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 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 30 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.85) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0484 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.59 USER MOD Single : A 3 SER OG : rot -56:sc= 0.00645 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0925 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.625 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-6.3!) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -1.95 (180deg=-2.29) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 45 CYS SG : rot 170:sc= -0.0204 USER MOD Single : A 48 HIS : no HE2:sc= -9.37! C(o=-9.4!,f=-9!) 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= -2.64! K(o=-2.6!,f=-0.3) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.209 5.004 -30.546 1.00 0.00 N ATOM 2 CA GLY A 1 -10.933 4.899 -29.862 1.00 0.00 C ATOM 3 C GLY A 1 -10.020 3.867 -30.493 1.00 0.00 C ATOM 4 O GLY A 1 -10.156 3.547 -31.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.434 6.006 -30.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.155 4.509 -31.459 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.953 4.572 -29.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.439 5.870 -29.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.104 4.638 -28.818 1.00 0.00 H new ATOM 8 N SER A 2 -9.085 3.347 -29.705 1.00 0.00 N ATOM 9 CA SER A 2 -8.141 2.349 -30.195 1.00 0.00 C ATOM 10 C SER A 2 -7.889 1.275 -29.141 1.00 0.00 C ATOM 11 O SER A 2 -7.374 1.560 -28.059 1.00 0.00 O ATOM 12 CB SER A 2 -6.821 3.014 -30.587 1.00 0.00 C ATOM 13 OG SER A 2 -6.209 3.633 -29.469 1.00 0.00 O ATOM 0 H SER A 2 -8.961 3.600 -28.725 1.00 0.00 H new ATOM 0 HA SER A 2 -8.576 1.875 -31.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.146 2.269 -31.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.001 3.757 -31.364 1.00 0.00 H new ATOM 0 HG SER A 2 -6.519 3.202 -28.646 1.00 0.00 H new ATOM 19 N SER A 3 -8.256 0.039 -29.464 1.00 0.00 N ATOM 20 CA SER A 3 -8.073 -1.077 -28.544 1.00 0.00 C ATOM 21 C SER A 3 -8.755 -0.798 -27.208 1.00 0.00 C ATOM 22 O SER A 3 -8.202 -1.077 -26.146 1.00 0.00 O ATOM 23 CB SER A 3 -6.584 -1.346 -28.323 1.00 0.00 C ATOM 24 OG SER A 3 -6.367 -2.667 -27.860 1.00 0.00 O ATOM 0 H SER A 3 -8.682 -0.215 -30.356 1.00 0.00 H new ATOM 0 HA SER A 3 -8.532 -1.960 -28.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.041 -1.190 -29.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.186 -0.634 -27.600 1.00 0.00 H new ATOM 0 HG SER A 3 -6.889 -2.818 -27.045 1.00 0.00 H new ATOM 30 N GLY A 4 -9.962 -0.244 -27.271 1.00 0.00 N ATOM 31 CA GLY A 4 -10.701 0.065 -26.061 1.00 0.00 C ATOM 32 C GLY A 4 -10.135 1.264 -25.326 1.00 0.00 C ATOM 33 O GLY A 4 -9.035 1.725 -25.632 1.00 0.00 O ATOM 0 H GLY A 4 -10.441 -0.004 -28.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.743 0.257 -26.315 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.688 -0.802 -25.400 1.00 0.00 H new ATOM 37 N SER A 5 -10.888 1.772 -24.356 1.00 0.00 N ATOM 38 CA SER A 5 -10.457 2.928 -23.579 1.00 0.00 C ATOM 39 C SER A 5 -9.958 2.502 -22.202 1.00 0.00 C ATOM 40 O SER A 5 -10.672 1.842 -21.448 1.00 0.00 O ATOM 41 CB SER A 5 -11.607 3.927 -23.431 1.00 0.00 C ATOM 42 OG SER A 5 -11.279 4.948 -22.505 1.00 0.00 O ATOM 0 H SER A 5 -11.800 1.401 -24.089 1.00 0.00 H new ATOM 0 HA SER A 5 -9.635 3.407 -24.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.835 4.370 -24.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.505 3.406 -23.100 1.00 0.00 H new ATOM 0 HG SER A 5 -12.029 5.574 -22.429 1.00 0.00 H new ATOM 48 N SER A 6 -8.726 2.886 -21.882 1.00 0.00 N ATOM 49 CA SER A 6 -8.128 2.541 -20.597 1.00 0.00 C ATOM 50 C SER A 6 -7.427 3.749 -19.982 1.00 0.00 C ATOM 51 O SER A 6 -7.151 4.735 -20.665 1.00 0.00 O ATOM 52 CB SER A 6 -7.134 1.391 -20.766 1.00 0.00 C ATOM 53 OG SER A 6 -6.583 1.006 -19.518 1.00 0.00 O ATOM 0 H SER A 6 -8.123 3.436 -22.494 1.00 0.00 H new ATOM 0 HA SER A 6 -8.926 2.226 -19.925 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.634 0.538 -21.225 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.335 1.693 -21.442 1.00 0.00 H new ATOM 0 HG SER A 6 -5.952 0.268 -19.653 1.00 0.00 H new ATOM 59 N GLY A 7 -7.142 3.664 -18.687 1.00 0.00 N ATOM 60 CA GLY A 7 -6.476 4.756 -18.000 1.00 0.00 C ATOM 61 C GLY A 7 -5.133 4.348 -17.429 1.00 0.00 C ATOM 62 O GLY A 7 -4.608 3.283 -17.756 1.00 0.00 O ATOM 0 H GLY A 7 -7.360 2.859 -18.100 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.336 5.586 -18.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.115 5.118 -17.195 1.00 0.00 H new ATOM 66 N LYS A 8 -4.573 5.197 -16.574 1.00 0.00 N ATOM 67 CA LYS A 8 -3.281 4.921 -15.956 1.00 0.00 C ATOM 68 C LYS A 8 -3.442 4.628 -14.468 1.00 0.00 C ATOM 69 O LYS A 8 -4.380 5.106 -13.828 1.00 0.00 O ATOM 70 CB LYS A 8 -2.334 6.106 -16.154 1.00 0.00 C ATOM 71 CG LYS A 8 -1.832 6.252 -17.580 1.00 0.00 C ATOM 72 CD LYS A 8 -0.579 5.426 -17.818 1.00 0.00 C ATOM 73 CE LYS A 8 0.284 6.026 -18.917 1.00 0.00 C ATOM 74 NZ LYS A 8 1.072 7.192 -18.430 1.00 0.00 N ATOM 0 H LYS A 8 -4.994 6.083 -16.293 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.856 4.041 -16.438 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.847 7.023 -15.863 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.480 5.993 -15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.612 5.940 -18.275 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.622 7.301 -17.787 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.003 5.363 -16.895 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.859 4.408 -18.089 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.962 5.265 -19.302 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.350 6.337 -19.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.647 7.572 -19.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.424 7.929 -18.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.696 6.890 -17.655 1.00 0.00 H new ATOM 88 N LYS A 9 -2.521 3.841 -13.921 1.00 0.00 N ATOM 89 CA LYS A 9 -2.559 3.487 -12.507 1.00 0.00 C ATOM 90 C LYS A 9 -1.160 3.522 -11.901 1.00 0.00 C ATOM 91 O LYS A 9 -0.284 2.748 -12.288 1.00 0.00 O ATOM 92 CB LYS A 9 -3.171 2.096 -12.325 1.00 0.00 C ATOM 93 CG LYS A 9 -4.626 2.011 -12.752 1.00 0.00 C ATOM 94 CD LYS A 9 -4.755 1.693 -14.232 1.00 0.00 C ATOM 95 CE LYS A 9 -6.027 0.913 -14.526 1.00 0.00 C ATOM 96 NZ LYS A 9 -7.247 1.737 -14.303 1.00 0.00 N ATOM 0 H LYS A 9 -1.739 3.436 -14.436 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.179 4.220 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.590 1.375 -12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.091 1.807 -11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.133 1.243 -12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.125 2.956 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.755 2.620 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.890 1.116 -14.558 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.008 0.564 -15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.065 0.028 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.093 1.170 -14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.278 2.049 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.223 2.568 -14.927 1.00 0.00 H new ATOM 110 N THR A 10 -0.956 4.423 -10.945 1.00 0.00 N ATOM 111 CA THR A 10 0.336 4.559 -10.285 1.00 0.00 C ATOM 112 C THR A 10 0.827 3.215 -9.757 1.00 0.00 C ATOM 113 O THR A 10 0.379 2.748 -8.711 1.00 0.00 O ATOM 114 CB THR A 10 0.268 5.561 -9.117 1.00 0.00 