USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 140:sc= -3.51! USER MOD Set 1.2: A 44 GLN : amide:sc= -3.23! C(o=-6.7!,f=-11!) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.75) USER MOD Set 2.3: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00432 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-5.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 85:sc= -0.523 USER MOD Single : A 48 HIS : no HE2:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.239 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.604 12.596 -29.010 1.00 0.00 N ATOM 2 CA GLY A 1 6.331 11.906 -29.100 1.00 0.00 C ATOM 3 C GLY A 1 5.510 12.035 -27.832 1.00 0.00 C ATOM 4 O GLY A 1 5.849 11.452 -26.803 1.00 0.00 O ATOM 0 H1 GLY A 1 8.127 12.478 -29.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.439 13.608 -28.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.160 12.198 -28.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.763 12.307 -29.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.507 10.851 -29.309 1.00 0.00 H new ATOM 8 N SER A 2 4.427 12.803 -27.906 1.00 0.00 N ATOM 9 CA SER A 2 3.558 13.012 -26.753 1.00 0.00 C ATOM 10 C SER A 2 2.096 12.787 -27.127 1.00 0.00 C ATOM 11 O SER A 2 1.725 12.865 -28.298 1.00 0.00 O ATOM 12 CB SER A 2 3.743 14.425 -26.198 1.00 0.00 C ATOM 13 OG SER A 2 3.595 15.397 -27.218 1.00 0.00 O ATOM 0 H SER A 2 4.131 13.290 -28.752 1.00 0.00 H new ATOM 0 HA SER A 2 3.834 12.289 -25.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.014 14.607 -25.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.731 14.515 -25.746 1.00 0.00 H new ATOM 0 HG SER A 2 3.716 16.292 -26.837 1.00 0.00 H new ATOM 19 N SER A 3 1.271 12.508 -26.123 1.00 0.00 N ATOM 20 CA SER A 3 -0.150 12.267 -26.346 1.00 0.00 C ATOM 21 C SER A 3 -0.999 13.216 -25.505 1.00 0.00 C ATOM 22 O SER A 3 -0.599 13.626 -24.416 1.00 0.00 O ATOM 23 CB SER A 3 -0.502 10.817 -26.010 1.00 0.00 C ATOM 24 OG SER A 3 -0.105 9.942 -27.052 1.00 0.00 O ATOM 0 H SER A 3 1.562 12.443 -25.148 1.00 0.00 H new ATOM 0 HA SER A 3 -0.364 12.450 -27.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.012 10.527 -25.080 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.576 10.729 -25.846 1.00 0.00 H new ATOM 0 HG SER A 3 -0.339 9.021 -26.813 1.00 0.00 H new ATOM 30 N GLY A 4 -2.175 13.562 -26.021 1.00 0.00 N ATOM 31 CA GLY A 4 -3.063 14.459 -25.306 1.00 0.00 C ATOM 32 C GLY A 4 -4.167 13.722 -24.573 1.00 0.00 C ATOM 33 O GLY A 4 -5.349 13.946 -24.831 1.00 0.00 O ATOM 0 H GLY A 4 -2.528 13.237 -26.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.484 15.044 -24.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.506 15.163 -26.010 1.00 0.00 H new ATOM 37 N SER A 5 -3.780 12.838 -23.659 1.00 0.00 N ATOM 38 CA SER A 5 -4.746 12.061 -22.891 1.00 0.00 C ATOM 39 C SER A 5 -4.265 11.862 -21.457 1.00 0.00 C ATOM 40 O SER A 5 -3.093 12.076 -21.148 1.00 0.00 O ATOM 41 CB SER A 5 -4.983 10.703 -23.555 1.00 0.00 C ATOM 42 OG SER A 5 -6.101 10.045 -22.984 1.00 0.00 O ATOM 0 H SER A 5 -2.805 12.642 -23.432 1.00 0.00 H new ATOM 0 HA SER A 5 -5.685 12.615 -22.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.145 10.841 -24.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.095 10.081 -23.445 1.00 0.00 H new ATOM 0 HG SER A 5 -6.233 9.180 -23.426 1.00 0.00 H new ATOM 48 N SER A 6 -5.179 11.450 -20.584 1.00 0.00 N ATOM 49 CA SER A 6 -4.851 11.225 -19.182 1.00 0.00 C ATOM 50 C SER A 6 -3.505 10.518 -19.045 1.00 0.00 C ATOM 51 O SER A 6 -2.995 9.940 -20.004 1.00 0.00 O ATOM 52 CB SER A 6 -5.945 10.396 -18.506 1.00 0.00 C ATOM 53 OG SER A 6 -7.205 11.038 -18.606 1.00 0.00 O ATOM 0 H SER A 6 -6.153 11.265 -20.824 1.00 0.00 H new ATOM 0 HA SER A 6 -4.784 12.196 -18.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.997 9.410 -18.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.694 10.242 -17.457 1.00 0.00 H new ATOM 0 HG SER A 6 -7.888 10.488 -18.168 1.00 0.00 H new ATOM 59 N GLY A 7 -2.936 10.570 -17.845 1.00 0.00 N ATOM 60 CA GLY A 7 -1.655 9.931 -17.604 1.00 0.00 C ATOM 61 C GLY A 7 -1.452 9.571 -16.145 1.00 0.00 C ATOM 62 O GLY A 7 -0.373 9.780 -15.590 1.00 0.00 O ATOM 0 H GLY A 7 -3.338 11.043 -17.036 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.583 9.029 -18.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.854 10.597 -17.926 1.00 0.00 H new ATOM 66 N LYS A 8 -2.493 9.029 -15.521 1.00 0.00 N ATOM 67 CA LYS A 8 -2.426 8.639 -14.118 1.00 0.00 C ATOM 68 C LYS A 8 -2.559 7.127 -13.967 1.00 0.00 C ATOM 69 O LYS A 8 -3.393 6.499 -14.619 1.00 0.00 O ATOM 70 CB LYS A 8 -3.526 9.341 -13.319 1.00 0.00 C ATOM 71 CG LYS A 8 -4.924 9.091 -13.859 1.00 0.00 C ATOM 72 CD LYS A 8 -5.321 10.138 -14.886 1.00 0.00 C ATOM 73 CE LYS A 8 -5.713 11.449 -14.223 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.482 12.615 -15.119 1.00 0.00 N ATOM 0 H LYS A 8 -3.393 8.850 -15.966 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.454 8.941 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.481 9.006 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.333 10.414 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.968 8.101 -14.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.639 9.097 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.491 10.310 -15.571 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.155 9.767 -15.482 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.765 11.412 -13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.139 11.577 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.762 13.489 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.474 12.666 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.049 12.506 -15.984 1.00 0.00 H new ATOM 88 N LYS A 9 -1.733 6.549 -13.102 1.00 0.00 N ATOM 89 CA LYS A 9 -1.760 5.111 -12.862 1.00 0.00 C ATOM 90 C LYS A 9 -1.202 4.779 -11.482 1.00 0.00 C ATOM 91 O LYS A 9 -0.150 5.283 -11.088 1.00 0.00 O ATOM 92 CB LYS A 9 -0.955 4.378 -13.938 1.00 0.00 C ATOM 93 CG LYS A 9 -1.748 4.093 -15.202 1.00 0.00 C ATOM 94 CD LYS A 9 -1.082 3.021 -16.048 1.00 0.00 C ATOM 95 CE LYS A 9 0.036 3.599 -16.902 1.00 0.00 C ATOM 96 NZ LYS A 9 0.399 2.694 -18.027 1.00 0.00 N ATOM 0 H LYS A 9 -1.036 7.055 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.798 4.781 -12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.080 4.975 -14.195 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.590 3.436 -13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.756 3.774 -14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.847 5.009 -15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.680 2.242 -15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.825 2.549 -16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.273 4.566 -17.299 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.914 3.776 -16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.164 3.124 -18.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.718 1.780 -17.