0.00 C ATOM 795 O PHE A 51 -4.069 -6.976 -1.942 1.00 0.00 O ATOM 796 CB PHE A 51 -4.932 -3.915 -2.765 1.00 0.00 C ATOM 797 CG PHE A 51 -4.494 -4.635 -4.009 1.00 0.00 C ATOM 798 CD1 PHE A 51 -5.356 -5.499 -4.665 1.00 0.00 C ATOM 799 CD2 PHE A 51 -3.220 -4.449 -4.521 1.00 0.00 C ATOM 800 CE1 PHE A 51 -4.957 -6.163 -5.809 1.00 0.00 C ATOM 801 CE2 PHE A 51 -2.815 -5.110 -5.665 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.684 -5.969 -6.309 1.00 0.00 C ATOM 0 H PHE A 51 -5.113 -3.033 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.015 -5.384 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.886 -3.423 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.210 -3.132 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.352 -5.655 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.536 -3.780 -4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.639 -6.833 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.820 -4.955 -6.055 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.369 -6.488 -7.202 1.00 0.00 H new ATOM 812 N LEU A 52 -2.788 -5.392 -0.987 1.00 0.00 N ATOM 813 CA LEU A 52 -1.610 -6.248 -0.890 1.00 0.00 C ATOM 814 C LEU A 52 -1.898 -7.474 -0.030 1.00 0.00 C ATOM 815 O LEU A 52 -1.584 -8.602 -0.414 1.00 0.00 O ATOM 816 CB LEU A 52 -0.434 -5.465 -0.305 1.00 0.00 C ATOM 817 CG LEU A 52 0.096 -4.312 -1.158 1.00 0.00 C ATOM 818 CD1 LEU A 52 1.233 -3.598 -0.443 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.553 -4.820 -2.517 1.00 0.00 C ATOM 0 H LEU A 52 -2.654 -4.448 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.351 -6.584 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.735 -5.065 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.385 -6.161 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.713 -3.598 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.598 -2.781 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.873 -3.200 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.044 -4.302 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.927 -3.986 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.347 -5.554 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.287 -5.284 -3.033 1.00 0.00 H new ATOM 831 N LEU A 53 -2.498 -7.248 1.133 1.00 0.00 N ATOM 832 CA LEU A 53 -2.831 -8.335 2.047 1.00 0.00 C ATOM 833 C LEU A 53 -3.559 -9.458 1.316 1.00 0.00 C ATOM 834 O LEU A 53 -3.151 -10.618 1.375 1.00 0.00 O ATOM 835 CB LEU A 53 -3.696 -7.814 3.197 1.00 0.00 C ATOM 836 CG LEU A 53 -2.980 -6.956 4.240 1.00 0.00 C ATOM 837 CD1 LEU A 53 -1.902 -7.762 4.946 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.382 -5.716 3.591 1.00 0.00 C ATOM 0 H LEU A 53 -2.764 -6.321 1.466 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.901 -8.734 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.513 -7.230 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.144 -8.669 3.704 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.711 -6.637 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.403 -7.134 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.356 -8.618 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.172 -8.112 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.876 -5.117 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.665 -6.015 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.176 -5.126 3.133 1.00 0.00 H new ATOM 850 N ASP A 54 -4.637 -9.105 0.625 1.00 0.00 N ATOM 851 CA ASP A 54 -5.421 -10.082 -0.122 1.00 0.00 C ATOM 852 C ASP A 54 -4.628 -10.624 -1.306 1.00 0.00 C ATOM 853 O ASP A 54 -4.589 -11.832 -1.541 1.00 0.00 O ATOM 854 CB ASP A 54 -6.727 -9.454 -0.611 1.00 0.00 C ATOM 855 CG ASP A 54 -7.809 -10.486 -0.858 1.00 0.00 C ATOM 856 OD1 ASP A 54 -8.246 -11.132 0.118 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.219 -10.650 -2.026 1.00 0.00 O ATOM 0 H ASP A 54 -4.988 -8.149 0.566 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.654 -10.911 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.079 -8.733 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.539 -8.902 -1.532 1.00 0.00 H new ATOM 862 N LYS A 55 -3.997 -9.723 -2.051 1.00 0.00 N ATOM 863 CA LYS A 55 -3.204 -10.109 -3.212 1.00 0.00 C ATOM 864 C LYS A 55 -2.231 -11.229 -2.859 1.00 0.00 C ATOM 865 O LYS A 55 -2.065 -12.183 -3.619 1.00 0.00 O ATOM 866 CB LYS A 55 -2.433 -8.902 -3.754 1.00 0.00 C ATOM 867 CG LYS A 55 -1.638 -9.203 -5.012 1.00 0.00 C ATOM 868 CD LYS A 55 -0.862 -7.986 -5.486 