C ATOM 115 OG1 THR A 10 -0.167 6.839 -9.594 1.00 0.00 O ATOM 116 CG2 THR A 10 1.625 5.701 -8.444 1.00 0.00 C ATOM 0 H THR A 10 -1.670 5.070 -10.610 1.00 0.00 H new ATOM 0 HA THR A 10 1.035 4.931 -11.033 1.00 0.00 H new ATOM 0 HB THR A 10 -0.446 5.184 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.209 7.470 -8.846 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.552 6.414 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.941 4.732 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.356 6.058 -9.170 1.00 0.00 H new ATOM 124 N GLU A 11 1.751 2.600 -10.489 1.00 0.00 N ATOM 125 CA GLU A 11 2.303 1.309 -10.093 1.00 0.00 C ATOM 126 C GLU A 11 3.258 1.464 -8.913 1.00 0.00 C ATOM 127 O GLU A 11 4.174 2.286 -8.946 1.00 0.00 O ATOM 128 CB GLU A 11 3.031 0.658 -11.271 1.00 0.00 C ATOM 129 CG GLU A 11 2.142 0.420 -12.480 1.00 0.00 C ATOM 130 CD GLU A 11 2.117 1.603 -13.427 1.00 0.00 C ATOM 131 OE1 GLU A 11 3.087 2.390 -13.421 1.00 0.00 O ATOM 132 OE2 GLU A 11 1.127 1.742 -14.176 1.00 0.00 O ATOM 0 H GLU A 11 2.133 2.974 -11.358 1.00 0.00 H new ATOM 0 HA GLU A 11 1.476 0.668 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.868 1.292 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.451 -0.294 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.492 -0.462 -13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.127 0.207 -12.144 1.00 0.00 H new ATOM 139 N TRP A 12 3.036 0.670 -7.872 1.00 0.00 N ATOM 140 CA TRP A 12 3.876 0.719 -6.681 1.00 0.00 C ATOM 141 C TRP A 12 5.167 -0.063 -6.893 1.00 0.00 C ATOM 142 O TRP A 12 5.196 -1.041 -7.640 1.00 0.00 O ATOM 143 CB TRP A 12 3.119 0.160 -5.475 1.00 0.00 C ATOM 144 CG TRP A 12 2.068 1.091 -4.950 1.00 0.00 C ATOM 145 CD1 TRP A 12 1.006 1.602 -5.640 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.980 1.624 -3.623 1.00 0.00 C ATOM 147 NE1 TRP A 12 0.264 2.420 -4.823 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.840 2.449 -3.581 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.753 1.482 -2.467 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.456 3.129 -2.428 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.371 2.158 -1.324 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.231 2.973 -1.311 1.00 0.00 C ATOM 0 H TRP A 12 2.282 -0.015 -7.828 1.00 0.00 H new ATOM 0 HA TRP A 12 4.132 1.761 -6.490 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.651 -0.784 -5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.830 -0.060 -4.679 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.782 1.394 -6.676 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.579 2.924 -5.097 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.633 0.855 -2.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.422 3.757 -2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.961 2.057 -0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.959 3.488 -0.402 1.00 0.00 H new ATOM 163 N SER A 13 6.234 0.373 -6.230 1.00 0.00 N ATOM 164 CA SER A 13 7.530 -0.285 -6.350 1.00 0.00 C ATOM 165 C SER A 13 7.839 -1.107 -5.102 1.00 0.00 C ATOM 166 O SER A 13 7.381 -0.786 -4.005 1.00 0.00 O ATOM 167 CB SER A 13 8.632 0.750 -6.578 1.00 0.00 C ATOM 168 OG SER A 13 8.574 1.780 -5.607 1.00 0.00 O ATOM 0 H SER A 13 6.226 1.179 -5.605 1.00 0.00 H new ATOM 0 HA SER A 13 7.490 -0.958 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.606 0.263 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.531 1.180 -7.575 1.00 0.00 H new ATOM 0 HG SER A 13 9.290 2.428 -5.774 1.00 0.00 H new ATOM 174 N ARG A 14 8.618 -2.169 -5.278 1.00 0.00 N ATOM 175 CA ARG A 14 8.988 -3.038 -4.168 1.00 0.00 C ATOM 176 C ARG A 14 9.236 -2.225 -2.900 1.00 0.00 C ATOM 177 O ARG A 14 8.852 -2.634 -1.805 1.00 0.00 O ATOM 178 CB ARG A 14 10.237 -3.847 -4.520 1.00 0.00 C ATOM 179 CG ARG A 14 10.375 -5.133 -3.721 1.00 0.00 C ATOM 180 CD ARG A 14 9.499 -6.239 -4.290 1.00 0.00 C ATOM 181 NE ARG A 14 10.160 -6.956 -5.377 1.00 0.00 N ATOM 182 CZ ARG A 14 11.033 -7.939 -5.185 1.00 0.00 C ATOM 183 NH1 ARG A 14 11.348 -8.320 -3.954 1.00 0.00 N ATOM 184 NH2 ARG A 14 11.592 -8.544 -6.225 1.00 0.00 N ATOM 0 H ARG A 14 9.005 -2.448 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 14 8.160 -3.723 -3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.215 -4.090 -5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.119 -3.229 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.417 -5.454 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.101 -4.948 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.241 -6.941 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.565 -5.811 -4.653 1.00 0.00 H new ATOM 0 HE ARG A 14 9.939 -6.687 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.920 -7.858 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.019 -9.075 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.352 -8.255 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.262 -9.299 -6.076 1.00 0.00 H new ATOM 198 N GLU A 15 9.880 -1.073 -3.059 1.00 0.00 N ATOM 199 CA GLU A 15 10.180 -0.205 -1.927 1.00 0.00 C ATOM 200 C GLU A 15 8.903 0.403 -1.353 1.00 0.00 C ATOM 201 O GLU A 15 8.672 0.360 -0.146 1.00 0.00 O ATOM 202 CB GLU A 15 11.141 0.908 -2.350 1.00 0.00 C ATOM 203 CG GLU A 15 12.586 0.452 -2.469 1.00 0.00 C ATOM 204 CD GLU A 15 13.448 1.439 -3.231 1.00 0.00 C ATOM 205 OE1 GLU A 15 14.004 2.358 -2.594 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.568 1.291 -4.466 1.00 0.00 O ATOM 0 H GLU A 15 10.203 -0.720 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 15 10.653 -0.811 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.816 1.312 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.084 1.721 -1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.001 0.308 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.618 -0.515 -2.971 1.00 0.00 H new ATOM 213 N GLU A 16 8.078 0.967 -2.230 1.00 0.00 N ATOM 214 CA GLU A 16 6.825 1.584 -1.810 1.00 0.00 C ATOM 215 C GLU A 16 5.984 0.608 -0.993 1.00 0.00 C ATOM 216 O GLU A 16 5.307 1.001 -0.044 1.00 0.00 O ATOM 217 CB GLU A 16 6.032 2.060 -3.029 1.00 0.00 C ATOM 218 CG GLU A 16 6.647 3.264 -3.724 1.00 0.00 C ATOM 219 CD GLU A 16 5.962 3.594 -5.035 1.00 0.00 C ATOM 220 OE1 GLU A 16 4.728 3.418 -5.122 1.00 0.00 O ATOM 221 OE2 GLU A 16 6.660 4.028 -5.976 1.00 0.00 O ATOM 0 H GLU A 16 8.254 1.009 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 16 7.065 2.443 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.953 1.240 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.018 2.310 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.592 4.128 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.704 3.071 -3.909 1.00 0.00 H new ATOM 228 N GLU A 17 6.034 -0.666 -1.369 1.00 0.00 N ATOM 229 CA GLU A 17 5.276 -1.698 -0.672 1.00 0.00 C ATOM 230 C GLU A 17 5.866 -1.967 0.710 1.00 0.00 C ATOM 231 O GLU A 17 5.234 -1.692 1.729 1.00 0.00 O ATOM 232 CB GLU A 17 5.259 -2.991 -1.491 1.00 0.00 C ATOM 233 CG GLU A 17 4.459 -2.885 -2.778 1.00 0.00 C ATOM 234 CD GLU A 17 4.296 -4.222 -3.475 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.069 -5.232 -2.777 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.395 -4.257 -4.720 1.00 0.00 O ATOM 0 H GLU A 17 6.591 -1.008 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 17 4.254 -1.341 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.284 -3.272 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.844 -3.793 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.475 -2.472 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.953 -2.186 -3.452 1.00 0.00 H new ATOM 243 N GLU A 18 7.082 -2.505 0.734 1.00 0.00 N ATOM 244 CA GLU A 18 7.756 -2.812 1.990 1.00 0.00 C ATOM 245 C GLU A 18 7.470 -1.739 3.037 1.00 0.00 C ATOM 246 O GLU A 18 6.995 -2.036 4.133 1.00 0.00 O ATOM 247 CB GLU A 18 9.265 -2.933 1.767 1.00 0.00 C ATOM 248 CG GLU A 18 9.664 -4.156 0.959 1.00 0.00 C ATOM 249 CD GLU A 18 9.800 -5.402 1.813 1.00 0.00 C ATOM 250 OE1 GLU A 18 10.823 -5.531 2.517 1.00 0.00 O ATOM 251 OE2 GLU A 18 8.882 -6.248 1.777 1.00 0.00 O ATOM 0 H GLU A 18 7.620 -2.737 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 18 7.372 -3.764 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.621 -2.038 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.765 -2.968 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.920 -4.332 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.611 -3.961 0.455 1.00 0.00 H new ATOM 258 N LYS A 19 7.764 -0.490 2.691 1.00 0.00 N ATOM 259 CA LYS A 19 7.538 0.628 3.599 1.00 0.00 C ATOM 260 C LYS A 19 6.063 0.741 3.968 1.00 0.00 C ATOM 261 O LYS A 19 5.720 1.085 5.100 1.00 0.00 O ATOM 262 CB LYS A 19 8.017 1.934 2.960 1.00 0.00 C ATOM 263 CG LYS A 19 6.944 2.646 2.154 1.00 0.00 C ATOM 264 CD LYS A 19 7.550 3.515 1.065 1.00 0.00 C ATOM 265 CE LYS A 19 8.232 4.744 1.648 1.00 0.00 C ATOM 266 NZ LYS A 19 9.333 5.233 0.773 1.00 0.00 N ATOM 0 H LYS A 19 8.159 -0.227 1.788 1.00 0.00 H new ATOM 0 HA LYS A 19 8.108 0.445 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.375 2.602 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.866 1.721 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.277 1.910 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.338 3.263 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.273 2.933 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.770 3.826 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.497 5.537 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.630 4.505 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.773 6.071 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.047 4.485 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.949 5.485 -0.160 1.00 0.00 H new ATOM 280 N LEU A 20 5.193 0.448 3.007 1.00 0.00 N ATOM 281 CA LEU A 20 3.754 0.515 3.231 1.00 0.00 C ATOM 282 C LEU A 20 3.329 -0.450 4.334 1.00 0.00 C ATOM 283 O LEU A 20 2.668 -0.057 5.296 1.00 0.00 O ATOM 284 CB LEU A 20 3.001 0.194 1.939 1.00 0.00 C ATOM 285 CG LEU A 20 1.482 0.367 1.986 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.119 1.756 2.487 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.874 0.117 0.614 1.00 0.00 C ATOM 0 H LEU A 20 5.460 0.162 2.065 1.00 0.00 H new ATOM 0 HA LEU A 20 3.507 1.529 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.394 0.829 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.221 -0.837 1.661 1.00 0.00 H new ATOM 0 HG LEU A 20 1.073 -0.366 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.034 1.861 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.522 1.898 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.540 2.506 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.207 0.244 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.289 0.826 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.104 -0.899 0.294 1.00 0.00 H new ATOM 299 N LEU A 21 3.714 -1.713 4.188 1.00 0.00 N ATOM 300 CA LEU A 21 3.375 -2.734 5.173 1.00 0.00 C ATOM 301 C LEU A 21 3.855 -2.330 6.563 1.00 0.00 C ATOM 302 O LEU A 21 3.202 -2.623 7.566 1.00 0.00 O ATOM 303 CB LEU A 21 3.993 -4.076 4.778 1.00 0.00 C ATOM 304 CG LEU A 21 3.381 -4.764 3.556 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.270 -5.712 3.978 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.857 -3.730 2.570 1.00 0.00 C ATOM 0 H LEU A 21 4.261 -2.054 3.398 1.00 0.00 H new ATOM 0 HA LEU A 21 2.290 -2.834 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.055 -3.922 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.915 -4.753 5.628 1.00 0.00 H new ATOM 0 HG LEU A 21 4.159 -5.346 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.847 -6.192 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.675 -6.472 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.491 -5.152 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.425 -4.236 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.093 -3.121 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.677 -3.091 2.243 1.00 0.00 H new ATOM 318 N HIS A 22 4.998 -1.655 6.616 1.00 0.00 N ATOM 319 CA HIS A 22 5.564 -1.208 7.884 1.00 0.00 C ATOM 320 C HIS A 22 4.720 -0.093 8.493 1.00 0.00 C ATOM 321 O HIS A 22 4.141 -0.255 9.568 1.00 0.00 O ATOM 322 CB HIS A 22 7.001 -0.724 7.684 1.00 0.00 C ATOM 323 CG HIS A 22 7.724 -0.447 8.965 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.203 -1.442 9.790 1.00 0.00 N ATOM 325 CD2 HIS A 22 8.051 0.724 9.562 1.00 0.00 C ATOM 326 CE1 HIS A 22 8.791 -0.897 10.840 1.00 0.00 C ATOM 327 NE2 HIS A 22 8.713 0.417 10.725 1.00 0.00 N ATOM 0 H HIS A 22 5.551 -1.405 5.796 1.00 0.00 H new ATOM 0 HA HIS A 22 5.566 -2.055 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.553 -1.476 7.120 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.989 0.183 7.080 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.832 1.715 9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.256 -1.434 11.654 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.084 1.093 11.392 1.00 0.00 H new ATOM 336 N LEU A 23 4.654 1.038 7.800 1.00 0.00 N ATOM 337 CA LEU A 23 3.881 2.182 8.272 1.00 0.00 C ATOM 338 C LEU A 23 2.437 1.781 8.559 1.00 0.00 C ATOM 339 O LEU A 23 1.931 1.993 9.661 1.00 0.00 O ATOM 340 CB LEU A 23 3.914 3.308 7.238 1.00 0.00 C ATOM 341 CG LEU A 23 5.092 4.277 7.338 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.470 4.803 5.962 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.757 5.428 8.277 1.00 0.00 C ATOM 0 H LEU A 23 5.127 1.188 6.909 1.00 0.00 H new ATOM 0 HA LEU A 23 4.332 2.537 9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.921 2.861 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.990 3.880 7.324 1.00 0.00 H new ATOM 0 HG LEU A 23 5.947 3.738 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.310 5.491 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.752 3.969 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.619 5.326 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.607 6.108 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.888 5.965 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.536 5.035 9.270 1.00 0.00 H new ATOM 355 N ALA A 24 1.780 1.200 7.560 1.00 0.00 N ATOM 356 CA ALA A 24 0.396 0.766 7.707 1.00 0.00 C ATOM 357 C ALA A 24 0.183 0.052 9.037 1.00 0.00 C ATOM 358 O ALA A 24 -0.796 0.305 9.739 1.00 0.00 O ATOM 359 CB ALA A 24 0.002 -0.140 6.550 1.00 0.00 C ATOM 0 H ALA A 24 2.184 1.019 6.641 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.240 1.651 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.034 -0.457 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.107 0.403 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.650 -1.016 6.537 1.00 0.00 H new ATOM 365 N LYS A 25 1.104 -0.843 9.378 1.00 0.00 N ATOM 366 CA LYS A 25 1.018 -1.594 10.624 1.00 0.00 C ATOM 367 C LYS A 25 1.307 -0.695 11.822 1.00 0.00 C ATOM 368 O LYS A 25 0.668 -0.814 12.869 1.00 0.00 O ATOM 369 CB LYS A 25 1.999 -2.768 10.605 1.00 0.00 C ATOM 370 CG LYS A 25 1.978 -3.600 11.876 1.00 0.00 C ATOM 371 CD LYS A 25 3.338 -4.210 12.166 1.00 0.00 C ATOM 372 CE LYS A 25 4.175 -3.309 13.061 1.00 0.00 C ATOM 373 NZ LYS A 25 4.545 -2.039 12.378 1.00 0.00 N ATOM 0 H LYS A 25 1.920 -1.066 8.808 1.00 0.00 H new ATOM 0 HA LYS A 25 0.003 -1.979 10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.766 -3.411 