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.432 2.546 -18.635 1.00 0.00 H new ATOM 110 N THR A 10 -1.913 3.926 -10.750 1.00 0.00 N ATOM 111 CA THR A 10 -1.489 3.527 -9.414 1.00 0.00 C ATOM 112 C THR A 10 -0.585 2.301 -9.468 1.00 0.00 C ATOM 113 O THR A 10 -1.051 1.169 -9.344 1.00 0.00 O ATOM 114 CB THR A 10 -2.698 3.220 -8.510 1.00 0.00 C ATOM 115 OG1 THR A 10 -3.581 4.347 -8.473 1.00 0.00 O ATOM 116 CG2 THR A 10 -2.244 2.878 -7.099 1.00 0.00 C ATOM 0 H THR A 10 -2.785 3.498 -11.061 1.00 0.00 H new ATOM 0 HA THR A 10 -0.934 4.366 -8.994 1.00 0.00 H new ATOM 0 HB THR A 10 -3.225 2.360 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.348 4.143 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.114 2.665 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.596 2.002 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.696 3.721 -6.679 1.00 0.00 H new ATOM 124 N GLU A 11 0.710 2.534 -9.653 1.00 0.00 N ATOM 125 CA GLU A 11 1.680 1.447 -9.724 1.00 0.00 C ATOM 126 C GLU A 11 2.696 1.550 -8.590 1.00 0.00 C ATOM 127 O GLU A 11 3.371 2.568 -8.438 1.00 0.00 O ATOM 128 CB GLU A 11 2.401 1.464 -11.073 1.00 0.00 C ATOM 129 CG GLU A 11 3.000 2.815 -11.426 1.00 0.00 C ATOM 130 CD GLU A 11 3.957 2.740 -12.600 1.00 0.00 C ATOM 131 OE1 GLU A 11 3.498 2.442 -13.722 1.00 0.00 O ATOM 132 OE2 GLU A 11 5.165 2.980 -12.395 1.00 0.00 O ATOM 0 H GLU A 11 1.112 3.466 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 11 1.140 0.505 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.194 0.716 -11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.699 1.172 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.197 3.514 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.526 3.213 -10.558 1.00 0.00 H new ATOM 139 N TRP A 12 2.797 0.490 -7.796 1.00 0.00 N ATOM 140 CA TRP A 12 3.730 0.461 -6.675 1.00 0.00 C ATOM 141 C TRP A 12 4.913 -0.452 -6.976 1.00 0.00 C ATOM 142 O TRP A 12 4.807 -1.377 -7.781 1.00 0.00 O ATOM 143 CB TRP A 12 3.018 -0.008 -5.405 1.00 0.00 C ATOM 144 CG TRP A 12 1.944 0.930 -4.946 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.854 1.342 -5.660 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.856 1.575 -3.671 1.00 0.00 C ATOM 147 NE1 TRP A 12 0.096 2.203 -4.905 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.688 2.362 -3.681 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.650 1.563 -2.521 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.298 3.129 -2.586 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.262 2.324 -1.435 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.094 3.098 -1.473 1.00 0.00 C ATOM 0 H TRP A 12 2.245 -0.360 -7.907 1.00 0.00 H new ATOM 0 HA TRP A 12 4.106 1.472 -6.520 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.581 -0.990 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.752 -0.126 -4.608 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.623 1.036 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.769 2.652 -5.207 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.551 0.969 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.601 3.727 -2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.869 2.322 -0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.817 3.681 -0.607 1.00 0.00 H new ATOM 163 N SER A 13 6.041 -0.186 -6.324 1.00 0.00 N ATOM 164 CA SER A 13 7.246 -0.982 -6.525 1.00 0.00 C ATOM 165 C SER A 13 7.587 -1.778 -5.269 1.00 0.00 C ATOM 166 O SER A 13 7.253 -1.374 -4.155 1.00 0.00 O ATOM 167 CB SER A 13 8.421 -0.080 -6.906 1.00 0.00 C ATOM 168 OG SER A 13 9.429 -0.812 -7.581 1.00 0.00 O ATOM 0 H SER A 13 6.145 0.575 -5.652 1.00 0.00 H new ATOM 0 HA SER A 13 7.057 -1.683 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.069 0.732 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.838 0.377 -6.009 1.00 0.00 H new ATOM 0 HG SER A 13 10.168 -0.212 -7.815 1.00 0.00 H new ATOM 174 N ARG A 14 8.254 -2.912 -5.457 1.00 0.00 N ATOM 175 CA ARG A 14 8.640 -3.766 -4.341 1.00 0.00 C ATOM 176 C ARG A 14 8.988 -2.931 -3.112 1.00 0.00 C ATOM 177 O ARG A 14 8.745 -3.345 -1.979 1.00 0.00 O ATOM 178 CB ARG A 14 9.832 -4.643 -4.729 1.00 0.00 C ATOM 179 CG ARG A 14 10.047 -5.826 -3.800 1.00 0.00 C ATOM 180 CD ARG A 14 9.047 -6.939 -4.075 1.00 0.00 C ATOM 181 NE ARG A 14 9.527 -7.864 -5.098 1.00 0.00 N ATOM 182 CZ ARG A 14 8.725 -8.625 -5.835 1.00 0.00 C ATOM 183 NH1 ARG A 14 7.412 -8.570 -5.663 1.00 0.00 N ATOM 184 NH2 ARG A 14 9.237 -9.442 -6.746 1.00 0.00 N ATOM 0 H ARG A 14 8.538 -3.261 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 14 7.792 -4.406 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.686 -5.011 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.734 -4.031 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.061 -6.207 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.953 -5.499 -2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.852 -7.487 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.100 -6.505 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 14 10.533 -7.929 -5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.015 -7.942 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.798 -9.155 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.247 -9.486 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.621 -10.026 -7.311 1.00 0.00 H new ATOM 198 N GLU A 15 9.559 -1.753 -3.346 1.00 0.00 N ATOM 199 CA GLU A 15 9.941 -0.861 -2.258 1.00 0.00 C ATOM 200 C GLU A 15 8.715 -0.183 -1.654 1.00 0.00 C ATOM 201 O GLU A 15 8.324 -0.477 -0.525 1.00 0.00 O ATOM 202 CB GLU A 15 10.928 0.196 -2.758 1.00 0.00 C ATOM 203 CG GLU A 15 12.360 -0.302 -2.850 1.00 0.00 C ATOM 204 CD GLU A 15 13.155 0.401 -3.933 1.00 0.00 C ATOM 205 OE1 GLU A 15 13.562 1.560 -3.713 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.369 -0.210 -5.002 1.00 0.00 O ATOM 0 H GLU A 15 9.767 -1.395 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 15 10.422 -1.459 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.609 0.542 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.894 1.057 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.854 -0.156 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.356 -1.374 -3.046 1.00 0.00 H new ATOM 213 N GLU A 16 8.114 0.727 -2.415 1.00 0.00 N ATOM 214 CA GLU A 16 6.933 1.448 -1.954 1.00 0.00 C ATOM 215 C GLU A 16 6.059 0.556 -1.076 1.00 0.00 C ATOM 216 O GLU A 16 5.518 1.002 -0.066 1.00 0.00 O ATOM 217 CB GLU A 16 6.123 1.960 -3.146 1.00 0.00 C ATOM 218 CG GLU A 16 6.691 3.224 -3.770 1.00 0.00 C ATOM 219 CD GLU A 16 7.720 2.932 -4.846 1.00 0.00 C ATOM 220 OE1 GLU A 16 8.681 2.187 -4.561 1.00 0.00 O ATOM 221 OE2 GLU A 16 7.564 3.448 -5.972 1.00 0.00 O ATOM 0 H GLU A 16 8.425 0.982 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 16 7.267 2.298 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.077 1.179 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.100 2.152 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.878 3.810 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.148 3.835 -2.992 1.00 0.00 H new ATOM 228 N GLU A 17 5.927 -0.706 -1.473 1.00 0.00 N ATOM 229 CA GLU A 17 5.117 -1.660 -0.723 1.00 0.00 C ATOM 230 C GLU A 17 5.731 -1.937 0.646 1.00 0.00 C ATOM 231 O GLU A 17 5.114 -1.673 1.678 1.00 0.00 O ATOM 232 CB GLU A 17 4.976 -2.968 -1.505 1.00 0.00 C ATOM 233 CG GLU A 17 4.137 -2.837 -2.765 1.00 0.00 C ATOM 234 CD GLU A 17 3.841 -4.176 -3.411 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.679 -5.169 -2.672 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.772 -4.231 -4.657 1.00 0.00 O ATOM 0 H GLU A 17 6.369 -1.091 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 17 4.129 -1.223 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.968 -3.328 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.529 -3.722 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.198 -2.340 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.659 -2.201 -3.480 1.00 0.00 H new ATOM 243 N GLU A 18 6.949 -2.470 0.646 1.00 0.00 N ATOM 244 CA GLU A 18 7.645 -2.784 1.888 1.00 0.00 C ATOM 245 C GLU A 18 7.377 -1.717 2.946 1.00 0.00 C ATOM 246 O GLU A 18 6.862 -2.012 4.024 1.00 0.00 O ATOM 247 CB GLU A 18 9.150 -2.905 1.639 1.00 0.00 C ATOM 248 CG GLU A 18 9.530 -4.100 0.781 1.00 0.00 C ATOM 249 CD GLU A 18 10.860 -3.913 0.076 1.00 0.00 C ATOM 250 OE1 GLU A 18 11.655 -3.062 0.528 1.00 0.00 O ATOM 251 OE2 GLU A 18 11.105 -4.616 -0.926 1.00 0.00 O ATOM 0 H GLU A 18 7.474 -2.693 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 18 7.267 -3.738 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.504 -1.994 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.664 -2.978 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.577 -4.991 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.751 -4.272 0.039 1.00 0.00 H new ATOM 258 N LYS A 19 7.733 -0.477 2.630 1.00 0.00 N ATOM 259 CA LYS A 19 7.532 0.636 3.551 1.00 0.00 C ATOM 260 C LYS A 19 6.061 0.765 3.934 1.00 0.00 C ATOM 261 O LYS A 19 5.734 1.161 5.054 1.00 0.00 O ATOM 262 CB LYS A 19 8.023 1.941 2.921 1.00 0.00 C ATOM 263 CG LYS A 19 6.942 2.696 2.166 1.00 0.00 C ATOM 264 CD LYS A 19 7.527 3.519 1.030 1.00 0.00 C ATOM 265 CE LYS A 19 8.254 4.750 1.550 1.00 0.00 C ATOM 266 NZ LYS A 19 9.278 5.238 0.585 1.00 0.00 N ATOM 0 H LYS A 19 8.163 -0.217 1.742 1.00 0.00 H new ATOM 0 HA LYS A 19 8.109 0.437 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.424 2.584 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.844 1.719 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.214 1.989 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.407 3.351 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.217 2.904 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.730 3.825 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.532 5.543 1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.733 4.514 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.751 6.078 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.982 4.491 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.817 5.487 -0.314 1.00 0.00 H new ATOM 280 N LEU A 20 5.179 0.429 3.000 1.00 0.00 N ATOM 281 CA LEU A 20 3.742 0.506 3.241 1.00 0.00 C ATOM 282 C LEU A 20 3.316 -0.489 4.316 1.00 0.00 C ATOM 283 O LEU A 20 2.709 -0.113 5.319 1.00 0.00 O ATOM 284 CB LEU A 20 2.973 0.237 1.946 1.00 0.00 C ATOM 285 CG LEU A 20 1.472 0.525 1.985 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.208 1.906 2.564 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.869 0.403 0.593 1.00 0.00 C ATOM 0 H LEU A 20 5.433 0.100 2.068 1.00 0.00 H new ATOM 0 HA LEU A 20 3.510 1.512 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.417 0.837 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.115 -0.809 1.673 1.00 0.00 H new ATOM 0 HG LEU A 20 0.997 -0.213 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.134 2.093 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.604 1.957 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.696 2.659 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.200 0.611 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.349 1.118 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.025 -0.608 0.216 1.00 0.00 H new ATOM 299 N LEU A 21 3.639 -1.759 4.100 1.00 0.00 N ATOM 300 CA LEU A 21 3.292 -2.809 5.051 1.00 0.00 C ATOM 301 C LEU A 21 3.786 -2.460 6.452 1.00 0.00 C ATOM 302 O LEU A 21 3.155 -2.811 7.449 1.00 0.00 O ATOM 303 CB LEU A 21 3.889 -4.146 4.606 1.00 0.00 C ATOM 304 CG LEU A 21 3.249 -4.790 3.376 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.119 -5.721 3.788 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.741 -3.722 2.419 1.00 0.00 C ATOM 0 H LEU A 21 4.141 -2.087 3.275 1.00 0.00 H new ATOM 0 HA LEU A 21 2.206 -2.895 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.950 -3.998 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.818 -4.848 5.437 1.00 0.00 H new ATOM 0 HG LEU A 21 4.008 -5.379 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.675 -6.170 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.512 -6.506 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.359 -5.155 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.289 -4.198 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.997 -3.106 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.573 -3.096 2.098 1.00 0.00 H new ATOM 318 N HIS A 22 4.916 -1.764 6.519 1.00 0.00 N ATOM 319 CA HIS A 22 5.493 -1.365 7.798 1.00 0.00 C ATOM 320 C HIS A 22 4.672 -0.251 8.440 1.00 0.00 C ATOM 321 O HIS A 22 4.182 -0.393 9.561 1.00 0.00 O ATOM 322 CB HIS A 22 6.939 -0.904 7.607 1.00 0.00 C ATOM 323 CG HIS A 22 7.659 -0.643 8.894 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.079 -1.649 9.738 1.00 0.00 N ATOM 325 CD2 HIS A 22 8.034 0.519 9.479 1.00 0.00 C ATOM 326 CE1 HIS A 22 8.681 -1.117 10.788 1.00 0.00 C ATOM 327 NE2 HIS A 22 8.667 0.197 10.655 1.00 0.00 N ATOM 0 H HIS A 22 5.450 -1.465 5.703 1.00 0.00 H new ATOM 0 HA HIS A 22 5.480 -2.230 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.482 -1.663 7.044 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.946 0.005 7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.867 1.514 9.093 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.111 -1.664 11.614 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.062 0.864 11.318 1.00 0.00 H new ATOM 336 N LEU A 23 4.526 0.858 7.723 1.00 0.00 N ATOM 337 CA LEU A 23 3.764 1.998 8.223 1.00 0.00 C ATOM 338 C LEU A 23 2.333 1.591 8.559 1.00 0.00 C ATOM 339 O LEU A 23 1.868 1.791 9.681 1.00 0.00 O ATOM 340 CB LEU A 23 3.756 3.124 7.188 1.00 0.00 C ATOM 341 CG LEU A 23 4.964 4.062 7.208 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.250 4.593 5.812 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.732 5.210 8.180 1.00 0.00 C ATOM 0 H LEU A 23 4.925 0.992 6.794 1.00 0.00 H new ATOM 0 HA LEU A 23 4.245 2.354 9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.684 2.678 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.856 3.720 7.336 1.00 0.00 H new ATOM 0 HG LEU A 23 5.833 3.497 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.113 5.259 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.461 3.760 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.382 5.142 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.602 5.867 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.851 5.774 7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.577 4.812 9.183 1.00 0.00 H new ATOM 355 N ALA A 24 1.641 1.017 7.581 1.00 0.00 N ATOM 356 CA ALA A 24 0.265 0.578 7.774 1.00 0.00 C ATOM 357 C ALA A 24 0.093 -0.110 9.124 1.00 0.00 C ATOM 358 O ALA A 24 -0.835 0.193 9.874 1.00 0.00 O ATOM 359 CB ALA A 24 -0.155 -0.354 6.647 1.00 0.00 C ATOM 0 H ALA A 24 2.011 0.845 6.646 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.377 1.459 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.185 -0.674 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.079 0.170 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.498 -1.227 6.634 1.00 0.00 H new ATOM 365 N LYS A 25 0.993 -1.040 9.428 1.00 0.00 N ATOM 366 CA LYS A 25 0.942 -1.771 10.688 1.00 0.00 C ATOM 367 C LYS A 25 1.242 -0.849 11.866 1.00 0.00 C ATOM 368 O LYS A 25 0.573 -0.907 12.898 1.00 0.00 O ATOM 369 CB LYS A 25 1.939 -2.932 10.668 1.00 0.00 C ATOM 370 CG LYS A 25 2.115 -3.606 12.018 1.00 0.00 C ATOM 371 CD LYS A 25 3.295 -4.563 12.014 1.00 0.00 C ATOM 372 CE LYS A 25 3.932 -4.667 13.392 1.00 0.00 C ATOM 373 NZ LYS A 25 3.245 -5.676 14.245 1.00 0.00 N ATOM 0 H LYS A 25 1.767 -1.305 8.818 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.066 -2.167 10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.606 -3.673 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.906 -2.563 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.263 -2.848 