USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 871 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 7 HIS :FLIP no HD1:sc= -2.74! F(o=-5.8,f=-5.2!) USER MOD Set 1.2: A 55 TYR OH : rot -36:sc= -2.42! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= 0.549 K(o=0.55,f=-2.9!) USER MOD Single : A 11 THR OG1 : rot -29:sc= 0.82 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.742 K(o=-0.74,f=-3.9!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0385 K(o=-0.039,f=-1.1) USER MOD Single : A 29 THR OG1 : rot 176:sc= 0.0227 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 145:sc= -2.19 (180deg=-5.51!) USER MOD Single : A 42 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.4!) USER MOD Single : A 46 TYR OH : rot 1:sc= -1.17! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 155:sc= -2.32 (180deg=-3.78!) USER MOD Single : A 57 SER OG : rot 150:sc= -1.43 USER MOD Single : A 59 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.28) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.36) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= -1.26 (180deg=-3.47!) USER MOD Single : A 76 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= -0.195 (180deg=-0.773) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 45:sc= -0.206 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= -0.485 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot -67:sc= 0.938 USER MOD Single : B 102 SER OG : rot 130:sc= 0 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.408 -24.079 -9.199 1.00 0.00 N ATOM 2 CA GLY A 1 -25.760 -24.365 -10.509 1.00 0.00 C ATOM 3 C GLY A 1 -24.250 -24.237 -10.449 1.00 0.00 C ATOM 4 O GLY A 1 -23.724 -23.194 -10.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.439 -24.180 -9.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.058 -24.749 -8.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.180 -23.108 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.024 -25.373 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.150 -23.679 -11.261 1.00 0.00 H new ATOM 10 N VAL A 2 -23.553 -25.302 -10.832 1.00 0.00 N ATOM 11 CA VAL A 2 -22.094 -25.304 -10.821 1.00 0.00 C ATOM 12 C VAL A 2 -21.559 -25.053 -9.415 1.00 0.00 C ATOM 13 O VAL A 2 -22.315 -24.710 -8.506 1.00 0.00 O ATOM 14 CB VAL A 2 -21.510 -24.241 -11.776 1.00 0.00 C ATOM 15 CG1 VAL A 2 -20.144 -24.672 -12.286 1.00 0.00 C ATOM 16 CG2 VAL A 2 -22.455 -23.974 -12.939 1.00 0.00 C ATOM 0 H VAL A 2 -23.974 -26.174 -11.153 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.781 -26.291 -11.162 1.00 0.00 H new ATOM 0 HB VAL A 2 -21.393 -23.313 -11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.749 -23.910 -12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.465 -24.800 -11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.237 -25.616 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.019 -23.221 -13.596 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.614 -24.896 -13.498 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.410 -23.613 -12.557 1.00 0.00 H new ATOM 26 N ARG A 3 -20.252 -25.223 -9.243 1.00 0.00 N ATOM 27 CA ARG A 3 -19.618 -25.013 -7.947 1.00 0.00 C ATOM 28 C ARG A 3 -18.600 -23.882 -8.016 1.00 0.00 C ATOM 29 O ARG A 3 -17.593 -23.901 -7.309 1.00 0.00 O ATOM 30 CB ARG A 3 -18.930 -26.298 -7.475 1.00 0.00 C ATOM 31 CG ARG A 3 -19.798 -27.154 -6.566 1.00 0.00 C ATOM 32 CD ARG A 3 -19.574 -28.636 -6.814 1.00 0.00 C ATOM 33 NE ARG A 3 -18.670 -29.226 -5.829 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.579 -30.533 -5.594 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.335 -31.390 -6.270 1.00 0.00 N ATOM 36 NH2 ARG A 3 -17.732 -30.985 -4.681 1.00 0.00 N ATOM 0 H ARG A 3 -19.612 -25.506 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.395 -24.739 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.640 -26.886 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.013 -26.037 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -19.576 -26.921 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.848 -26.911 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.531 -29.157 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.163 -28.778 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.073 -28.599 -5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.990 -31.048 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.261 -32.391 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.149 -30.331 -4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.663 -31.987 -4.501 1.00 0.00 H new ATOM 50 N LYS A 4 -18.865 -22.894 -8.870 1.00 0.00 N ATOM 51 CA LYS A 4 -17.967 -21.760 -9.021 1.00 0.00 C ATOM 52 C LYS A 4 -16.585 -22.186 -9.517 1.00 0.00 C ATOM 53 O LYS A 4 -15.682 -21.353 -9.578 1.00 0.00 O ATOM 54 CB LYS A 4 -17.798 -21.035 -7.680 1.00 0.00 C ATOM 55 CG LYS A 4 -19.033 -20.295 -7.201 1.00 0.00 C ATOM 56 CD LYS A 4 -18.650 -19.113 -6.321 1.00 0.00 C ATOM 57 CE LYS A 4 -18.726 -19.453 -4.842 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.036 -19.066 -4.248 1.00 0.00 N ATOM 0 H LYS A 4 -19.693 -22.860 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.416 -21.097 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.510 -21.764 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.976 -20.324 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.607 -19.944 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.676 -20.976 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.638 -18.791 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.312 -18.274 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.569 -20.523 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.922 -18.943 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.046 -19.315 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.176 -18.041 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.802 -19.572 -4.737 1.00 0.00 H new ATOM 72 N GLY A 5 -16.392 -23.478 -9.841 1.00 0.00 N ATOM 73 CA GLY A 5 -15.071 -23.926 -10.277 1.00 0.00 C ATOM 74 C GLY A 5 -14.007 -23.184 -9.499 1.00 0.00 C ATOM 75 O GLY A 5 -13.028 -22.682 -10.053 1.00 0.00 O ATOM 0 H GLY A 5 -17.110 -24.202 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.969 -25.000 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.948 -23.746 -11.345 1.00 0.00 H new ATOM 79 N TRP A 6 -14.283 -23.046 -8.209 1.00 0.00 N ATOM 80 CA TRP A 6 -13.452 -22.282 -7.296 1.00 0.00 C ATOM 81 C TRP A 6 -12.144 -22.955 -6.888 1.00 0.00 C ATOM 82 O TRP A 6 -11.063 -22.434 -7.158 1.00 0.00 O ATOM 83 CB TRP A 6 -14.280 -22.002 -6.042 1.00 0.00 C ATOM 84 CG TRP A 6 -14.377 -20.557 -5.718 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.505 -19.828 -5.501 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.283 -19.667 -5.581 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.172 -18.525 -5.231 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.805 -18.403 -5.277 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.909 -19.826 -5.688 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -12.988 -17.298 -5.078 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.095 -18.741 -5.493 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.634 -17.485 -5.188 1.00 0.00 C ATOM 0 H TRP A 6 -15.099 -23.467 -7.765 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.155 -21.377 -7.826 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.283 -22.405 -6.179 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.837 -22.529 -5.197 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.512 -20.217 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.830 -17.772 -5.030 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.487 -20.792 -5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.403 -16.328 -4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.024 -18.856 -5.576 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -10.970 -16.647 -5.036 1.00 0.00 H new ATOM 103 N HIS A 7 -12.239 -24.075 -6.194 1.00 0.00 N ATOM 104 CA HIS A 7 -11.046 -24.757 -5.698 1.00 0.00 C ATOM 105 C HIS A 7 -10.356 -25.603 -6.761 1.00 0.00 C ATOM 106 O HIS A 7 -9.226 -26.050 -6.564 1.00 0.00 O ATOM 107 CB HIS A 7 -11.423 -25.651 -4.526 1.00 0.00 C ATOM 108 CG HIS A 7 -11.470 -24.939 -3.210 1.00 0.00 C ATOM 109 ND1 HIS A 7 -10.559 -24.144 -2.599 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -12.549 -25.009 -2.353 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -11.100 -23.753 -1.400 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -12.301 -24.288 -1.275 1.00 0.00 N flip ATOM 0 H HIS A 7 -13.120 -24.533 -5.960 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.344 -23.981 -5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.398 -26.097 -4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.705 -26.469 -4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.456 -25.567 -2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.621 -23.111 -0.675 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.930 -24.165 -0.481 1.00 0.00 H new ATOM 121 N GLU A 8 -11.039 -25.846 -7.867 1.00 0.00 N ATOM 122 CA GLU A 8 -10.483 -26.674 -8.941 1.00 0.00 C ATOM 123 C GLU A 8 -9.030 -26.309 -9.237 1.00 0.00 C ATOM 124 O GLU A 8 -8.172 -27.187 -9.330 1.00 0.00 O ATOM 125 CB GLU A 8 -11.308 -26.541 -10.222 1.00 0.00 C ATOM 126 CG GLU A 8 -11.985 -25.191 -10.389 1.00 0.00 C ATOM 127 CD GLU A 8 -11.802 -24.613 -11.780 1.00 0.00 C ATOM 128 OE1 GLU A 8 -12.488 -25.082 -12.713 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.972 -23.693 -11.935 1.00 0.00 O ATOM 0 H GLU A 8 -11.976 -25.487 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.521 -27.707 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.658 -26.718 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.070 -27.321 -10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.050 -25.295 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.582 -24.494 -9.654 1.00 0.00 H new ATOM 136 N HIS A 9 -8.755 -25.020 -9.385 1.00 0.00 N ATOM 137 CA HIS A 9 -7.395 -24.572 -9.672 1.00 0.00 C ATOM 138 C HIS A 9 -6.922 -23.508 -8.685 1.00 0.00 C ATOM 139 O HIS A 9 -5.981 -22.765 -8.967 1.00 0.00 O ATOM 140 CB HIS A 9 -7.297 -24.043 -11.103 1.00 0.00 C ATOM 141 CG HIS A 9 -6.892 -25.086 -12.100 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.942 -26.438 -11.836 1.00 0.00 N ATOM 143 CD2 HIS A 9 -6.428 -24.967 -13.367 1.00 0.00 C ATOM 144 CE1 HIS A 9 -6.525 -27.106 -12.897 1.00 0.00 C ATOM 145 NE2 HIS A 9 -6.207 -26.237 -13.839 1.00 0.00 N ATOM 0 H HIS A 9 -9.445 -24.272 -9.313 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.740 -25.437 -9.563 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.262 -23.628 -11.395 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.576 -23.226 -11.131 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.252 -26.857 -10.959 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.263 -24.045 -13.905 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.456 -28.181 -12.980 1.00 0.00 H new ATOM 154 N VAL A 10 -7.553 -23.458 -7.520 1.00 0.00 N ATOM 155 CA VAL A 10 -7.164 -22.507 -6.487 1.00 0.00 C ATOM 156 C VAL A 10 -6.509 -23.251 -5.336 1.00 0.00 C ATOM 157 O VAL A 10 -5.409 -22.910 -4.903 1.00 0.00 O ATOM 158 CB VAL A 10 -8.365 -21.682 -5.973 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.972 -20.845 -4.765 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.899 -20.801 -7.091 1.00 0.00 C ATOM 0 H VAL A 10 -8.334 -24.063 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.456 -21.805 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.152 -22.367 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.835 -20.274 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.629 -21.500 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.170 -20.161 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.746 -20.221 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.114 -20.124 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.221 -21.426 -7.924 1.00 0.00 H new ATOM 170 N THR A 11 -7.184 -24.292 -4.865 1.00 0.00 N ATOM 171 CA THR A 11 -6.666 -25.122 -3.784 1.00 0.00 C ATOM 172 C THR A 11 -6.173 -24.276 -2.611 1.00 0.00 C ATOM 173 O THR A 11 -6.258 -23.049 -2.633 1.00 0.00 O ATOM 174 CB THR A 11 -5.533 -26.011 -4.310 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.293 -25.325 -4.264 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.745 -26.482 -5.739 1.00 0.00 C ATOM 0 H THR A 11 -8.096 -24.583 -5.217 1.00 0.00 H new ATOM 0 HA THR A 11 -7.480 -25.748 -3.419 1.00 0.00 H new ATOM 0 HB THR A 11 -5.528 -26.883 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.448 -24.362 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.905 -27.106 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.667 -27.060 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.815 -25.618 -6.400 1.00 0.00 H new ATOM 184 N GLN A 12 -5.664 -24.946 -1.584 1.00 0.00 N ATOM 185 CA GLN A 12 -5.162 -24.265 -0.397 1.00 0.00 C ATOM 186 C GLN A 12 -3.812 -23.602 -0.658 1.00 0.00 C ATOM 187 O GLN A 12 -3.628 -22.417 -0.381 1.00 0.00 O ATOM 188 CB GLN A 12 -5.040 -25.256 0.763 1.00 0.00 C ATOM 189 CG GLN A 12 -5.872 -24.872 1.973 1.00 0.00 C ATOM 190 CD GLN A 12 -5.879 -25.946 3.043 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.331 -27.066 2.809 1.00 0.00 O ATOM 192 NE2 GLN A 12 -5.378 -25.607 4.225 1.00 0.00 N ATOM 0 H GLN A 12 -5.588 -25.963 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.875 -23.483 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.345 -26.245 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.994 -25.330 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.484 -23.946 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.896 -24.673 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.014 -24.666 4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.357 -26.288 4.984 1.00 0.00 H new ATOM 201 N ASP A 13 -2.866 -24.380 -1.175 1.00 0.00 N ATOM 202 CA ASP A 13 -1.525 -23.875 -1.452 1.00 0.00 C ATOM 203 C ASP A 13 -1.555 -22.676 -2.398 1.00 0.00 C ATOM 204 O ASP A 13 -1.034 -21.609 -2.074 1.00 0.00 O ATOM 205 CB ASP A 13 -0.658 -24.984 -2.051 1.00 0.00 C ATOM 206 CG ASP A 13 0.805 -24.596 -2.129 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.121 -23.612 -2.830 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.635 -25.275 -1.489 1.00 0.00 O ATOM 0 H ASP A 13 -3.003 -25.363 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.096 -23.545 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.760 -25.886 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.021 -25.225 -3.050 1.00 0.00 H new ATOM 213 N LEU A 14 -2.158 -22.857 -3.568 1.00 0.00 N ATOM 214 CA LEU A 14 -2.240 -21.785 -4.556 1.00 0.00 C ATOM 215 C LEU A 14 -2.964 -20.568 -3.986 1.00 0.00 C ATOM 216 O LEU A 14 -2.693 -19.433 -4.381 1.00 0.00 O ATOM 217 CB LEU A 14 -2.948 -22.277 -5.820 1.00 0.00 C ATOM 218 CG LEU A 14 -2.127 -22.161 -7.108 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.400 -23.342 -8.025 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.436 -20.851 -7.817 1.00 0.00 C ATOM 0 H LEU A 14 -2.596 -23.732 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.224 -21.487 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.228 -23.321 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.872 -21.713 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.069 -22.171 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.808 -23.241 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.130 -24.268 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.459 -23.365 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.845 -20.783 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.496 -20.814 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.189 -20.016 -7.162 1.00 0.00 H new ATOM 232 N ARG A 15 -3.885 -20.808 -3.060 1.00 0.00 N ATOM 233 CA ARG A 15 -4.643 -19.728 -2.440 1.00 0.00 C ATOM 234 C ARG A 15 -3.746 -18.877 -1.548 1.00 0.00 C ATOM 235 O ARG A 15 -3.713 -17.653 -1.670 1.00 0.00 O ATOM 236 CB ARG A 15 -5.807 -20.295 -1.623 1.00 0.00 C ATOM 237 CG ARG A 15 -6.645 -19.229 -0.934 1.00 0.00 C ATOM 238 CD ARG A 15 -6.264 -19.081 0.530 1.00 0.00 C ATOM 239 NE ARG A 15 -7.057 -19.953 1.393 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.085 -19.855 2.720 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.366 -18.927 3.341 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.833 -20.689 3.430 1.00 0.00 N ATOM 0 H ARG A 15 -4.125 -21.740 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.041 -19.095 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.449 -20.881 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.413 -20.978 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.512 -18.275 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.701 -19.488 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.206 -19.313 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.402 -18.044 0.837 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.622 -20.679 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.788 -18.284 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.392 -18.858 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.386 -21.405 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.855 -20.615 4.447 1.00 0.00 H new ATOM 256 N SER A 16 -3.018 -19.534 -0.649 1.00 0.00 N ATOM 257 CA SER A 16 -2.119 -18.838 0.265 1.00 0.00 C ATOM 258 C SER A 16 -1.061 -18.051 -0.503 1.00 0.00 C ATOM 259 O SER A 16 -0.590 -17.012 -0.041 1.00 0.00 O ATOM 260 CB SER A 16 -1.445 -19.836 1.208 1.00 0.00 C ATOM 261 OG SER A 16 -2.191 -19.992 2.403 1.00 0.00 O ATOM 0 H SER A 16 -3.034 -20.547 -0.534 1.00 0.00 H new ATOM 0 HA SER A 16 -2.711 -18.136 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.344 -20.800 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.438 -19.493 1.446 1.00 0.00 H new ATOM 0 HG SER A 16 -1.740 -20.636 2.988 1.00 0.00 H new ATOM 267 N HIS A 17 -0.691 -18.555 -1.675 1.00 0.00 N ATOM 268 CA HIS A 17 0.313 -17.900 -2.506 1.00 0.00 C ATOM 269 C HIS A 17 -0.177 -16.536 -2.982 1.00 0.00 C ATOM 270 O HIS A 17 0.616 -15.617 -3.184 1.00 0.00 O ATOM 271 CB HIS A 17 0.661 -18.778 -3.710 1.00 0.00 C ATOM 272 CG HIS A 17 1.817 -19.698 -3.464 1.00 0.00 C ATOM 273 ND1 HIS A 17 1.689 -20.915 -2.829 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.129 -19.573 -3.774 1.00 0.00 C ATOM 275 CE1 HIS A 17 2.872 -21.498 -2.757 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.762 -20.706 -3.324 1.00 0.00 N ATOM 0 H HIS A 17 -1.071 -19.415 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 17 1.208 -17.753 -1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.213 -19.370 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.891 -18.138 -4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.817 -21.304 -2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.591 -18.739 -4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.076 -22.460 -2.310 1.00 0.00 H new ATOM 285 N LEU A 18 -1.489 -16.411 -3.159 1.00 0.00 N ATOM 286 CA LEU A 18 -2.083 -15.159 -3.612 1.00 0.00 C ATOM 287 C LEU A 18 -2.252 -14.183 -2.451 1.00 0.00 C ATOM 288 O LEU A 18 -2.214 -12.967 -2.640 1.00 0.00 O ATOM 289 CB LEU A 18 -3.436 -15.422 -4.275 1.00 0.00 C ATOM 290 CG LEU A 18 -3.377 -15.704 -5.777 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.777 -15.889 -6.341 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.653 -14.579 -6.502 1.00 0.00 C ATOM 0 H LEU A 18 -2.160 -17.161 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.410 -14.711 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.907 -16.271 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.079 -14.558 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.820 -16.628 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.715 -16.089 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.262 -16.728 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.359 -14.983 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.620 -14.796 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.183 -13.641 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.637 -14.493 -6.118 1.00 0.00 H new ATOM 304 N VAL A 19 -2.439 -14.722 -1.251 1.00 0.00 N ATOM 305 CA VAL A 19 -2.614 -13.896 -0.061 1.00 0.00 C ATOM 306 C VAL A 19 -1.412 -12.980 0.153 1.00 0.00 C ATOM 307 O VAL A 19 -1.546 -11.880 0.690 1.00 0.00 O ATOM 308 CB VAL A 19 -2.821 -14.761 1.198 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.116 -13.886 2.408 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.938 -15.768 0.976 1.00 0.00 C ATOM 0 H VAL A 19 -2.473 -15.726 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.505 -13.289 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.900 -15.310 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.259 -14.516 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.280 -13.208 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.021 -13.306 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.070 -16.370 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.865 -15.240 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.681 -16.418 0.139 1.00 0.00 H new ATOM 320 N HIS A 20 -0.239 -13.441 -0.270 1.00 0.00 N ATOM 321 CA HIS A 20 0.985 -12.662 -0.125 1.00 0.00 C ATOM 322 C HIS A 20 0.888 -11.346 -0.892 1.00 0.00 C ATOM 323 O HIS A 20 1.512 -10.353 -0.521 1.00 0.00 O ATOM 324 CB HIS A 20 2.188 -13.466 -0.620 1.00 0.00 C ATOM 325 CG HIS A 20 3.505 -12.833 -0.297 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.854 -12.429 0.975 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.563 -12.535 -1.087 1.00 0.00 C ATOM 328 CE1 HIS A 20 5.069 -11.908 0.952 1.00 0.00 C ATOM 329 NE2 HIS A 20 5.520 -11.962 -0.287 1.00 0.00 N ATOM 0 H HIS A 20 -0.111 -14.350 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 20 1.118 -12.436 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.155 -14.462 -0.179 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.110 -13.593 -1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.640 -12.715 -2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.601 -11.507 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.433 -11.631 -0.600 1.00 0.00 H new ATOM 338 N LYS A 21 0.099 -11.346 -1.964 1.00 0.00 N ATOM 339 CA LYS A 21 -0.079 -10.153 -2.782 1.00 0.00 C ATOM 340 C LYS A 21 -0.609 -8.993 -1.944 1.00 0.00 C ATOM 341 O LYS A 21 -0.154 -7.857 -2.080 1.00 0.00 O ATOM 342 CB LYS A 21 -1.035 -10.442 -3.942 1.00 0.00 C ATOM 343 CG LYS A 21 -0.522 -9.956 -5.288 1.00 0.00 C ATOM 