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.007 -2.385 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.672 -2.976 12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.236 -4.392 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.208 -5.180 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.866 -4.385 11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.619 -3.083 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.080 -3.836 13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.415 -1.658 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.704 -2.222 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.775 -1.349 12.488 1.00 0.00 H new ATOM 387 N LEU A 26 2.272 0.204 11.662 1.00 0.00 N ATOM 388 CA LEU A 26 2.645 1.124 12.731 1.00 0.00 C ATOM 389 C LEU A 26 1.462 2.001 13.132 1.00 0.00 C ATOM 390 O LEU A 26 1.089 2.059 14.303 1.00 0.00 O ATOM 391 CB LEU A 26 3.817 2.001 12.289 1.00 0.00 C ATOM 392 CG LEU A 26 5.155 1.285 12.095 1.00 0.00 C ATOM 393 CD1 LEU A 26 6.001 2.007 11.058 1.00 0.00 C ATOM 394 CD2 LEU A 26 5.901 1.182 13.417 1.00 0.00 C ATOM 0 H LEU A 26 2.810 0.315 10.803 1.00 0.00 H new ATOM 0 HA LEU A 26 2.946 0.534 13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.548 2.487 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.954 2.790 13.029 1.00 0.00 H new ATOM 0 HG LEU A 26 4.957 0.276 11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.949 1.483 10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.470 2.028 10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.191 3.028 11.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.850 0.670 13.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.088 2.182 13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.299 0.620 14.131 1.00 0.00 H new ATOM 406 N MET A 27 0.876 2.679 12.151 1.00 0.00 N ATOM 407 CA MET A 27 -0.267 3.550 12.402 1.00 0.00 C ATOM 408 C MET A 27 -1.354 3.335 11.354 1.00 0.00 C ATOM 409 O MET A 27 -1.454 4.066 10.368 1.00 0.00 O ATOM 410 CB MET A 27 0.173 5.015 12.404 1.00 0.00 C ATOM 411 CG MET A 27 1.505 5.249 13.098 1.00 0.00 C ATOM 412 SD MET A 27 2.072 6.955 12.956 1.00 0.00 S ATOM 413 CE MET A 27 2.883 6.910 11.360 1.00 0.00 C ATOM 0 H MET A 27 1.173 2.642 11.176 1.00 0.00 H new ATOM 0 HA MET A 27 -0.676 3.299 13.381 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.242 5.366 11.374 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.593 5.615 12.895 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.412 4.988 14.152 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.255 4.584 12.670 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.287 7.896 11.129 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.694 6.182 11.384 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.162 6.625 10.594 1.00 0.00 H new ATOM 423 N PRO A 28 -2.190 2.308 11.569 1.00 0.00 N ATOM 424 CA PRO A 28 -3.285 1.973 10.654 1.00 0.00 C ATOM 425 C PRO A 28 -4.400 3.013 10.679 1.00 0.00 C ATOM 426 O PRO A 28 -5.317 2.977 9.858 1.00 0.00 O ATOM 427 CB PRO A 28 -3.794 0.631 11.185 1.00 0.00 C ATOM 428 CG PRO A 28 -3.420 0.628 12.627 1.00 0.00 C ATOM 429 CD PRO A 28 -2.130 1.394 12.722 1.00 0.00 C ATOM 0 HA PRO A 28 -2.952 1.938 9.617 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.872 0.537 11.055 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.335 -0.204 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.197 1.095 13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.297 -0.390 12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.055 1.939 13.663 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.265 0.733 12.666 1.00 0.00 H new ATOM 437 N THR A 29 -4.316 3.941 11.628 1.00 0.00 N ATOM 438 CA THR A 29 -5.318 4.991 11.761 1.00 0.00 C ATOM 439 C THR A 29 -4.699 6.370 11.568 1.00 0.00 C ATOM 440 O THR A 29 -5.263 7.378 11.991 1.00 0.00 O ATOM 441 CB THR A 29 -6.007 4.938 13.138 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.031 5.050 14.179 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.787 3.643 13.303 1.00 0.00 C ATOM 0 H THR A 29 -3.564 3.986 12.316 1.00 0.00 H new ATOM 0 HA THR A 29 -6.062 4.818 10.983 1.00 0.00 H new ATOM 0 HB THR A 29 -6.704 5.774 13.204 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.477 5.017 15.051 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.265 3.628 14.283 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.549 3.576 12.527 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.107 2.795 13.218 1.00 0.00 H new ATOM 451 N GLN A 30 -3.535 6.406 10.926 1.00 0.00 N ATOM 452 CA GLN A 30 -2.840 7.663 10.677 1.00 0.00 C ATOM 453 C GLN A 30 -2.413 7.770 9.217 1.00 0.00 C ATOM 454 O GLN A 30 -1.319 8.244 8.913 1.00 0.00 O ATOM 455 CB GLN A 30 -1.617 7.783 11.588 1.00 0.00 C ATOM 456 CG GLN A 30 -1.965 7.902 13.063 1.00 0.00 C ATOM 457 CD GLN A 30 -3.030 8.947 13.328 1.00 0.00 C ATOM 458 OE1 GLN A 30 -2.881 10.111 12.954 1.00 0.00 O ATOM 459 NE2 GLN A 30 -4.114 8.538 13.977 1.00 0.00 N ATOM 0 H GLN A 30 -3.054 5.580 10.570 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.529 8.479 10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.980 6.911 11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.036 8.655 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.310 6.936 13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.066 8.154 13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.197 7.564 14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.864 9.198 14.184 1.00 0.00 H new ATOM 468 N TRP A 31 -3.284 7.326 8.318 1.00 0.00 N ATOM 469 CA TRP A 31 -2.997 7.371 6.888 1.00 0.00 C ATOM 470 C TRP A 31 -2.589 8.776 6.459 1.00 0.00 C ATOM 471 O TRP A 31 -1.709 8.946 5.615 1.00 0.00 O ATOM 472 CB TRP A 31 -4.217 6.914 6.087 1.00 0.00 C ATOM 473 CG TRP A 31 -4.718 5.560 6.489 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.791 5.287 7.290 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.166 4.294 6.111 1.00 0.00 C ATOM 476 NE1 TRP A 31 -5.938 3.928 7.432 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.954 3.297 6.718 1.00 0.00 C ATOM 478 CE3 TRP A 31 -3.083 3.906 5.318 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.691 1.940 6.556 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.823 2.559 5.158 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.625 1.588 5.773 1.00 0.00 C ATOM 0 H TRP A 31 -4.194 6.931 8.553 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.166 6.694 6.688 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.018 7.642 6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -3.962 6.899 5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.430 6.030 7.745 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.662 3.464 7.980 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.460 4.647 4.