12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.206 -4.149 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.964 -5.549 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.038 -4.223 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.983 -4.935 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.899 -3.694 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.708 -5.717 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.248 -5.407 14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.299 -6.610 13.790 1.00 0.00 H new ATOM 387 N LEU A 26 2.250 0.001 11.703 1.00 0.00 N ATOM 388 CA LEU A 26 2.637 0.937 12.753 1.00 0.00 C ATOM 389 C LEU A 26 1.454 1.803 13.174 1.00 0.00 C ATOM 390 O LEU A 26 1.116 1.876 14.355 1.00 0.00 O ATOM 391 CB LEU A 26 3.787 1.824 12.273 1.00 0.00 C ATOM 392 CG LEU A 26 5.146 1.139 12.124 1.00 0.00 C ATOM 393 CD1 LEU A 26 5.960 1.801 11.023 1.00 0.00 C ATOM 394 CD2 LEU A 26 5.906 1.168 13.442 1.00 0.00 C ATOM 0 H LEU A 26 2.814 0.061 10.855 1.00 0.00 H new ATOM 0 HA LEU A 26 2.967 0.360 13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.511 2.253 11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.895 2.654 12.972 1.00 0.00 H new ATOM 0 HG LEU A 26 4.978 0.098 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.924 1.300 10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.422 1.727 10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.119 2.851 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.871 0.676 13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.063 2.202 13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.329 0.647 14.206 1.00 0.00 H new ATOM 406 N MET A 27 0.828 2.455 12.200 1.00 0.00 N ATOM 407 CA MET A 27 -0.320 3.313 12.470 1.00 0.00 C ATOM 408 C MET A 27 -1.442 3.051 11.470 1.00 0.00 C ATOM 409 O MET A 27 -1.582 3.744 10.463 1.00 0.00 O ATOM 410 CB MET A 27 0.093 4.785 12.417 1.00 0.00 C ATOM 411 CG MET A 27 1.395 5.078 13.146 1.00 0.00 C ATOM 412 SD MET A 27 1.867 6.815 13.053 1.00 0.00 S ATOM 413 CE MET A 27 2.904 6.807 11.592 1.00 0.00 C ATOM 0 H MET A 27 1.096 2.406 11.217 1.00 0.00 H new ATOM 0 HA MET A 27 -0.687 3.082 13.470 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.193 5.088 11.375 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.701 5.393 12.851 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.294 4.788 14.192 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.191 4.466 12.721 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.274 7.815 11.403 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.747 6.134 11.748 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.323 6.467 10.735 1.00 0.00 H new ATOM 423 N PRO A 28 -2.260 2.026 11.753 1.00 0.00 N ATOM 424 CA PRO A 28 -3.384 1.650 10.890 1.00 0.00 C ATOM 425 C PRO A 28 -4.506 2.682 10.917 1.00 0.00 C ATOM 426 O PRO A 28 -5.543 2.504 10.276 1.00 0.00 O ATOM 427 CB PRO A 28 -3.862 0.324 11.488 1.00 0.00 C ATOM 428 CG PRO A 28 -3.438 0.378 12.915 1.00 0.00 C ATOM 429 CD PRO A 28 -2.152 1.157 12.936 1.00 0.00 C ATOM 0 HA PRO A 28 -3.088 1.579 9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.943 0.217 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.414 -0.527 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.197 0.862 13.530 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.293 -0.625 13.317 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.049 1.737 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.284 0.501 12.875 1.00 0.00 H new ATOM 437 N THR A 29 -4.293 3.762 11.661 1.00 0.00 N ATOM 438 CA THR A 29 -5.287 4.822 11.772 1.00 0.00 C ATOM 439 C THR A 29 -4.642 6.197 11.636 1.00 0.00 C ATOM 440 O THR A 29 -5.136 7.181 12.186 1.00 0.00 O ATOM 441 CB THR A 29 -6.038 4.751 13.115 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.102 4.706 14.198 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.939 3.526 13.167 1.00 0.00 C ATOM 0 H THR A 29 -3.440 3.926 12.196 1.00 0.00 H new ATOM 0 HA THR A 29 -5.998 4.674 10.959 1.00 0.00 H new ATOM 0 HB THR A 29 -6.658 5.643 13.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.587 4.663 15.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.459 3.497 14.125 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.669 3.577 12.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.335 2.625 13.055 1.00 0.00 H new ATOM 451 N GLN A 30 -3.537 6.257 10.900 1.00 0.00 N ATOM 452 CA GLN A 30 -2.826 7.512 10.692 1.00 0.00 C ATOM 453 C GLN A 30 -2.442 7.685 9.226 1.00 0.00 C ATOM 454 O GLN A 30 -1.362 8.186 8.912 1.00 0.00 O ATOM 455 CB GLN A 30 -1.573 7.564 11.569 1.00 0.00 C ATOM 456 CG GLN A 30 -1.874 7.620 13.058 1.00 0.00 C ATOM 457 CD GLN A 30 -2.851 8.723 13.415 1.00 0.00 C ATOM 458 OE1 GLN A 30 -2.659 9.881 13.044 1.00 0.00 O ATOM 459 NE2 GLN A 30 -3.906 8.369 14.139 1.00 0.00 N ATOM 0 H GLN A 30 -3.115 5.451 10.438 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.492 8.328 10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.959 6.687 11.364 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.983 8.438 11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.281 6.661 13.379 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.945 7.771 13.607 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.026 7.397 14.425 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.597 9.069 14.409 1.00 0.00 H new ATOM 468 N TRP A 31 -3.332 7.267 8.334 1.00 0.00 N ATOM 469 CA TRP A 31 -3.086 7.375 6.900 1.00 0.00 C ATOM 470 C TRP A 31 -2.701 8.800 6.520 1.00 0.00 C ATOM 471 O TRP A 31 -1.875 9.013 5.632 1.00 0.00 O ATOM 472 CB TRP A 31 -4.326 6.942 6.115 1.00 0.00 C ATOM 473 CG TRP A 31 -4.803 5.566 6.470 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.921 5.245 7.186 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.175 4.326 6.126 1.00 0.00 C ATOM 476 NE1 TRP A 31 -6.025 3.881 7.308 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.967 3.294 6.666 1.00 0.00 C ATOM 478 CE3 TRP A 31 -3.022 3.987 5.413 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.641 1.949 6.515 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.699 2.652 5.264 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.506 1.646 5.812 1.00 0.00 C ATOM 0 H TRP A 31 -4.230 6.850 8.578 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.256 6.715 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.130 7.656 6.297 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.103 6.978 5.049 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.620 5.959 7.596 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.770 3.385 7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.394 4.755 4.