344 CD LYS A 21 -1.149 -10.730 -6.436 1.00 0.00 C ATOM 345 CE LYS A 21 -0.302 -10.644 -7.695 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.716 -11.649 -8.713 1.00 0.00 N ATOM 0 H LYS A 21 -0.426 -12.159 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 21 0.893 -9.870 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.213 -11.516 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.996 -9.970 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.742 -8.894 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.562 -10.063 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.270 -11.774 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.145 -10.338 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.383 -9.643 -8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.746 -10.798 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.114 -11.557 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.615 -12.606 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.709 -11.487 -8.977 1.00 0.00 H new ATOM 360 N LEU A 22 -1.570 -9.289 -1.074 1.00 0.00 N ATOM 361 CA LEU A 22 -2.158 -8.271 -0.212 1.00 0.00 C ATOM 362 C LEU A 22 -1.105 -7.675 0.717 1.00 0.00 C ATOM 363 O LEU A 22 -1.147 -6.489 1.040 1.00 0.00 O ATOM 364 CB LEU A 22 -3.302 -8.868 0.612 1.00 0.00 C ATOM 365 CG LEU A 22 -4.677 -8.816 -0.057 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.137 -7.376 -0.221 1.00 0.00 C ATOM 367 CD2 LEU A 22 -4.641 -9.524 -1.402 1.00 0.00 C ATOM 0 H LEU A 22 -1.957 -10.224 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.553 -7.476 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.063 -9.907 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.358 -8.340 1.564 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.392 -9.332 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.117 -7.359 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.202 -6.901 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.422 -6.834 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.627 -9.478 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.913 -9.036 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.357 -10.566 -1.257 1.00 0.00 H new ATOM 379 N VAL A 23 -0.161 -8.509 1.141 1.00 0.00 N ATOM 380 CA VAL A 23 0.905 -8.069 2.031 1.00 0.00 C ATOM 381 C VAL A 23 1.928 -7.220 1.283 1.00 0.00 C ATOM 382 O VAL A 23 2.558 -6.335 1.862 1.00 0.00 O ATOM 383 CB VAL A 23 1.623 -9.268 2.680 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.629 -8.792 3.717 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.615 -10.220 3.304 1.00 0.00 C ATOM 0 H VAL A 23 -0.113 -9.494 0.882 1.00 0.00 H new ATOM 0 HA VAL A 23 0.440 -7.468 2.812 1.00 0.00 H new ATOM 0 HB VAL A 23 2.165 -9.807 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.126 -9.653 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.371 -8.153 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.112 -8.228 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.141 -11.060 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.043 -9.694 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.062 -10.589 2.534 1.00 0.00 H new ATOM 395 N GLN A 24 2.088 -7.496 -0.008 1.00 0.00 N ATOM 396 CA GLN A 24 3.034 -6.757 -0.836 1.00 0.00 C ATOM 397 C GLN A 24 2.442 -5.426 -1.291 1.00 0.00 C ATOM 398 O GLN A 24 3.169 -4.461 -1.528 1.00 0.00 O ATOM 399 CB GLN A 24 3.436 -7.591 -2.055 1.00 0.00 C ATOM 400 CG GLN A 24 4.859 -7.337 -2.523 1.00 0.00 C ATOM 401 CD GLN A 24 5.357 -8.403 -3.480 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.994 -9.574 -3.366 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.192 -8.002 -4.430 1.00 0.00 N ATOM 0 H GLN A 24 1.575 -8.226 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 24 3.919 -6.552 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.325 -8.648 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.749 -7.377 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.909 -6.364 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.520 -7.294 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.466 -7.021 -4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.560 -8.675 -5.103 1.00 0.00 H new ATOM 412 N ALA A 25 1.119 -5.380 -1.410 1.00 0.00 N ATOM 413 CA ALA A 25 0.432 -4.167 -1.837 1.00 0.00 C ATOM 414 C ALA A 25 0.725 -3.007 -0.892 1.00 0.00 C ATOM 415 O ALA A 25 1.363 -2.027 -1.276 1.00 0.00 O ATOM 416 CB ALA A 25 -1.067 -4.413 -1.925 1.00 0.00 C ATOM 0 H ALA A 25 0.502 -6.169 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 25 0.804 -3.898 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.568 -3.499 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.264 -5.206 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.445 -4.710 -0.947 1.00 0.00 H new ATOM 422 N ILE A 26 0.253 -3.124 0.345 1.00 0.00 N ATOM 423 CA ILE A 26 0.464 -2.084 1.345 1.00 0.00 C ATOM 424 C ILE A 26 1.949 -1.904 1.644 1.00 0.00 C ATOM 425 O ILE A 26 2.395 -0.806 1.980 1.00 0.00 O ATOM 426 CB ILE A 26 -0.280 -2.405 2.656 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.750 -2.720 2.370 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.162 -1.243 3.632 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.048 -4.202 2.299 1.00 0.00 C ATOM 0 H ILE A 26 -0.278 -3.928 0.679 1.00 0.00 H new ATOM 0 HA ILE A 26 0.065 -1.159 0.929 1.00 0.00 H new ATOM 0 HB ILE A 26 0.179 -3.283 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.367 -2.270 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.036 -2.255 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.693 -1.486 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.889 -1.061 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.598 -0.348 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.108 -4.351 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.457 -4.654 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.794 -4.670 3.250 1.00 0.00 H new ATOM 441 N PHE A 27 2.709 -2.987 1.522 1.00 0.00 N ATOM 442 CA PHE A 27 4.144 -2.946 1.779 1.00 0.00 C ATOM 443 C PHE A 27 4.896 -3.864 0.818 1.00 0.00 C ATOM 444 O PHE A 27 5.187 -5.015 1.146 1.00 0.00 O ATOM 445 CB PHE A 27 4.436 -3.351 3.225 1.00 0.00 C ATOM 446 CG PHE A 27 5.535 -2.550 3.862 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.721 -2.316 3.185 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.382 -2.033 5.139 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.734 -1.579 3.768 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.393 -1.295 5.727 1.00 0.00 C ATOM 451 CZ PHE A 27 7.570 -1.068 5.041 1.00 0.00 C ATOM 0 H PHE A 27 2.356 -3.903 1.247 1.00 0.00 H new ATOM 0 HA PHE A 27 4.488 -1.924 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.527 -3.239 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.705 -4.407 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.855 -2.714 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.464 -2.208 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.653 -1.403 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.262 -0.896 6.722 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.361 -0.492 5.499 1.00 0.00 H new ATOM 461 N PRO A 28 5.220 -3.366 -0.387 1.00 0.00 N ATOM 462 CA PRO A 28 5.941 -4.147 -1.397 1.00 0.00 C ATOM 463 C PRO A 28 7.396 -4.392 -1.012 1.00 0.00 C ATOM 464 O PRO A 28 7.899 -5.510 -1.120 1.00 0.00 O ATOM 465 CB PRO A 28 5.858 -3.273 -2.649 1.00 0.00 C ATOM 466 CG PRO A 28 5.701 -1.885 -2.133 1.00 0.00 C ATOM 467 CD PRO A 28 4.910 -2.003 -0.859 1.00 0.00 C ATOM 0 HA PRO A 28 5.511 -5.140 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.756 -3.369 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.014 -3.560 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.672 -1.425 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.183 -1.256 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.207 -1.249 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.842 -1.872 -1.036 1.00 0.00 H new ATOM 475 N THR A 29 8.068 -3.336 -0.563 1.00 0.00 N ATOM 476 CA THR A 29 9.466 -3.437 -0.161 1.00 0.00 C ATOM 477 C THR A 29 9.597 -4.151 1.182 1.00 0.00 C ATOM 478 O THR A 29 8.719 -4.046 2.038 1.00 0.00 O ATOM 479 CB THR A 29 10.095 -2.045 -0.075 1.00 0.00 C ATOM 480 OG1 THR A 29 9.237 -1.148 0.607 1.00 0.00 O ATOM 481 CG2 THR A 29 10.405 -1.443 -1.429 1.00 0.00 C ATOM 0 H THR A 29 7.668 -2.403 -0.469 1.00 0.00 H new ATOM 0 HA THR A 29 9.993 -4.021 -0.915 1.00 0.00 H new ATOM 0 HB THR A 29 11.031 -2.185 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.682 -0.281 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.849 -0.456 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.105 -2.087 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.485 -1.352 -2.006 1.00 0.00 H new ATOM 489 N PRO A 30 10.702 -4.890 1.386 1.00 0.00 N ATOM 490 CA PRO A 30 10.943 -5.622 2.632 1.00 0.00 C ATOM 491 C PRO A 30 11.269 -4.692 3.796 1.00 0.00 C ATOM 492 O PRO A 30 11.896 -3.648 3.613 1.00 0.00 O ATOM 493 CB PRO A 30 12.146 -6.503 2.299 1.00 0.00 C ATOM 494 CG PRO A 30 12.863 -5.772 1.219 1.00 0.00 C ATOM 495 CD PRO A 30 11.801 -5.069 0.417 1.00 0.00 C ATOM 0 HA PRO A 30 10.064 -6.182 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.784 -6.647 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.832 -7.492 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.573 -5.058 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.432 -6.460 0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.156 -4.113 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.487 -5.663 -0.441 1.00 0.00 H new ATOM 503 N ASP A 31 10.840 -5.079 4.993 1.00 0.00 N ATOM 504 CA ASP A 31 11.086 -4.281 6.188 1.00 0.00 C ATOM 505 C ASP A 31 11.117 -5.164 7.434 1.00 0.00 C ATOM 506 O ASP A 31 10.080 -5.419 8.046 1.00 0.00 O ATOM 507 CB ASP A 31 10.009 -3.205 6.337 1.00 0.00 C ATOM 508 CG ASP A 31 10.425 -1.881 5.726 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.477 -1.793 4.481 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.699 -0.933 6.491 1.00 0.00 O ATOM 0 H ASP A 31 10.320 -5.940 5.161 1.00 0.00 H new ATOM 0 HA ASP A 31 12.058 -3.800 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.089 -3.548 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.788 -3.060 7.394 1.00 0.00 H new ATOM 515 N PRO A 32 12.310 -5.644 7.828 1.00 0.00 N ATOM 516 CA PRO A 32 12.461 -6.501 9.009 1.00 0.00 C ATOM 517 C PRO A 32 12.052 -5.788 10.294 1.00 0.00 C ATOM 518 O PRO A 32 11.671 -6.426 11.275 1.00 0.00 O ATOM 519 CB PRO A 32 13.957 -6.834 9.032 1.00 0.00 C ATOM 520 CG PRO A 32 14.604 -5.772 8.211 1.00 0.00 C ATOM 521 CD PRO A 32 13.600 -5.392 7.162 1.00 0.00 C ATOM 0 HA PRO A 32 11.822 -7.382 8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.345 -6.836 10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.147 -7.824 8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.871 -4.912 8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.525 -6.137 7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.703 -4.348 6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.712 -5.993 6.260 1.00 0.00 H new ATOM 529 N ALA A 33 12.132 -4.461 10.280 1.00 0.00 N ATOM 530 CA ALA A 33 11.768 -3.662 11.442 1.00 0.00 C ATOM 531 C ALA A 33 10.255 -3.501 11.543 1.00 0.00 C ATOM 532 O