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.307 1.191 7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.987 2.249 4.548 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.398 0.542 5.626 1.00 0.00 H new ATOM 492 N ARG A 32 -3.233 9.779 7.046 1.00 0.00 N ATOM 493 CA ARG A 32 -2.937 11.170 6.722 1.00 0.00 C ATOM 494 C ARG A 32 -1.474 11.496 7.012 1.00 0.00 C ATOM 495 O ARG A 32 -0.934 12.480 6.506 1.00 0.00 O ATOM 496 CB ARG A 32 -3.846 12.106 7.520 1.00 0.00 C ATOM 497 CG ARG A 32 -5.212 12.314 6.887 1.00 0.00 C ATOM 498 CD ARG A 32 -6.079 13.242 7.724 1.00 0.00 C ATOM 499 NE ARG A 32 -5.452 14.547 7.919 1.00 0.00 N ATOM 500 CZ ARG A 32 -6.133 15.657 8.184 1.00 0.00 C ATOM 501 NH1 ARG A 32 -7.454 15.620 8.285 1.00 0.00 N ATOM 502 NH2 ARG A 32 -5.491 16.807 8.349 1.00 0.00 N ATOM 0 H ARG A 32 -3.963 9.655 7.748 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.121 11.316 5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.978 11.702 8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.354 13.073 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.091 12.731 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.712 11.352 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.045 13.373 7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.270 12.783 8.694 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.436 14.610 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.951 14.738 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.974 16.474 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.474 16.839 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.014 17.659 8.552 1.00 0.00 H new ATOM 516 N THR A 33 -0.838 10.662 7.829 1.00 0.00 N ATOM 517 CA THR A 33 0.561 10.862 8.187 1.00 0.00 C ATOM 518 C THR A 33 1.477 10.001 7.324 1.00 0.00 C ATOM 519 O THR A 33 2.594 10.404 6.996 1.00 0.00 O ATOM 520 CB THR A 33 0.813 10.533 9.670 1.00 0.00 C ATOM 521 OG1 THR A 33 -0.058 11.311 10.499 1.00 0.00 O ATOM 522 CG2 THR A 33 2.261 10.810 10.047 1.00 0.00 C ATOM 0 H THR A 33 -1.269 9.842 8.255 1.00 0.00 H new ATOM 0 HA THR A 33 0.785 11.914 8.013 1.00 0.00 H new ATOM 0 HB THR A 33 0.610 9.473 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.107 11.095 11.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.415 10.570 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.920 10.195 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.486 11.863 9.878 1.00 0.00 H new ATOM 530 N ILE A 34 0.998 8.817 6.960 1.00 0.00 N ATOM 531 CA ILE A 34 1.775 7.901 6.133 1.00 0.00 C ATOM 532 C ILE A 34 1.797 8.357 4.678 1.00 0.00 C ATOM 533 O ILE A 34 2.743 8.076 3.944 1.00 0.00 O ATOM 534 CB ILE A 34 1.215 6.468 6.202 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.311 5.927 7.630 1.00 0.00 C ATOM 536 CG2 ILE A 34 1.960 5.561 5.234 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.608 4.602 7.822 1.00 0.00 C ATOM 0 H ILE A 34 0.076 8.469 7.224 1.00 0.00 H new ATOM 0 HA ILE A 34 2.791 7.905 6.527 1.00 0.00 H new ATOM 0 HB ILE A 34 0.164 6.490 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.362 5.814 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.884 6.658 8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.553 4.552 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.844 5.939 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.018 5.541 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.717 4.279 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.450 4.714 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.050 3.857 7.161 1.00 0.00 H new ATOM 549 N ALA A 35 0.749 9.064 4.270 1.00 0.00 N ATOM 550 CA ALA A 35 0.649 9.563 2.904 1.00 0.00 C ATOM 551 C ALA A 35 1.858 10.421 2.544 1.00 0.00 C ATOM 552 O ALA A 35 2.591 10.136 1.597 1.00 0.00 O ATOM 553 CB ALA A 35 -0.636 10.358 2.724 1.00 0.00 C ATOM 0 H ALA A 35 -0.043 9.304 4.866 1.00 0.00 H new ATOM 0 HA ALA A 35 0.630 8.706 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.697 10.724 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.493 9.717 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.640 11.203 3.412 1.00 0.00 H new ATOM 559 N PRO A 36 2.071 11.498 3.314 1.00 0.00 N ATOM 560 CA PRO A 36 3.190 12.419 3.095 1.00 0.00 C ATOM 561 C PRO A 36 4.536 11.787 3.434 1.00 0.00 C ATOM 562 O PRO A 36 5.589 12.337 3.111 1.00 0.00 O ATOM 563 CB PRO A 36 2.888 13.578 4.048 1.00 0.00 C ATOM 564 CG PRO A 36 2.051 12.975 5.123 1.00 0.00 C ATOM 565 CD PRO A 36 1.237 11.898 4.460 1.00 0.00 C ATOM 0 HA PRO A 36 3.272 12.719 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.805 14.007 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.358 14.382 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.674 12.561 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.406 13.724 5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.052 11.062 5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.264 12.270 4.139 1.00 0.00 H new ATOM 573 N ILE A 37 4.494 10.630 4.087 1.00 0.00 N ATOM 574 CA ILE A 37 5.711 9.924 4.468 1.00 0.00 C ATOM 575 C ILE A 37 6.127 8.926 3.392 1.00 0.00 C ATOM 576 O ILE A 37 7.272 8.475 3.360 1.00 0.00 O ATOM 577 CB ILE A 37 5.534 9.179 5.804 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.406 10.176 6.956 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.702 8.233 6.041 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.926 9.550 8.247 1.00 0.00 C ATOM 0 H ILE A 37 3.631 10.162 4.363 1.00 0.00 H new ATOM 0 HA ILE A 37 6.491 10.677 4.582 1.00 0.00 H new ATOM 0 HB ILE A 37 4.618 8.590 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.374 10.646 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.714 10.967 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.563 7.714 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.750 7.504 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.631 8.802 6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.859 10.316 9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.944 9.104 8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.629 8.779 8.561 1.00 0.00 H new ATOM 592 N ILE A 38 5.189 8.586 2.514 1.00 0.00 N ATOM 593 CA ILE A 38 5.460 7.644 1.435 1.00 0.00 C ATOM 594 C ILE A 38 5.459 8.344 0.081 1.00 0.00 C ATOM 595 O ILE A 38 6.189 7.956 -0.831 1.00 0.00 O ATOM 596 CB ILE A 38 4.425 6.504 1.411 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.559 5.638 2.666 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.595 5.660 0.157 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.709 4.387 2.630 1.00 0.00 C ATOM 0 H ILE A 38 4.236 8.948 2.529 1.00 0.00 H new ATOM 0 HA ILE A 38 6.448 7.224 1.623 1.00 0.00 H new ATOM 0 HB ILE A 38 3.426 6.940 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.604 5.354 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.282 6.231 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.856 4.859 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.454 6.286 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.597 5.230 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.854 3.822 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.659 4.663 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.001 3.773 1.778 1.00 0.00 H new ATOM 611 N GLY A 39 4.636 9.381 -0.044 1.00 0.00 N ATOM 612 CA GLY A 39 4.558 10.121 -1.290 1.00 0.00 C ATOM 613 C GLY A 39 3.166 10.098 -1.891 1.00 0.00 C ATOM 614 O GLY A 39 2.779 11.018 -2.612 1.00 0.00 O ATOM 0 H GLY A 39 4.022 9.722 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.858 11.154 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.266 9.700 -2.004 1.00 0.00 H new ATOM 618 N ARG A 40 2.413 9.043 -1.595 1.00 0.00 N ATOM 619 CA ARG A 40 1.058 8.903 -2.114 1.00 0.00 C ATOM 620 C ARG A 40 0.038 9.475 -1.133 1.00 0.00 C ATOM 621 O ARG A 40 0.388 9.888 -0.027 1.00 0.00 O ATOM 622 CB ARG A 40 0.745 7.432 -2.392 1.00 0.00 C ATOM 623 CG ARG A 40 1.294 6.932 -3.718 1.00 0.00 C ATOM 624 CD ARG A 40 2.699 6.369 -3.562 1.00 0.00 C ATOM 625 NE ARG A 40 3.722 7.393 -3.755 1.00 0.00 N ATOM 626 CZ ARG A 40 4.190 7.750 -4.946 1.00 0.00 C ATOM 627 NH1 ARG A 40 3.727 7.169 -6.045 1.00 0.00 N ATOM 628 NH2 ARG A 40 5.122 8.689 -5.040 1.00 0.00 N ATOM 0 H ARG A 40 2.718 8.274 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 40 0.993 9.464 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.155 6.824 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.336 7.291 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.635 6.162 