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.261 1.172 6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.809 2.379 4.716 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.227 0.611 5.677 1.00 0.00 H new ATOM 492 N ARG A 32 -3.303 9.772 7.198 1.00 0.00 N ATOM 493 CA ARG A 32 -3.022 11.177 6.929 1.00 0.00 C ATOM 494 C ARG A 32 -1.551 11.496 7.181 1.00 0.00 C ATOM 495 O ARG A 32 -1.019 12.477 6.661 1.00 0.00 O ATOM 496 CB ARG A 32 -3.905 12.071 7.802 1.00 0.00 C ATOM 497 CG ARG A 32 -5.333 12.195 7.298 1.00 0.00 C ATOM 498 CD ARG A 32 -5.999 13.461 7.816 1.00 0.00 C ATOM 499 NE ARG A 32 -6.425 13.325 9.207 1.00 0.00 N ATOM 500 CZ ARG A 32 -6.793 14.351 9.966 1.00 0.00 C ATOM 501 NH1 ARG A 32 -6.788 15.582 9.471 1.00 0.00 N ATOM 502 NH2 ARG A 32 -7.168 14.148 11.222 1.00 0.00 N ATOM 0 H ARG A 32 -3.988 9.612 7.937 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.243 11.371 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.920 11.673 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.460 13.065 7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.336 12.201 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.908 11.325 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.305 14.297 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.862 13.697 7.194 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.441 12.391 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.501 15.742 8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.071 16.368 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.174 13.203 11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.450 14.937 11.804 1.00 0.00 H new ATOM 516 N THR A 33 -0.898 10.659 7.982 1.00 0.00 N ATOM 517 CA THR A 33 0.510 10.852 8.304 1.00 0.00 C ATOM 518 C THR A 33 1.399 9.984 7.421 1.00 0.00 C ATOM 519 O THR A 33 2.478 10.407 7.004 1.00 0.00 O ATOM 520 CB THR A 33 0.798 10.527 9.782 1.00 0.00 C ATOM 521 OG1 THR A 33 0.059 11.411 10.631 1.00 0.00 O ATOM 522 CG2 THR A 33 2.284 10.650 10.083 1.00 0.00 C ATOM 0 H THR A 33 -1.322 9.841 8.419 1.00 0.00 H new ATOM 0 HA THR A 33 0.736 11.903 8.121 1.00 0.00 H new ATOM 0 HB THR A 33 0.489 9.499 9.972 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.246 11.197 11.569 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.463 10.416 11.132 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.841 9.954 9.456 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.614 11.668 9.877 1.00 0.00 H new ATOM 530 N ILE A 34 0.941 8.769 7.140 1.00 0.00 N ATOM 531 CA ILE A 34 1.695 7.842 6.305 1.00 0.00 C ATOM 532 C ILE A 34 1.708 8.299 4.851 1.00 0.00 C ATOM 533 O ILE A 34 2.623 7.972 4.095 1.00 0.00 O ATOM 534 CB ILE A 34 1.114 6.418 6.378 1.00 0.00 C ATOM 535 CG1 ILE A 34 0.951 5.984 7.837 1.00 0.00 C ATOM 536 CG2 ILE A 34 2.006 5.442 5.626 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.171 4.699 8.002 1.00 0.00 C ATOM 0 H ILE A 34 0.051 8.403 7.478 1.00 0.00 H new ATOM 0 HA ILE A 34 2.715 7.829 6.689 1.00 0.00 H new ATOM 0 HB ILE A 34 0.131 6.418 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.938 5.860 8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.449 6.778 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.582 4.440 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.075 5.744 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.001 5.442 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.095 4.453 9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.829 4.824 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.684 3.892 7.478 1.00 0.00 H new ATOM 549 N ALA A 35 0.688 9.059 4.465 1.00 0.00 N ATOM 550 CA ALA A 35 0.585 9.565 3.102 1.00 0.00 C ATOM 551 C ALA A 35 1.798 10.414 2.738 1.00 0.00 C ATOM 552 O ALA A 35 2.519 10.132 1.780 1.00 0.00 O ATOM 553 CB ALA A 35 -0.695 10.371 2.934 1.00 0.00 C ATOM 0 H ALA A 35 -0.079 9.338 5.077 1.00 0.00 H new ATOM 0 HA ALA A 35 0.556 8.711 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.759 10.743 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.555 9.735 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.688 11.213 3.626 1.00 0.00 H new ATOM 559 N PRO A 36 2.032 11.480 3.518 1.00 0.00 N ATOM 560 CA PRO A 36 3.158 12.392 3.296 1.00 0.00 C ATOM 561 C PRO A 36 4.500 11.742 3.614 1.00 0.00 C ATOM 562 O PRO A 36 5.553 12.254 3.233 1.00 0.00 O ATOM 563 CB PRO A 36 2.878 13.543 4.266 1.00 0.00 C ATOM 564 CG PRO A 36 2.046 12.938 5.343 1.00 0.00 C ATOM 565 CD PRO A 36 1.214 11.877 4.677 1.00 0.00 C ATOM 0 HA PRO A 36 3.232 12.703 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.803 13.957 4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.352 14.359 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.672 12.509 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.414 13.689 5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.027 11.035 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.242 12.263 4.370 1.00 0.00 H new ATOM 573 N ILE A 37 4.456 10.614 4.314 1.00 0.00 N ATOM 574 CA ILE A 37 5.669 9.895 4.681 1.00 0.00 C ATOM 575 C ILE A 37 6.099 8.939 3.573 1.00 0.00 C ATOM 576 O ILE A 37 7.272 8.579 3.471 1.00 0.00 O ATOM 577 CB ILE A 37 5.479 9.098 5.985 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.324 10.050 7.173 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.652 8.154 6.205 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.807 9.376 8.424 1.00 0.00 C ATOM 0 H ILE A 37 3.593 10.178 4.639 1.00 0.00 H new ATOM 0 HA ILE A 37 6.445 10.645 4.833 1.00 0.00 H new ATOM 0 HB ILE A 37 4.570 8.503 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.289 10.508 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.644 10.855 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.503 7.598 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.720 7.457 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.575 8.730 6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.722 10.111 9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.827 8.942 8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.498 8.589 8.725 1.00 0.00 H new ATOM 592 N ILE A 38 5.142 8.535 2.744 1.00 0.00 N ATOM 593 CA ILE A 38 5.422 7.624 1.641 1.00 0.00 C ATOM 594 C ILE A 38 5.471 8.369 0.312 1.00 0.00 C ATOM 595 O ILE A 38 6.290 8.062 -0.554 1.00 0.00 O ATOM 596 CB ILE A 38 4.366 6.506 1.552 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.450 5.596 2.779 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.553 5.701 0.275 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.661 4.314 2.636 1.00 0.00 C ATOM 0 H ILE A 38 4.166 8.824 2.815 1.00 0.00 H new ATOM 0 HA ILE A 38 6.396 7.177 1.840 1.00 0.00 H new ATOM 0 HB ILE A 38 3.376 6.962 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.495 5.351 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.088 6.141 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.799 4.915 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.448 6.358 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.546 5.252 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.767 3.719 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.609 4.550 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.038 3.748 1.784 1.00 0.00 H new ATOM 611 N GLY A 39 4.589 9.352 0.157 1.00 0.00 N ATOM 612 CA GLY A 39 4.549 10.127 -1.069 1.00 0.00 C ATOM 613 C GLY A 39 3.145 10.265 -1.622 1.00 0.00 C ATOM 614 O GLY A 39 2.798 11.294 -2.204 1.00 0.00 O ATOM 0 H GLY A 39 3.901 9.625 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.962 11.118 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.185 9.653 -1.816 1.00 0.00 H new ATOM 618 N ARG A 40 2.334 9.228 -1.442 1.00 0.00 N ATOM 619 CA ARG A 40 0.961 9.237 -1.930 1.00 0.00 C ATOM 620 C ARG A 40 0.005 9.746 -0.855 1.00 0.00 C ATOM 621 O ARG A 40 0.417 10.046 0.267 1.00 0.00 O ATOM 622 CB ARG A 40 0.545 7.833 -2.374 1.00 0.00 C ATOM 623 CG ARG A 40 1.205 7.384 -3.667 1.00 0.00 C ATOM 624 CD ARG A 40 0.944 5.911 -3.942 1.00 0.00 C ATOM 625 NE ARG A 40 -0.264 5.708 -4.737 1.00 0.00 N ATOM 626 CZ ARG A 40 -0.425 6.185 -5.966 1.00 0.00 C ATOM 627 NH1 ARG A 40 0.542 6.890 -6.538 1.00 0.00 N ATOM 628 NH2 ARG A 40 -1.554 5.958 -6.625 1.00 0.00 N ATOM 0 H ARG A 40 2.605 8.370 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 40 0.911 9.911 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.792 7.123 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.537 7.806 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.828 7.983 