1.00 0.00 C ATOM 869 CE LYS A 55 0.352 -7.722 -4.608 1.00 0.00 C ATOM 870 NZ LYS A 55 1.131 -6.543 -5.078 1.00 0.00 N ATOM 0 H LYS A 55 -4.019 -8.719 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.886 -10.472 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.137 -8.096 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.753 -8.540 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.947 -10.024 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.314 -9.534 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.541 -8.137 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.514 -7.112 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.028 -7.557 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.994 -8.603 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.846 -6.293 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.603 -6.774 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.489 -5.738 -5.221 1.00 0.00 H new ATOM 884 N ALA A 56 -1.592 -11.108 -1.700 1.00 0.00 N ATOM 885 CA ALA A 56 -0.639 -12.112 -1.244 1.00 0.00 C ATOM 886 C ALA A 56 -1.267 -13.502 -1.237 1.00 0.00 C ATOM 887 O ALA A 56 -0.654 -14.473 -1.679 1.00 0.00 O ATOM 888 CB ALA A 56 -0.121 -11.758 0.142 1.00 0.00 C ATOM 0 H ALA A 56 -1.717 -10.324 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 56 0.199 -12.124 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.590 -12.517 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.374 -10.787 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.955 -11.716 0.842 1.00 0.00 H new ATOM 894 N ALA A 57 -2.493 -13.589 -0.731 1.00 0.00 N ATOM 895 CA ALA A 57 -3.204 -14.860 -0.667 1.00 0.00 C ATOM 896 C ALA A 57 -3.345 -15.480 -2.053 1.00 0.00 C ATOM 897 O ALA A 57 -3.040 -16.656 -2.250 1.00 0.00 O ATOM 898 CB ALA A 57 -4.573 -14.667 -0.032 1.00 0.00 C ATOM 0 H ALA A 57 -3.014 -12.795 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.622 -15.543 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.093 -15.624 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.454 -14.275 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.155 -13.964 -0.628 1.00 0.00 H new ATOM 904 N GLN A 58 -3.808 -14.682 -3.009 1.00 0.00 N ATOM 905 CA GLN A 58 -3.990 -15.155 -4.377 1.00 0.00 C ATOM 906 C GLN A 58 -2.659 -15.577 -4.988 1.00 0.00 C ATOM 907 O GLN A 58 -2.533 -16.676 -5.530 1.00 0.00 O ATOM 908 CB GLN A 58 -4.636 -14.065 -5.234 1.00 0.00 C ATOM 909 CG GLN A 58 -6.066 -13.742 -4.831 1.00 0.00 C ATOM 910 CD GLN A 58 -6.844 -13.059 -5.939 1.00 0.00 C ATOM 911 OE1 GLN A 58 -6.574 -13.268 -7.122 1.00 0.00 O ATOM 912 NE2 GLN A 58 -7.816 -12.238 -5.560 1.00 0.00 N ATOM 0 H GLN A 58 -4.064 -13.706 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.648 -16.024 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.035 -13.158 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.624 -14.380 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.576 -14.662 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.055 -13.100 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.005 -12.095 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.374 -11.750 -6.261 1.00 0.00 H new ATOM 921 N ARG A 59 -1.667 -14.697 -4.899 1.00 0.00 N ATOM 922 CA ARG A 59 -0.344 -14.978 -5.445 1.00 0.00 C ATOM 923 C ARG A 59 0.284 -16.186 -4.755 1.00 0.00 C ATOM 924 O ARG A 59 0.916 -16.055 -3.707 1.00 0.00 O ATOM 925 CB ARG A 59 0.565 -13.758 -5.290 1.00 0.00 C ATOM 926 CG ARG A 59 1.755 -13.761 -6.235 1.00 0.00 C ATOM 927 CD ARG A 59 2.498 -12.435 -6.200 1.00 0.00 C ATOM 928 NE ARG A 59 3.742 -12.483 -6.964 1.00 0.00 N ATOM 929 CZ ARG A 59 4.775 -11.679 -6.738 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.713 -10.770 -5.775 1.00 0.00 N ATOM 931 NH2 ARG A 59 5.873 -11.785 -7.475 1.00 0.00 N ATOM 0 H ARG A 59 -1.754 -13.783 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.457 -15.205 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.021 -12.855 -5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.928 -13.714 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.435 -14.568 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.414 -13.961 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.857 -11.650 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.718 -12.170 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 59 3.822 -13.172 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.871 -10.687 