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.306 7.749 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.806 5.932 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.850 5.565 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 40 4.098 7.860 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.010 6.447 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.088 7.445 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.480 9.138 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.480 8.962 -5.955 1.00 0.00 H new ATOM 642 N THR A 41 -1.225 9.497 -1.546 1.00 0.00 N ATOM 643 CA THR A 41 -2.295 10.019 -0.706 1.00 0.00 C ATOM 644 C THR A 41 -2.848 8.938 0.216 1.00 0.00 C ATOM 645 O THR A 41 -2.743 7.747 -0.076 1.00 0.00 O ATOM 646 CB THR A 41 -3.447 10.592 -1.553 1.00 0.00 C ATOM 647 OG1 THR A 41 -4.119 9.534 -2.246 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.925 11.611 -2.556 1.00 0.00 C ATOM 0 H THR A 41 -1.532 9.159 -2.458 1.00 0.00 H new ATOM 0 HA THR A 41 -1.862 10.819 -0.106 1.00 0.00 H new ATOM 0 HB THR A 41 -4.149 11.090 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.851 9.906 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.756 12.002 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.439 12.429 -2.024 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.205 11.132 -3.220 1.00 0.00 H new ATOM 656 N ALA A 42 -3.436 9.361 1.330 1.00 0.00 N ATOM 657 CA ALA A 42 -4.007 8.428 2.294 1.00 0.00 C ATOM 658 C ALA A 42 -4.849 7.365 1.596 1.00 0.00 C ATOM 659 O ALA A 42 -4.651 6.168 1.805 1.00 0.00 O ATOM 660 CB ALA A 42 -4.845 9.177 3.320 1.00 0.00 C ATOM 0 H ALA A 42 -3.530 10.344 1.587 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.187 7.926 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.265 8.468 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.217 9.895 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.653 9.705 2.814 1.00 0.00 H new ATOM 666 N ALA A 43 -5.788 7.810 0.767 1.00 0.00 N ATOM 667 CA ALA A 43 -6.658 6.896 0.038 1.00 0.00 C ATOM 668 C ALA A 43 -5.847 5.828 -0.689 1.00 0.00 C ATOM 669 O ALA A 43 -6.221 4.656 -0.703 1.00 0.00 O ATOM 670 CB ALA A 43 -7.525 7.666 -0.947 1.00 0.00 C ATOM 0 H ALA A 43 -5.965 8.798 0.584 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.304 6.395 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.170 6.971 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.139 8.386 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.888 8.193 -1.657 1.00 0.00 H new ATOM 676 N GLN A 44 -4.738 6.243 -1.292 1.00 0.00 N ATOM 677 CA GLN A 44 -3.876 5.322 -2.022 1.00 0.00 C ATOM 678 C GLN A 44 -3.272 4.281 -1.084 1.00 0.00 C ATOM 679 O GLN A 44 -3.493 3.081 -1.249 1.00 0.00 O ATOM 680 CB GLN A 44 -2.762 6.089 -2.736 1.00 0.00 C ATOM 681 CG GLN A 44 -3.272 7.188 -3.654 1.00 0.00 C ATOM 682 CD GLN A 44 -3.466 6.713 -5.081 1.00 0.00 C ATOM 683 OE1 GLN A 44 -3.833 5.562 -5.320 1.00 0.00 O ATOM 684 NE2 GLN A 44 -3.221 7.600 -6.039 1.00 0.00 N ATOM 0 H GLN A 44 -4.416 7.211 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.485 4.806 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.099 6.528 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.165 5.388 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.219 7.567 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.568 8.020 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.919 8.543 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.335 7.338 -7.018 1.00 0.00 H new ATOM 693 N CYS A 45 -2.511 4.749 -0.102 1.00 0.00 N ATOM 694 CA CYS A 45 -1.874 3.859 0.862 1.00 0.00 C ATOM 695 C CYS A 45 -2.852 2.792 1.346 1.00 0.00 C ATOM 696 O CYS A 45 -2.523 1.606 1.386 1.00 0.00 O ATOM 697 CB CYS A 45 -1.343 4.658 2.053 1.00 0.00 C ATOM 698 SG CYS A 45 0.071 5.715 1.661 1.00 0.00 S ATOM 0 H CYS A 45 -2.320 5.740 0.048 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.040 3.364 0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.148 5.278 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.056 3.964 2.843 1.00 0.00 H new ATOM 0 HG CYS A 45 0.314 6.505 2.664 1.00 0.00 H new ATOM 704 N LEU A 46 -4.053 3.222 1.713 1.00 0.00 N ATOM 705 CA LEU A 46 -5.080 2.304 2.196 1.00 0.00 C ATOM 706 C LEU A 46 -5.496 1.329 1.100 1.00 0.00 C ATOM 707 O LEU A 46 -5.469 0.114 1.295 1.00 0.00 O ATOM 708 CB LEU A 46 -6.299 3.085 2.690 1.00 0.00 C ATOM 709 CG LEU A 46 -7.522 2.250 3.068 1.00 0.00 C ATOM 710 CD1 LEU A 46 -7.187 1.295 4.203 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.685 3.153 3.455 1.00 0.00 C ATOM 0 H LEU A 46 -4.341 4.200 1.686 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.662 1.733 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.002 3.672 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.592 3.791 1.913 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.818 1.661 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.070 0.709 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.385 0.626 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.865 1.865 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.547 2.542 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.399 3.769 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.942 3.796 2.613 1.00 0.00 H new ATOM 723 N GLU A 47 -5.880 1.869 -0.052 1.00 0.00 N ATOM 724 CA GLU A 47 -6.301 1.045 -1.179 1.00 0.00 C ATOM 725 C GLU A 47 -5.242 -0.002 -1.513 1.00 0.00 C ATOM 726 O GLU A 47 -5.500 -1.204 -1.448 1.00 0.00 O ATOM 727 CB GLU A 47 -6.573 1.919 -2.405 1.00 0.00 C ATOM 728 CG GLU A 47 -7.583 1.319 -3.369 1.00 0.00 C ATOM 729 CD GLU A 47 -9.013 1.473 -2.886 1.00 0.00 C ATOM 730 OE1 GLU A 47 -9.218 1.555 -1.657 1.00 0.00 O ATOM 731 OE2 GLU A 47 -9.926 1.511 -3.737 1.00 0.00 O ATOM 0 H GLU A 47 -5.908 2.873 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.220 0.531 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.934 2.893 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.635 2.090 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.479 1.797 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.362 0.261 -3.508 1.00 0.00 H new ATOM 738 N HIS A 48 -4.050 0.464 -1.870 1.00 0.00 N ATOM 739 CA HIS A 48 -2.951 -0.432 -2.214 1.00 0.00 C ATOM 740 C HIS A 48 -2.664 -1.403 -1.073 1.00 0.00 C ATOM 741 O HIS A 48 -2.637 -2.618 -1.270 1.00 0.00 O ATOM 742 CB HIS A 48 -1.693 0.372 -2.543 1.00 0.00 C ATOM 743 CG HIS A 48 -0.629 -0.432 -3.224 1.00 0.00 C ATOM 744 ND1 HIS A 48 -0.819 -1.060 -4.437 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.644 -0.708 -2.855 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.290 -1.688 -4.783 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.193 -1.491 -3.841 1.00 0.00 N ATOM 0 H HIS A 48 -3.820 1.456 -1.929 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.245 -1.007 -3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.966 1.213 -3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.287 0.790 -1.621 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.681 -1.042 -4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.136 -0.375 -1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.434 -2.265 -5.684 1.00 0.00 H new ATOM 756 N TYR A 49 -2.450 -0.860 0.120 1.00 0.00 N ATOM 757 CA TYR A 49 -2.161 -1.677 1.292 1.00 0.00 C ATOM 758 C TYR A 49 -3.114 -2.866 1.374 1.00 0.00 C ATOM 759 O TYR A 49 -2.707 -4.014 1.193 1.00 0.00 O ATOM 760 CB TYR A 49 -2.267 -0.836 2.565 1.00 0.00 C ATOM 761 CG TYR A 49 -2.230 -1.655 3.836 1.00 0.00 C ATOM 762 CD1 TYR A 49 -1.137 -2.457 4.138 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.289 -1.626 4.735 1.00 0.00 C ATOM 764 CE1 TYR