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.279 7.560 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.799 5.483 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.850 5.377 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.027 5.170 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.411 7.067 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.417 7.256 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.300 5.417 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.676 6.325 -7.569 1.00 0.00 H new ATOM 642 N THR A 41 -1.274 9.842 -1.204 1.00 0.00 N ATOM 643 CA THR A 41 -2.288 10.316 -0.270 1.00 0.00 C ATOM 644 C THR A 41 -2.759 9.192 0.646 1.00 0.00 C ATOM 645 O THR A 41 -2.420 8.028 0.441 1.00 0.00 O ATOM 646 CB THR A 41 -3.504 10.902 -1.012 1.00 0.00 C ATOM 647 OG1 THR A 41 -4.261 9.850 -1.621 1.00 0.00 O ATOM 648 CG2 THR A 41 -3.062 11.897 -2.075 1.00 0.00 C ATOM 0 H THR A 41 -1.632 9.598 -2.127 1.00 0.00 H new ATOM 0 HA THR A 41 -1.825 11.100 0.329 1.00 0.00 H new ATOM 0 HB THR A 41 -4.127 11.424 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.218 10.034 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.938 12.297 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.512 12.712 -1.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.419 11.395 -2.798 1.00 0.00 H new ATOM 656 N ALA A 42 -3.544 9.550 1.657 1.00 0.00 N ATOM 657 CA ALA A 42 -4.064 8.571 2.604 1.00 0.00 C ATOM 658 C ALA A 42 -4.822 7.461 1.885 1.00 0.00 C ATOM 659 O ALA A 42 -4.575 6.277 2.116 1.00 0.00 O ATOM 660 CB ALA A 42 -4.964 9.251 3.625 1.00 0.00 C ATOM 0 H ALA A 42 -3.834 10.510 1.841 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.219 8.120 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.345 8.508 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.393 10.004 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.799 9.729 3.113 1.00 0.00 H new ATOM 666 N ALA A 43 -5.745 7.850 1.012 1.00 0.00 N ATOM 667 CA ALA A 43 -6.538 6.887 0.258 1.00 0.00 C ATOM 668 C ALA A 43 -5.648 5.999 -0.605 1.00 0.00 C ATOM 669 O ALA A 43 -5.507 4.805 -0.343 1.00 0.00 O ATOM 670 CB ALA A 43 -7.563 7.608 -0.605 1.00 0.00 C ATOM 0 H ALA A 43 -5.962 8.826 0.809 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.062 6.249 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.148 6.877 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.226 8.194 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.050 8.270 -1.303 1.00 0.00 H new ATOM 676 N GLN A 44 -5.050 6.590 -1.635 1.00 0.00 N ATOM 677 CA GLN A 44 -4.175 5.851 -2.537 1.00 0.00 C ATOM 678 C GLN A 44 -3.347 4.824 -1.771 1.00 0.00 C ATOM 679 O GLN A 44 -3.255 3.663 -2.173 1.00 0.00 O ATOM 680 CB GLN A 44 -3.251 6.812 -3.286 1.00 0.00 C ATOM 681 CG GLN A 44 -3.935 7.549 -4.426 1.00 0.00 C ATOM 682 CD GLN A 44 -4.649 8.804 -3.965 1.00 0.00 C ATOM 683 OE1 GLN A 44 -5.710 8.736 -3.343 1.00 0.00 O ATOM 684 NE2 GLN A 44 -4.070 9.960 -4.267 1.00 0.00 N ATOM 0 H GLN A 44 -5.156 7.578 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.800 5.323 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.851 7.541 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.403 6.253 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.193 7.814 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.652 6.883 -4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.191 9.970 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.504 10.838 -3.982 1.00 0.00 H new ATOM 693 N CYS A 45 -2.746 5.258 -0.669 1.00 0.00 N ATOM 694 CA CYS A 45 -1.924 4.377 0.152 1.00 0.00 C ATOM 695 C CYS A 45 -2.750 3.215 0.697 1.00 0.00 C ATOM 696 O CYS A 45 -2.440 2.049 0.449 1.00 0.00 O ATOM 697 CB CYS A 45 -1.298 5.159 1.307 1.00 0.00 C ATOM 698 SG CYS A 45 -0.051 6.363 0.792 1.00 0.00 S ATOM 0 H CYS A 45 -2.813 6.215 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.130 3.972 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.087 5.679 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.842 4.455 2.004 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.633 7.478 0.466 1.00 0.00 H new ATOM 704 N LEU A 46 -3.801 3.542 1.441 1.00 0.00 N ATOM 705 CA LEU A 46 -4.671 2.526 2.023 1.00 0.00 C ATOM 706 C LEU A 46 -5.157 1.549 0.957 1.00 0.00 C ATOM 707 O LEU A 46 -4.973 0.338 1.082 1.00 0.00 O ATOM 708 CB LEU A 46 -5.868 3.184 2.711 1.00 0.00 C ATOM 709 CG LEU A 46 -7.048 2.266 3.029 1.00 0.00 C ATOM 710 CD1 LEU A 46 -6.668 1.261 4.106 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.257 3.082 3.462 1.00 0.00 C ATOM 0 H LEU A 46 -4.071 4.502 1.655 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.095 1.971 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.524 3.635 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.225 3.995 2.077 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.310 1.717 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.521 0.616 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.832 0.654 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.379 1.792 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.088 2.412 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.007 3.658 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.544 3.761 2.659 1.00 0.00 H new ATOM 723 N GLU A 47 -5.775 2.084 -0.091 1.00 0.00 N ATOM 724 CA GLU A 47 -6.285 1.259 -1.179 1.00 0.00 C ATOM 725 C GLU A 47 -5.279 0.176 -1.559 1.00 0.00 C ATOM 726 O GLU A 47 -5.569 -1.017 -1.464 1.00 0.00 O ATOM 727 CB GLU A 47 -6.604 2.125 -2.400 1.00 0.00 C ATOM 728 CG GLU A 47 -7.358 1.385 -3.491 1.00 0.00 C ATOM 729 CD GLU A 47 -7.307 2.103 -4.826 1.00 0.00 C ATOM 730 OE1 GLU A 47 -7.499 3.337 -4.842 1.00 0.00 O ATOM 731 OE2 GLU A 47 -7.075 1.432 -5.853 1.00 0.00 O ATOM 0 H GLU A 47 -5.934 3.084 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.200 0.776 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.194 2.984 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.673 2.513 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.938 0.386 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.398 1.261 -3.189 1.00 0.00 H new ATOM 738 N HIS A 48 -4.096 0.601 -1.990 1.00 0.00 N ATOM 739 CA HIS A 48 -3.046 -0.332 -2.384 1.00 0.00 C ATOM 740 C HIS A 48 -2.716 -1.292 -1.245 1.00 0.00 C ATOM 741 O HIS A 48 -2.746 -2.510 -1.419 1.00 0.00 O ATOM 742 CB HIS A 48 -1.789 0.430 -2.805 1.00 0.00 C ATOM 743 CG HIS A 48 -0.750 -0.436 -3.446 1.00 0.00 C ATOM 744 ND1 HIS A 48 -0.934 -1.056 -4.665 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.491 -0.784 -3.033 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.148 -1.748 -4.972 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.028 -1.600 -3.998 1.00 0.00 N ATOM 0 H HIS A 48 -3.840 1.585 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.410 -0.913 -3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.070 1.221 -3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.357 0.914 -1.929 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.774 -0.990 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.970 -0.477 -2.115 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.289 -2.335 -5.867 1.00 0.00 H new ATOM 756 N TYR A 49 -2.401 -0.735 -0.081 1.00 0.00 N ATOM 757 CA TYR A 49 -2.062 -1.541 1.085 1.00 0.00 C ATOM 758 C TYR A 49 -3.028 -2.712 1.238 1.00 0.00 C ATOM 759 O TYR A 49 -2.652 -3.869 1.052 1.00 0.00 O ATOM 760 CB TYR A 49 -2.083 -0.681 2.350 1.00 0.00 C ATOM 761 CG TYR A 49 -2.026 -1.483 3.630 1.00 0.00 C ATOM 762 CD1 TYR A 49 -0.930 -2.286 3.922 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.069 -1.441 4.547 1.00 0.00 C ATOM 764 