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.508 -10.154 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.924 -12.484 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.666 -11.167 -7.301 1.00 0.00 H new ATOM 945 N ASP A 60 0.104 -17.360 -5.350 1.00 0.00 N ATOM 946 CA ASP A 60 0.653 -18.591 -4.793 1.00 0.00 C ATOM 947 C ASP A 60 1.977 -18.946 -5.461 1.00 0.00 C ATOM 948 O ASP A 60 2.012 -19.316 -6.635 1.00 0.00 O ATOM 949 CB ASP A 60 -0.342 -19.740 -4.961 1.00 0.00 C ATOM 950 CG ASP A 60 -1.667 -19.465 -4.277 1.00 0.00 C ATOM 951 OD1 ASP A 60 -1.659 -18.820 -3.208 1.00 0.00 O ATOM 952 OD2 ASP A 60 -2.711 -19.894 -4.810 1.00 0.00 O ATOM 0 H ASP A 60 -0.418 -17.485 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 60 0.835 -18.431 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.514 -19.915 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.091 -20.654 -4.554 1.00 0.00 H new ATOM 957 N SER A 61 3.065 -18.830 -4.706 1.00 0.00 N ATOM 958 CA SER A 61 4.393 -19.134 -5.227 1.00 0.00 C ATOM 959 C SER A 61 4.729 -20.609 -5.029 1.00 0.00 C ATOM 960 O SER A 61 5.845 -20.957 -4.644 1.00 0.00 O ATOM 961 CB SER A 61 5.445 -18.263 -4.539 1.00 0.00 C ATOM 962 OG SER A 61 6.641 -18.212 -5.298 1.00 0.00 O ATOM 0 H SER A 61 3.053 -18.528 -3.732 1.00 0.00 H new ATOM 0 HA SER A 61 4.396 -18.919 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.054 -17.255 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.657 -18.660 -3.546 1.00 0.00 H new ATOM 0 HG SER A 61 6.960 -19.123 -5.467 1.00 0.00 H new ATOM 968 N GLY A 62 3.754 -21.473 -5.295 1.00 0.00 N ATOM 969 CA GLY A 62 3.965 -22.901 -5.141 1.00 0.00 C ATOM 970 C GLY A 62 3.502 -23.689 -6.350 1.00 0.00 C ATOM 971 O GLY A 62 2.549 -23.315 -7.034 1.00 0.00 O ATOM 0 H GLY A 62 2.822 -21.210 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.024 -23.092 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.432 -23.251 -4.257 1.00 0.00 H new ATOM 975 N PRO A 63 4.186 -24.809 -6.628 1.00 0.00 N ATOM 976 CA PRO A 63 3.857 -25.675 -7.765 1.00 0.00 C ATOM 977 C PRO A 63 2.537 -26.413 -7.568 1.00 0.00 C ATOM 978 O PRO A 63 1.796 -26.644 -8.523 1.00 0.00 O ATOM 979 CB PRO A 63 5.023 -26.666 -7.804 1.00 0.00 C ATOM 980 CG PRO A 63 5.539 -26.699 -6.407 1.00 0.00 C ATOM 981 CD PRO A 63 5.332 -25.316 -5.856 1.00 0.00 C ATOM 0 HA PRO A 63 3.731 -25.108 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.693 -27.653 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.794 -26.343 -8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.006 -27.440 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.594 -26.973 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.119 -25.337 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.216 -24.693 -5.992 1.00 0.00 H new ATOM 989 N SER A 64 2.250 -26.781 -6.324 1.00 0.00 N ATOM 990 CA SER A 64 1.020 -27.496 -6.003 1.00 0.00 C ATOM 991 C SER A 64 -0.072 -26.528 -5.559 1.00 0.00 C ATOM 992 O SER A 64 0.186 -25.587 -4.808 1.00 0.00 O ATOM 993 CB SER A 64 1.278 -28.530 -4.905 1.00 0.00 C ATOM 994 OG SER A 64 1.976 -29.653 -5.415 1.00 0.00 O ATOM 0 H SER A 64 2.852 -26.596 -5.522 1.00 0.00 H new ATOM 0 HA SER A 64 0.682 -28.009 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.855 -28.074 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.330 -28.852 -4.475 1.00 0.00 H new ATOM 0 HG SER A 64 2.130 -30.298 -4.693 1.00 0.00 H new ATOM 1000 N SER A 65 -1.292 -26.765 -6.029 1.00 0.00 N ATOM 1001 CA SER A 65 -2.424 -25.913 -5.684 1.00 0.00 C ATOM 1002 C SER A 65 -2.720 -25.981 -4.189 1.00 0.00 C ATOM 1003 O SER A 65 -2.453 -26.990 -3.537 1.00 0.00 O ATOM 1004 CB SER A 65 -3.663 -26.327 -6.480 1.00 0.00 C ATOM 1005 OG SER A 65 -3.433 -26.218 -7.874 1.00 0.00 O ATOM 0 H SER A 65 -1.522 -27.541 -6.650 1.00 0.00 H new ATOM 0 HA SER A 65 -2.164 -24.886 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.932 -27.354 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.508 -25.699 -6.197 1.00 0.00 H new ATOM 0 HG SER A 65 -4.239 -26.490 -8.361 1.00 0.00 H new ATOM 1011 N GLY A 66 -3.273 -24.898 -3.652 1.00 0.00 N ATOM 1012 CA GLY A 66 -3.597 -24.854 -2.238 1.00 0.00 C ATOM 1013 C GLY A 66 -2.417 -24.428 -1.386 1.00 0.00 C ATOM 1014 O GLY A 66 -1.638 -23.562 -1.782 1.00 0.00 O ATOM 0 H GLY A 66 -3.502 -24.050 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.424 -24.162 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.938 -25.838 -1.916 1.00 0.00 H new TER 1018 GLY A 66