A 49 -1.099 -3.207 5.297 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.260 -2.372 5.898 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.163 -3.161 6.174 1.00 0.00 C ATOM 767 OH TYR A 49 -2.130 -3.906 7.331 1.00 0.00 O ATOM 0 H TYR A 49 -2.471 0.144 0.301 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.143 -2.055 1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.450 -0.115 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.195 -0.265 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.302 -2.495 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.150 -1.010 4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.241 -3.826 5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.091 -2.337 6.587 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.956 -3.760 7.838 1.00 0.00 H new ATOM 777 N GLU A 50 -4.383 -2.582 1.648 1.00 0.00 N ATOM 778 CA GLU A 50 -5.394 -3.627 1.754 1.00 0.00 C ATOM 779 C GLU A 50 -5.263 -4.629 0.610 1.00 0.00 C ATOM 780 O GLU A 50 -5.312 -5.841 0.823 1.00 0.00 O ATOM 781 CB GLU A 50 -6.796 -3.014 1.753 1.00 0.00 C ATOM 782 CG GLU A 50 -7.154 -2.311 3.051 1.00 0.00 C ATOM 783 CD GLU A 50 -7.815 -3.237 4.053 1.00 0.00 C ATOM 784 OE1 GLU A 50 -8.486 -4.198 3.620 1.00 0.00 O ATOM 785 OE2 GLU A 50 -7.662 -3.002 5.270 1.00 0.00 O ATOM 0 H GLU A 50 -4.735 -1.637 1.801 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.237 -4.154 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.871 -2.302 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.527 -3.800 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.251 -1.889 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.823 -1.478 2.836 1.00 0.00 H new ATOM 792 N PHE A 51 -5.098 -4.113 -0.603 1.00 0.00 N ATOM 793 CA PHE A 51 -4.962 -4.961 -1.782 1.00 0.00 C ATOM 794 C PHE A 51 -3.808 -5.946 -1.613 1.00 0.00 C ATOM 795 O PHE A 51 -3.859 -7.070 -2.113 1.00 0.00 O ATOM 796 CB PHE A 51 -4.737 -4.104 -3.030 1.00 0.00 C ATOM 797 CG PHE A 51 -4.106 -4.855 -4.167 1.00 0.00 C ATOM 798 CD1 PHE A 51 -4.887 -5.570 -5.061 1.00 0.00 C ATOM 799 CD2 PHE A 51 -2.732 -4.847 -4.342 1.00 0.00 C ATOM 800 CE1 PHE A 51 -4.309 -6.262 -6.109 1.00 0.00 C ATOM 801 CE2 PHE A 51 -2.148 -5.536 -5.388 1.00 0.00 C ATOM 802 CZ PHE A 51 -2.938 -6.245 -6.272 1.00 0.00 C ATOM 0 H PHE A 51 -5.055 -3.112 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.886 -5.527 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.693 -3.698 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.104 -3.256 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.960 -5.587 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.110 -4.296 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.929 -6.815 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.076 -5.520 -5.514 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.484 -6.785 -7.089 1.00 0.00 H new ATOM 812 N LEU A 52 -2.769 -5.515 -0.907 1.00 0.00 N ATOM 813 CA LEU A 52 -1.602 -6.358 -0.672 1.00 0.00 C ATOM 814 C LEU A 52 -1.955 -7.539 0.226 1.00 0.00 C ATOM 815 O LEU A 52 -1.502 -8.662 -0.001 1.00 0.00 O ATOM 816 CB LEU A 52 -0.477 -5.538 -0.037 1.00 0.00 C ATOM 817 CG LEU A 52 0.037 -4.355 -0.857 1.00 0.00 C ATOM 818 CD1 LEU A 52 0.787 -3.374 0.032 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.929 -4.839 -1.991 1.00 0.00 C ATOM 0 H LEU A 52 -2.711 -4.587 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.264 -6.745 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.827 -5.163 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.361 -6.205 0.166 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.820 -3.839 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.145 -2.539 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.118 -3.002 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.635 -3.878 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.286 -3.983 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.781 -5.380 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.360 -5.501 -2.644 1.00 0.00 H new ATOM 831 N LEU A 53 -2.767 -7.280 1.244 1.00 0.00 N ATOM 832 CA LEU A 53 -3.184 -8.323 2.176 1.00 0.00 C ATOM 833 C LEU A 53 -3.916 -9.444 1.446 1.00 0.00 C ATOM 834 O LEU A 53 -3.594 -10.620 1.612 1.00 0.00 O ATOM 835 CB LEU A 53 -4.084 -7.733 3.263 1.00 0.00 C ATOM 836 CG LEU A 53 -3.386 -6.881 4.323 1.00 0.00 C ATOM 837 CD1 LEU A 53 -2.458 -7.738 5.171 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.616 -5.742 3.671 1.00 0.00 C ATOM 0 H LEU A 53 -3.150 -6.357 1.446 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.290 -8.740 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.849 -7.124 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.598 -8.552 3.765 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.147 -6.452 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.970 -7.114 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.036 -8.517 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.703 -8.197 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.126 -5.146 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.865 -6.151 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.305 -5.112 3.109 1.00 0.00 H new ATOM 850 N ASP A 54 -4.901 -9.071 0.636 1.00 0.00 N ATOM 851 CA ASP A 54 -5.677 -10.045 -0.122 1.00 0.00 C ATOM 852 C ASP A 54 -4.833 -10.671 -1.228 1.00 0.00 C ATOM 853 O ASP A 54 -4.928 -11.869 -1.494 1.00 0.00 O ATOM 854 CB ASP A 54 -6.918 -9.383 -0.724 1.00 0.00 C ATOM 855 CG ASP A 54 -8.067 -10.357 -0.898 1.00 0.00 C ATOM 856 OD1 ASP A 54 -7.921 -11.311 -1.691 1.00 0.00 O ATOM 857 OD2 ASP A 54 -9.111 -10.165 -0.241 1.00 0.00 O ATOM 0 H ASP A 54 -5.181 -8.101 0.488 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.990 -10.834 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.236 -8.562 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.662 -8.951 -1.691 1.00 0.00 H new ATOM 862 N LYS A 55 -4.007 -9.852 -1.870 1.00 0.00 N ATOM 863 CA LYS A 55 -3.145 -10.323 -2.947 1.00 0.00 C ATOM 864 C LYS A 55 -2.289 -11.498 -2.484 1.00 0.00 C ATOM 865 O LYS A 55 -2.212 -12.525 -3.157 1.00 0.00 O ATOM 866 CB LYS A 55 -2.246 -9.188 -3.443 1.00 0.00 C ATOM 867 CG LYS A 55 -1.235 -9.626 -4.488 1.00 0.00 C ATOM 868 CD LYS A 55 -0.392 -8.457 -4.972 1.00 0.00 C ATOM 869 CE LYS A 55 0.725 -8.133 -3.992 1.00 0.00 C ATOM 870 NZ LYS A 55 1.682 -7.139 -4.552 1.00 0.00 N ATOM 0 H LYS A 55 -3.916 -8.857 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.781 -10.659 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.870 -8.398 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.715 -8.758 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.586 -10.395 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.756 -10.075 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.035 -8.694 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.026 -7.580 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.296 -7.744 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.260 -9.047 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.428 -6.944 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.110 -7.520 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.177 -6.257 -4.773 1.00 0.00 H new ATOM 884 N ALA A 56 -1.649 -11.339 -1.330 1.00 0.00 N ATOM 885 CA ALA A 56 -0.802 -12.388 -0.776 1.00 0.00 C ATOM 886 C ALA A 56 -1.488 -13.748 -0.857 1.00 0.00 C ATOM 887 O ALA A 56 -0.854 -14.756 -1.166 1.00 0.00 O ATOM 888 CB ALA A 56 -0.435 -12.064 0.664 1.00 0.00 C ATOM 0 H ALA A 56 -1.701 -10.494 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 56 0.111 -12.436 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.198 -12.856 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.104 -11.117 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.343 -11.987 1.262 1.00 0.00 H new ATOM 894 N ALA A 57 -2.787 -13.767 -0.576 1.00 0.00 N ATOM 895 CA ALA A 57 -3.559 -15.003 -0.619 1.00 0.00 C ATOM 896 C ALA A 57 -3.852 -15.418 -2.056 1.00 0.00 C ATOM 897 O ALA A 57 -3.608 -16.561 -2.444 1.00 0.00 O ATOM 898 CB ALA A 57 -4.855 -14.842 0.161 1.00 0.00 C ATOM 0 H ALA A 57 -3.326 -12.941 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.964 -15.790 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.422 -15.772 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.627 -14.600 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.446 -14.038 -0.277 1.00 0.00 H new ATOM 904 N GLN A 58 -4.378 -14.484 -2.842 1.00 0.00 N ATOM 905 CA GLN A 58 -4.706 -14.754 -4.236 1.00 0.00 C ATOM 906 C GLN A 58 -3.579 -15.522 -4.921 1.00 0.00 C ATOM 907 O GLN A 58 -3.825 -16.479 -5.655 1.00 0.00 O ATOM 908 CB GLN A 58 -4.974 -13.446 -4.982 1.00 0.00 C ATOM 909 CG GLN A 58 -6.111 -12.630 -4.389 1.00 0.00 C ATOM 910 CD GLN A 58 -6.204 -11.239 -4.986 1.00 0.00 C ATOM 911 OE1 GLN A 58 -6.343 -11.080 -6.199 1.00 0.00 O ATOM 912 NE2 GLN A 58 -6.128 -10.223 -4.134 1.00 0.00 N ATOM 0 H GLN A 58 -4.586 -13.533 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.607 -15.368 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.066 -12.843 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.204 -13.672 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.053 -13.155 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.972 -12.550 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.013 -10.402 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.185 -9.264 -4.477 1.00 0.00 H new ATOM 921 N ARG A 59 -2.345 -15.095 -4.676 1.00 0.00 N ATOM 922 CA ARG A 59 -1.181 -15.742 -5.271 1.00 0.00 C ATOM 923 C ARG A 59 -1.405 -17.245 -5.407 1.00 0.00 C ATOM 924 O ARG A 59 -1.120 -17.832 -6.451 1.00 0.00 O ATOM 925 CB ARG A 59 0.065 -15.475 -4.424 1.00 0.00 C ATOM 926 CG ARG A 59 1.363 -15.871 -5.109 1.00 0.00 C ATOM 927 CD ARG A 59 2.468 -16.134 -4.099 1.00 0.00 C ATOM 928 NE ARG A 59 3.748 -16.409 -4.747 1.00 0.00 N ATOM 929 CZ ARG A 59 4.562 -15.461 -5.197 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.231 -14.183 -5.070 1.00 0.00 N ATOM 931 NH2 ARG A 59 5.710 -15.790 -5.775 1.00 0.00 N ATOM 0 H ARG A 59 -2.125 -14.304 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.032 -15.323 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.104 -14.415 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.021 -16.020 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.200 -16.764 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.673 -15.079 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.572 -15.270 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.191 -16.980 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 59 4.032 -17.382 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.349 -13.926 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.858 -13.457 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.968 -16.772 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.334 -15.061 -6.120 1.00 0.00 H new ATOM 945 N ASP A 60 -1.916 -17.860 -4.347 1.00 0.00 N ATOM 946 CA ASP A 60 -2.178 -19.295 -4.348 1.00 0.00 C ATOM 947 C ASP A 60 -2.788 -19.734 -5.676 1.00 0.00 C ATOM 948 O ASP A 60 -3.961 -19.476 -5.947 1.00 0.00 O ATOM 949 CB ASP A 60 -3.113 -19.665 -3.196 1.00 0.00 C ATOM 950 CG ASP A 60 -2.983 -21.120 -2.789 1.00 0.00 C ATOM 951 OD1 ASP A 60 -3.534 -21.986 -3.500 1.00 0.00 O ATOM 952 OD2 ASP A 60 -2.330 -21.392 -1.759 1.00 0.00 O ATOM 0 H ASP A 60 -2.157 -17.388 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.228 -19.813 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.896 -19.030 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.143 -19.463 -3.489 1.00 0.00 H new ATOM 957 N SER A 61 -1.984 -20.399 -6.500 1.00 0.00 N ATOM 958 CA SER A 61 -2.443 -20.870 -7.801 1.00 0.00 C ATOM 959 C SER A 61 -1.908 -22.269 -8.092 1.00 0.00 C ATOM 960 O SER A 61 -0.973 -22.736 -7.443 1.00 0.00 O ATOM 961 CB SER A 61 -2.002 -19.904 -8.902 1.00 0.00 C ATOM 962 OG SER A 61 -2.827 -20.024 -10.047 1.00 0.00 O ATOM 0 H SER A 61 -1.012 -20.624 -6.289 1.00 0.00 H new ATOM 0 HA SER A 61 -3.532 -20.913 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.040 -18.881 -8.529 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.966 -20.106 -9.174 1.00 0.00 H new ATOM 0 HG SER A 61 -2.525 -19.395 -10.735 1.00 0.00 H new ATOM 968 N GLY A 62 -2.510 -22.933 -9.074 1.00 0.00 N ATOM 969 CA GLY A 62 -2.081 -24.272 -9.435 1.00 0.00 C ATOM 970 C GLY A 62 -1.277 -24.297 -10.720 1.00 0.00 C ATOM 971 O GLY A 62 -0.901 -23.258 -11.262 1.00 0.00 O ATOM 0 H GLY A 62 -3.286 -22.568 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.480 -24.688 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.956 -24.913 -9.545 1.00 0.00 H new ATOM 975 N PRO A 63 -1.001 -25.508 -11.226 1.00 0.00 N ATOM 976 CA PRO A 63 -0.233 -25.693 -12.460 1.00 0.00 C ATOM 977 C PRO A 63 -1.004 -25.244 -13.697 1.00 0.00 C ATOM 978 O PRO A 63 -1.785 -26.008 -14.264 1.00 0.00 O ATOM 979 CB PRO A 63 0.012 -27.204 -12.502 1.00 0.00 C ATOM 980 CG PRO A 63 -1.104 -27.791 -11.710 1.00 0.00 C ATOM 981 CD PRO A 63 -1.418 -26.789 -10.633 1.00 0.00 C ATOM 0 HA PRO A 63 0.681 -25.098 -12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.010 -27.577 -13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.980 -27.460 -12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.975 -27.974 -12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.815 -28.750 -11.279 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.479 -26.789 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.872 -27.003 -9.714 1.00 0.00 H new ATOM 989 N SER A 64 -0.780 -24.001 -14.109 1.00 0.00 N ATOM 990 CA SER A 64 -1.457 -23.449 -15.277 1.00 0.00 C ATOM 991 C SER A 64 -0.758 -23.878 -16.563 1.00 0.00 C ATOM 992 O SER A 64 0.248 -23.291 -16.962 1.00 0.00 O ATOM 993 CB SER A 64 -1.502 -21.922 -15.192 1.00 0.00 C ATOM 994 OG SER A 64 -2.327 -21.495 -14.122 1.00 0.00 O ATOM 0 H SER A 64 -0.135 -23.357 -13.652 1.00 0.00 H new ATOM 0 HA SER A 64 -2.476 -23.835 -15.292 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.493 -21.532 -15.055 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.877 -21.513 -16.130 1.00 0.00 H new ATOM 0 HG SER A 64 -2.338 -20.516 -14.088 1.00 0.00 H new ATOM 1000 N SER A 65 -1.300 -24.906 -17.209 1.00 0.00 N ATOM 1001 CA SER A 65 -0.727 -25.418 -18.448 1.00 0.00 C ATOM 1002 C SER A 65 -1.665 -25.166 -19.625 1.00 0.00 C ATOM 1003 O SER A 65 -1.309 -24.479 -20.581 1.00 0.00 O ATOM 1004 CB SER A 65 -0.439 -26.915 -18.322 1.00 0.00 C ATOM 1005 OG SER A 65 0.639 -27.299 -19.157 1.00 0.00 O ATOM 0 H SER A 65 -2.135 -25.400 -16.895 1.00 0.00 H new ATOM 0 HA SER A 65 0.209 -24.890 -18.632 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.204 -27.157 -17.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.330 -27.484 -18.589 1.00 0.00 H new ATOM 0 HG SER A 65 0.804 -28.260 -19.057 1.00 0.00 H new ATOM 1011 N GLY A 66 -2.867 -25.728 -19.546 1.00 0.00 N ATOM 1012 CA GLY A 66 -3.839 -25.553 -20.610 1.00 0.00 C ATOM 1013 C GLY A 66 -5.214 -25.190 -20.085 1.00 0.00 C ATOM 1014 O GLY A 66 -6.135 -26.006 -20.119 1.00 0.00 O ATOM 0 H GLY A 66 -3.185 -26.301 -18.765 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.494 -24.772 -21.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.906 -26.473 -21.191 1.00 0.00 H new TER 1018 GLY A 66