CE1 TYR A 49 -0.874 -3.022 5.089 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.021 -2.172 5.717 1.00 0.00 C ATOM 766 CZ TYR A 49 -1.922 -2.961 5.984 1.00 0.00 C ATOM 767 OH TYR A 49 -1.871 -3.693 7.149 1.00 0.00 O ATOM 0 H TYR A 49 -2.373 0.272 0.080 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.057 -1.938 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.238 0.007 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.989 -0.074 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.107 -2.335 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.932 -0.826 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.015 -3.642 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.840 -2.126 6.420 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.687 -3.537 7.669 1.00 0.00 H new ATOM 777 N GLU A 50 -4.276 -2.401 1.577 1.00 0.00 N ATOM 778 CA GLU A 50 -5.297 -3.427 1.754 1.00 0.00 C ATOM 779 C GLU A 50 -5.234 -4.457 0.630 1.00 0.00 C ATOM 780 O GLU A 50 -5.225 -5.663 0.878 1.00 0.00 O ATOM 781 CB GLU A 50 -6.688 -2.791 1.801 1.00 0.00 C ATOM 782 CG GLU A 50 -6.998 -2.103 3.120 1.00 0.00 C ATOM 783 CD GLU A 50 -7.647 -3.035 4.125 1.00 0.00 C ATOM 784 OE1 GLU A 50 -8.645 -3.694 3.765 1.00 0.00 O ATOM 785 OE2 GLU A 50 -7.157 -3.106 5.271 1.00 0.00 O ATOM 0 H GLU A 50 -4.604 -1.448 1.734 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.106 -3.935 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.774 -2.065 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.437 -3.561 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.076 -1.704 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.658 -1.255 2.937 1.00 0.00 H new ATOM 792 N PHE A 51 -5.191 -3.973 -0.607 1.00 0.00 N ATOM 793 CA PHE A 51 -5.131 -4.850 -1.770 1.00 0.00 C ATOM 794 C PHE A 51 -3.988 -5.852 -1.637 1.00 0.00 C ATOM 795 O PHE A 51 -4.136 -7.028 -1.971 1.00 0.00 O ATOM 796 CB PHE A 51 -4.957 -4.027 -3.048 1.00 0.00 C ATOM 797 CG PHE A 51 -4.543 -4.846 -4.237 1.00 0.00 C ATOM 798 CD1 PHE A 51 -3.210 -5.153 -4.454 1.00 0.00 C ATOM 799 CD2 PHE A 51 -5.489 -5.311 -5.137 1.00 0.00 C ATOM 800 CE1 PHE A 51 -2.827 -5.906 -5.548 1.00 0.00 C ATOM 801 CE2 PHE A 51 -5.112 -6.065 -6.233 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.779 -6.363 -6.438 1.00 0.00 C ATOM 0 H PHE A 51 -5.197 -2.978 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.070 -5.401 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.895 -3.520 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.211 -3.252 -2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.461 -4.800 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.533 -5.082 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.784 -6.137 -5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.859 -6.420 -6.928 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.482 -6.952 -7.293 1.00 0.00 H new ATOM 812 N LEU A 52 -2.848 -5.378 -1.147 1.00 0.00 N ATOM 813 CA LEU A 52 -1.678 -6.231 -0.970 1.00 0.00 C ATOM 814 C LEU A 52 -1.993 -7.403 -0.046 1.00 0.00 C ATOM 815 O LEU A 52 -1.699 -8.555 -0.364 1.00 0.00 O ATOM 816 CB LEU A 52 -0.512 -5.419 -0.403 1.00 0.00 C ATOM 817 CG LEU A 52 -0.014 -4.263 -1.271 1.00 0.00 C ATOM 818 CD1 LEU A 52 0.994 -3.418 -0.508 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.597 -4.790 -2.561 1.00 0.00 C ATOM 0 H LEU A 52 -2.709 -4.408 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.397 -6.627 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.812 -5.017 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.322 -6.097 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.866 -3.633 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.337 -2.600 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.524 -3.011 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.845 -4.037 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.946 -3.954 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.437 -5.443 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.154 -5.351 -3.117 1.00 0.00 H new ATOM 831 N LEU A 53 -2.596 -7.101 1.099 1.00 0.00 N ATOM 832 CA LEU A 53 -2.955 -8.129 2.070 1.00 0.00 C ATOM 833 C LEU A 53 -3.664 -9.296 1.390 1.00 0.00 C ATOM 834 O LEU A 53 -3.251 -10.448 1.522 1.00 0.00 O ATOM 835 CB LEU A 53 -3.850 -7.539 3.160 1.00 0.00 C ATOM 836 CG LEU A 53 -3.166 -6.605 4.158 1.00 0.00 C ATOM 837 CD1 LEU A 53 -2.037 -7.326 4.878 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.642 -5.362 3.452 1.00 0.00 C ATOM 0 H LEU A 53 -2.847 -6.152 1.378 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.037 -8.501 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.662 -6.993 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.303 -8.361 3.714 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.903 -6.295 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.562 -6.645 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.438 -8.185 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.300 -7.666 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.158 -4.708 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.921 -5.654 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.472 -4.833 2.983 1.00 0.00 H new ATOM 850 N ASP A 54 -4.731 -8.989 0.660 1.00 0.00 N ATOM 851 CA ASP A 54 -5.495 -10.012 -0.044 1.00 0.00 C ATOM 852 C ASP A 54 -4.657 -10.658 -1.143 1.00 0.00 C ATOM 853 O ASP A 54 -4.624 -11.881 -1.276 1.00 0.00 O ATOM 854 CB ASP A 54 -6.765 -9.407 -0.644 1.00 0.00 C ATOM 855 CG ASP A 54 -7.843 -10.445 -0.887 1.00 0.00 C ATOM 856 OD1 ASP A 54 -8.040 -11.311 -0.009 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.488 -10.393 -1.955 1.00 0.00 O ATOM 0 H ASP A 54 -5.086 -8.040 0.541 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.773 -10.782 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.150 -8.639 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.520 -8.915 -1.585 1.00 0.00 H new ATOM 862 N LYS A 55 -3.980 -9.827 -1.929 1.00 0.00 N ATOM 863 CA LYS A 55 -3.141 -10.315 -3.016 1.00 0.00 C ATOM 864 C LYS A 55 -2.181 -11.393 -2.521 1.00 0.00 C ATOM 865 O LYS A 55 -2.022 -12.434 -3.158 1.00 0.00 O ATOM 866 CB LYS A 55 -2.351 -9.160 -3.636 1.00 0.00 C ATOM 867 CG LYS A 55 -1.331 -9.607 -4.670 1.00 0.00 C ATOM 868 CD LYS A 55 -0.155 -8.647 -4.743 1.00 0.00 C ATOM 869 CE LYS A 55 0.557 -8.740 -6.084 1.00 0.00 C ATOM 870 NZ LYS A 55 1.460 -7.579 -6.314 1.00 0.00 N ATOM 0 H LYS A 55 -3.997 -8.812 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.790 -10.752 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.048 -8.463 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.838 -8.615 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.972 -10.606 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.808 -9.675 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.506 -7.627 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.548 -8.869 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.135 -9.663 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.181 -8.790 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.926 -7.680 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.905 -6.700 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.180 -7.546 -5.565 1.00 0.00 H new ATOM 884 N ALA A 56 -1.547 -11.136 -1.382 1.00 0.00 N ATOM 885 CA ALA A 56 -0.606 -12.086 -0.801 1.00 0.00 C ATOM 886 C ALA A 56 -1.228 -13.474 -0.686 1.00 0.00 C ATOM 887 O ALA A 56 -0.616 -14.472 -1.065 1.00 0.00 O ATOM 888 CB ALA A 56 -0.141 -11.600 0.563 1.00 0.00 C ATOM 0 H ALA A 56 -1.668 -10.278 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 56 0.257 -12.157 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.561 -12.319 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.350 -10.633 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.000 -11.500 1.226 1.00 0.00 H new ATOM 894 N ALA A 57 -2.448 -13.529 -0.160 1.00 0.00 N ATOM 895 CA ALA A 57 -3.153 -14.794 0.003 1.00 0.00 C ATOM 896 C ALA A 57 -3.371 -15.479 -1.342 1.00 0.00 C ATOM 897 O ALA A 57 -3.137 -16.679 -1.483 1.00 0.00 O ATOM 898 CB ALA A 57 -4.484 -14.570 0.706 1.00 0.00 C ATOM 0 H ALA A 57 -2.968 -12.712 0.160 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.536 -15.449 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.000 -15.523 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.307 -14.132 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.100 -13.894 0.113 1.00 0.00 H new ATOM 904 N GLN A 58 -3.822 -14.708 -2.327 1.00 0.00 N ATOM 905 CA GLN A 58 -4.073 -15.242 -3.660 1.00 0.00 C ATOM 906 C GLN A 58 -2.845 -15.971 -4.195 1.00 0.00 C ATOM 907 O GLN A 58 -2.955 -17.058 -4.762 1.00 0.00 O ATOM 908 CB GLN A 58 -4.470 -14.116 -4.617 1.00 0.00 C ATOM 909 CG GLN A 58 -5.769 -13.424 -4.237 1.00 0.00 C ATOM 910 CD GLN A 58 -6.957 -14.364 -4.253 1.00 0.00 C ATOM 911 OE1 GLN A 58 -7.516 -14.659 -5.310 1.00 0.00 O ATOM 912 NE2 GLN A 58 -7.351 -14.842 -3.078 1.00 0.00 N ATOM 0 H GLN A 58 -4.021 -13.713 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.894 -15.956 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.670 -13.377 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.566 -14.523 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.667 -12.990 -3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.953 -12.600 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.859 -14.571 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.145 -15.480 -3.027 1.00 0.00 H new ATOM 921 N ARG A 59 -1.677 -15.365 -4.010 1.00 0.00 N ATOM 922 CA ARG A 59 -0.428 -15.956 -4.476 1.00 0.00 C ATOM 923 C ARG A 59 -0.292 -17.396 -3.987 1.00 0.00 C ATOM 924 O ARG A 59 0.066 -18.291 -4.753 1.00 0.00 O ATOM 925 CB ARG A 59 0.764 -15.128 -3.993 1.00 0.00 C ATOM 926 CG ARG A 59 2.111 -15.713 -4.386 1.00 0.00 C ATOM 927 CD ARG A 59 3.250 -15.042 -3.635 1.00 0.00 C ATOM 928 NE ARG A 59 4.490 -15.809 -3.721 1.00 0.00 N ATOM 929 CZ ARG A 59 5.697 -15.276 -3.569 1.00 0.00 C ATOM 930 NH1 ARG A 59 5.826 -13.979 -3.324 1.00 0.00 N ATOM 931 NH2 ARG A 59 6.778 -16.040 -3.661 1.00 0.00 N ATOM 0 H ARG A 59 -1.569 -14.466 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.441 -15.960 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.683 -14.119 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.718 -15.040 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.118 -16.783 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.261 -15.594 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.413 -14.043 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.971 -14.920 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 59 4.425 -16.810 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.997 -13.389 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.754 -13.572 -3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.683 -17.038 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.704 -15.629 -3.544 1.00 0.00 H new ATOM 945 N ASP A 60 -0.580 -17.610 -2.708 1.00 0.00 N ATOM 946 CA ASP A 60 -0.491 -18.940 -2.117 1.00 0.00 C ATOM 947 C ASP A 60 -1.134 -19.983 -3.026 1.00 0.00 C ATOM 948 O ASP A 60 -2.345 -19.968 -3.245 1.00 0.00 O ATOM 949 CB ASP A 60 -1.164 -18.958 -0.744 1.00 0.00 C ATOM 950 CG ASP A 60 -1.080 -20.315 -0.075 1.00 0.00 C ATOM 951 OD1 ASP A 60 0.048 -20.827 0.090 1.00 0.00 O ATOM 952 OD2 ASP A 60 -2.141 -20.866 0.285 1.00 0.00 O ATOM 0 H ASP A 60 -0.877 -16.880 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 60 0.564 -19.188 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.695 -18.211 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.211 -18.674 -0.852 1.00 0.00 H new ATOM 957 N SER A 61 -0.314 -20.887 -3.554 1.00 0.00 N ATOM 958 CA SER A 61 -0.802 -21.934 -4.443 1.00 0.00 C ATOM 959 C SER A 61 -1.105 -23.211 -3.665 1.00 0.00 C ATOM 960 O SER A 61 -0.405 -23.551 -2.712 1.00 0.00 O ATOM 961 CB SER A 61 0.226 -22.223 -5.538 1.00 0.00 C ATOM 962 OG SER A 61 -0.127 -23.379 -6.278 1.00 0.00 O ATOM 0 H SER A 61 0.691 -20.915 -3.381 1.00 0.00 H new ATOM 0 HA SER A 61 -1.725 -21.583 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.298 -21.367 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.210 -22.361 -5.090 1.00 0.00 H new ATOM 0 HG SER A 61 0.545 -23.541 -6.973 1.00 0.00 H new ATOM 968 N GLY A 62 -2.155 -23.914 -4.078 1.00 0.00 N ATOM 969 CA GLY A 62 -2.534 -25.145 -3.409 1.00 0.00 C ATOM 970 C GLY A 62 -1.678 -26.321 -3.832 1.00 0.00 C ATOM 971 O GLY A 62 -0.939 -26.899 -3.034 1.00 0.00 O ATOM 0 H GLY A 62 -2.750 -23.653 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.452 -25.009 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.580 -25.365 -3.624 1.00 0.00 H new ATOM 975 N PRO A 63 -1.772 -26.695 -5.117 1.00 0.00 N ATOM 976 CA PRO A 63 -1.008 -27.815 -5.674 1.00 0.00 C ATOM 977 C PRO A 63 0.483 -27.508 -5.771 1.00 0.00 C ATOM 978 O PRO A 63 1.259 -28.311 -6.289 1.00 0.00 O ATOM 979 CB PRO A 63 -1.608 -27.994 -7.071 1.00 0.00 C ATOM 980 CG PRO A 63 -2.162 -26.656 -7.420 1.00 0.00 C ATOM 981 CD PRO A 63 -2.632 -26.052 -6.125 1.00 0.00 C ATOM 0 HA PRO A 63 -1.075 -28.705 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.851 -28.309 -7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.386 -28.757 -7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.403 -26.030 -7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.985 -26.747 -8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.515 -24.968 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.687 -26.259 -5.944 1.00 0.00 H new ATOM 989 N SER A 64 0.877 -26.342 -5.268 1.00 0.00 N ATOM 990 CA SER A 64 2.274 -25.929 -5.301 1.00 0.00 C ATOM 991 C SER A 64 3.201 -27.134 -5.172 1.00 0.00 C ATOM 992 O SER A 64 4.048 -27.375 -6.033 1.00 0.00 O ATOM 993 CB SER A 64 2.559 -24.930 -4.178 1.00 0.00 C ATOM 994 OG SER A 64 2.312 -25.507 -2.908 1.00 0.00 O ATOM 0 H SER A 64 0.248 -25.667 -4.833 1.00 0.00 H new ATOM 0 HA SER A 64 2.462 -25.449 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.596 -24.600 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.935 -24.046 -4.307 1.00 0.00 H new ATOM 0 HG SER A 64 2.503 -24.849 -2.207 1.00 0.00 H new ATOM 1000 N SER A 65 3.033 -27.888 -4.091 1.00 0.00 N ATOM 1001 CA SER A 65 3.857 -29.066 -3.846 1.00 0.00 C ATOM 1002 C SER A 65 3.613 -30.130 -4.912 1.00 0.00 C ATOM 1003 O SER A 65 2.484 -30.334 -5.355 1.00 0.00 O ATOM 1004 CB SER A 65 3.562 -29.641 -2.459 1.00 0.00 C ATOM 1005 OG SER A 65 4.154 -30.919 -2.300 1.00 0.00 O ATOM 0 H SER A 65 2.334 -27.705 -3.371 1.00 0.00 H new ATOM 0 HA SER A 65 4.903 -28.764 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.940 -28.964 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.484 -29.716 -2.315 1.00 0.00 H new ATOM 0 HG SER A 65 3.952 -31.264 -1.405 1.00 0.00 H new ATOM 1011 N GLY A 66 4.683 -30.807 -5.320 1.00 0.00 N ATOM 1012 CA GLY A 66 4.565 -31.841 -6.330 1.00 0.00 C ATOM 1013 C GLY A 66 5.328 -33.099 -5.964 1.00 0.00 C ATOM 1014 O GLY A 66 4.944 -33.820 -5.043 1.00 0.00 O ATOM 0 H GLY A 66 5.629 -30.657 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.513 -32.087 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.935 -31.459 -7.281 1.00 0.00 H new TER 1018 GLY A 66