ALA A 33 9.712 -3.320 12.632 1.00 0.00 O ATOM 533 CB ALA A 33 12.443 -2.299 11.378 1.00 0.00 C ATOM 0 H ALA A 33 12.446 -3.917 9.476 1.00 0.00 H new ATOM 0 HA ALA A 33 12.113 -4.184 12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.162 -1.712 12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.525 -2.429 11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.126 -1.778 10.475 1.00 0.00 H new ATOM 539 N ALA A 34 9.579 -3.566 10.399 1.00 0.00 N ATOM 540 CA ALA A 34 8.128 -3.427 10.362 1.00 0.00 C ATOM 541 C ALA A 34 7.449 -4.564 11.116 1.00 0.00 C ATOM 542 O ALA A 34 6.395 -4.376 11.723 1.00 0.00 O ATOM 543 CB ALA A 34 7.639 -3.379 8.922 1.00 0.00 C ATOM 0 H ALA A 34 10.013 -3.714 9.488 1.00 0.00 H new ATOM 0 HA ALA A 34 7.864 -2.491 10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.554 -3.275 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.091 -2.528 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.921 -4.300 8.411 1.00 0.00 H new ATOM 549 N LEU A 35 8.060 -5.744 11.076 1.00 0.00 N ATOM 550 CA LEU A 35 7.513 -6.911 11.758 1.00 0.00 C ATOM 551 C LEU A 35 7.367 -6.642 13.252 1.00 0.00 C ATOM 552 O LEU A 35 6.465 -7.170 13.903 1.00 0.00 O ATOM 553 CB LEU A 35 8.410 -8.130 11.531 1.00 0.00 C ATOM 554 CG LEU A 35 8.883 -8.329 10.089 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.609 -9.657 9.945 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.706 -8.256 9.127 1.00 0.00 C ATOM 0 H LEU A 35 8.934 -5.917 10.579 1.00 0.00 H new ATOM 0 HA LEU A 35 6.526 -7.116 11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.285 -8.043 12.175 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.870 -9.023 11.846 1.00 0.00 H new ATOM 0 HG LEU A 35 9.580 -7.528 9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.938 -9.782 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.475 -9.672 10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.935 -10.471 10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.061 -8.400 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.985 -9.036 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.228 -7.280 9.211 1.00 0.00 H new ATOM 568 N LYS A 36 8.257 -5.814 13.786 1.00 0.00 N ATOM 569 CA LYS A 36 8.227 -5.469 15.202 1.00 0.00 C ATOM 570 C LYS A 36 7.266 -4.312 15.459 1.00 0.00 C ATOM 571 O LYS A 36 6.755 -4.152 16.567 1.00 0.00 O ATOM 572 CB LYS A 36 9.631 -5.100 15.688 1.00 0.00 C ATOM 573 CG LYS A 36 9.890 -5.473 17.138 1.00 0.00 C ATOM 574 CD LYS A 36 11.097 -4.737 17.696 1.00 0.00 C ATOM 575 CE LYS A 36 10.775 -3.279 17.984 1.00 0.00 C ATOM 576 NZ LYS A 36 10.081 -3.111 19.290 1.00 0.00 N ATOM 0 H LYS A 36 9.009 -5.369 13.259 1.00 0.00 H new ATOM 0 HA LYS A 36 7.876 -6.339 15.756 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.367 -5.597 15.057 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.779 -4.027 15.566 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.010 -5.239 17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.051 -6.548 17.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.431 -5.225 18.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.921 -4.795 16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.697 -2.697 17.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.148 -2.881 17.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.879 -2.103 19.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.189 -3.645 19.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.689 -3.467 20.055 1.00 0.00 H new ATOM 590 N ASP A 37 7.023 -3.507 14.427 1.00 0.00 N ATOM 591 CA ASP A 37 6.123 -2.366 14.546 1.00 0.00 C ATOM 592 C ASP A 37 4.713 -2.823 14.909 1.00 0.00 C ATOM 593 O ASP A 37 4.271 -3.893 14.495 1.00 0.00 O ATOM 594 CB ASP A 37 6.094 -1.574 13.237 1.00 0.00 C ATOM 595 CG ASP A 37 7.132 -0.470 13.207 1.00 0.00 C ATOM 596 OD1 ASP A 37 8.268 -0.734 12.760 1.00 0.00 O ATOM 597 OD2 ASP A 37 6.809 0.660 13.630 1.00 0.00 O ATOM 0 H ASP A 37 7.436 -3.625 13.502 1.00 0.00 H new ATOM 0 HA ASP A 37 6.494 -1.722 15.343 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.265 -2.252 12.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.103 -1.141 13.099 1.00 0.00 H new ATOM 602 N ARG A 38 4.012 -2.001 15.684 1.00 0.00 N ATOM 603 CA ARG A 38 2.652 -2.320 16.103 1.00 0.00 C ATOM 604 C ARG A 38 1.674 -2.167 14.942 1.00 0.00 C ATOM 605 O ARG A 38 0.665 -2.869 14.873 1.00 0.00 O ATOM 606 CB ARG A 38 2.230 -1.418 17.264 1.00 0.00 C ATOM 607 CG ARG A 38 3.060 -1.615 18.520 1.00 0.00 C ATOM 608 CD ARG A 38 2.973 -3.045 19.028 1.00 0.00 C ATOM 609 NE ARG A 38 3.905 -3.930 18.334 1.00 0.00 N ATOM 610 CZ ARG A 38 3.880 -5.258 18.432 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.971 -5.857 19.193 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.765 -5.988 17.768 1.00 0.00 N ATOM 0 H ARG A 38 4.363 -1.110 16.034 1.00 0.00 H new ATOM 0 HA ARG A 38 2.634 -3.359 16.434 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.304 -0.377 16.950 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.182 -1.607 17.498 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.100 -1.364 18.313 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.716 -0.931 19.296 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.184 -3.063 20.097 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.956 -3.415 18.897 1.00 0.00 H new ATOM 0 HE ARG A 38 4.617 -3.506 17.739 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.288 -5.300 19.706 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.956 -6.874 19.265 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.465 -5.533 17.182 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.746 -7.005 17.843 1.00 0.00 H new ATOM 626 N ARG A 39 1.978 -1.245 14.035 1.00 0.00 N ATOM 627 CA ARG A 39 1.124 -1.001 12.878 1.00 0.00 C ATOM 628 C ARG A 39 1.001 -2.254 12.017 1.00 0.00 C ATOM 629 O ARG A 39 -0.062 -2.539 11.467 1.00 0.00 O ATOM 630 CB ARG A 39 1.678 0.155 12.043 1.00 0.00 C ATOM 631 CG ARG A 39 0.834 0.481 10.820 1.00 0.00 C ATOM 632 CD ARG A 39 1.647 0.398 9.537 1.00 0.00 C ATOM 633 NE ARG A 39 2.352 -0.877 9.415 1.00 0.00 N ATOM 634 CZ ARG A 39 2.787 -1.376 8.261 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.596 -0.713 7.126 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.417 -2.543 8.241 1.00 0.00 N ATOM 0 H ARG A 39 2.809 -0.655 14.078 1.00 0.00 H new ATOM 0 HA ARG A 39 0.131 -0.734 13.241 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.752 1.043 12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.689 -0.092 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.007 -0.210 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.417 1.483 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.986 0.530 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.368 1.215 9.512 1.00 0.00 H new ATOM 0 HE ARG A 39 2.520 -1.416 10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.113 0.185 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.932 -1.102 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.567 -3.056 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.751 -2.927 7.357 1.00 0.00 H new ATOM 650 N MET A 40 2.097 -2.998 11.902 1.00 0.00 N ATOM 651 CA MET A 40 2.112 -4.221 11.105 1.00 0.00 C ATOM 652 C MET A 40 1.027 -5.188 11.568 1.00 0.00 C ATOM 653 O MET A 40 0.493 -5.962 10.775 1.00 0.00 O ATOM 654 CB MET A 40 3.483 -4.894 11.192 1.00 0.00 C ATOM 655 CG MET A 40 3.719 -5.937 10.111 1.00 0.00 C ATOM 656 SD MET A 40 4.863 -5.373 8.835 1.00 0.00 S ATOM 657 CE MET A 40 4.015 -5.916 7.355 1.00 0.00 C ATOM 0 H MET A 40 2.986 -2.776 12.350 1.00 0.00 H new ATOM 0 HA MET A 40 1.912 -3.951 10.068 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.258 -4.131 11.124 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.585 -5.366 12.169 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.111 -6.846 10.568 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.767 -6.198 9.649 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.179 -5.193 6.556 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.402 -6.888 7.050 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.947 -5.997 7.557 1.00 0.00 H new ATOM 667 N GLU A 41 0.702 -5.135 12.855 1.00 0.00 N ATOM 668 CA GLU A 41 -0.324 -6.005 13.420 1.00 0.00 C ATOM 669 C GLU A 41 -1.652 -5.808 12.698 1.00 0.00 C ATOM 670 O GLU A 41 -2.428 -6.748 12.533 1.00 0.00 O ATOM 671 CB GLU A 41 -0.495 -5.725 14.914 1.00 0.00 C ATOM 672 CG GLU A 41 -0.890 -6.951 15.721 1.00 0.00 C ATOM 673 CD GLU A 41 -0.171 -7.029 17.054 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.066 -6.863 17.071 1.00 0.00 O ATOM 675 OE2 GLU A 41 -0.845 -7.256 18.080 1.00 0.00 O ATOM 0 H GLU A 41 1.133 -4.500 13.526 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.006 -7.039 13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.439 -5.325 15.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.253 -4.953 15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.966 -6.937 15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.672 -7.848 15.142 1.00 0.00 H new ATOM 682 N ASN A 42 -1.904 -4.576 12.266 1.00 0.00 N ATOM 683 CA ASN A 42 -3.136 -4.250 11.557 1.00 0.00 C ATOM 684 C ASN A 42 -3.044 -4.667 10.092 1.00 0.00 C ATOM 685 O ASN A 42 -4.050 -5.012 9.471 1.00 0.00 O ATOM 686 CB ASN A 42 -3.426 -2.752 11.656 1.00 0.00 C ATOM 687 CG ASN A 42 -4.289 -2.408 12.855 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.151 -3.189 13.258 1.00 0.00 O ATOM 689 ND2 ASN A 42 -4.059 -1.234 13.431 1.00 0.00 N ATOM 0 H ASN A 42 -1.271 -3.787 12.395 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.952 -4.801 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.485 -2.206 11.721 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.925 -2.420 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.607 -0.948 14.242 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.334 -0.619 13.063 1.00 0.00 H new ATOM 696 N LEU A 43 -1.832 -4.631 9.545 1.00 0.00 N ATOM 697 CA LEU A 43 -1.610 -5.006 8.153 1.00 0.00 C ATOM 698 C LEU A 43 -2.060 -6.441 7.897 1.00 0.00 C ATOM 699 O LEU A 43 -2.723 -6.727 6.900 1.00 0.00 O ATOM 700 CB LEU A 43 -0.132 -4.847 7.790 1.00 0.00 C ATOM 701 CG LEU A 43 0.136 -4.103 6.480 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.632 -4.004 6.219 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.564 -4.796 5.321 1.00 0.00 C ATOM 0 H LEU A 43 -0.990 -4.346 10.045 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.204 -4.342 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.371 -4.318 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.320 -5.837 7.727 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.264 -3.093 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.804 -3.472 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.109 -3.463 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.056 -5.006 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.363 -4.253 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.193 -5.817 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.638 -4.815 5.504 1.00 0.00 H new ATOM 715 N VAL A 44 -1.695 -7.341 8.805 1.00 0.00 N ATOM 716 CA VAL A 44 -2.062 -8.746 8.679 1.00 0.00 C ATOM 717 C VAL A 44 -3.578 -8.916 8.660 1.00 0.00 C ATOM 718 O VAL A 44 -4.140 -9.453 7.706 1.00 0.00 O ATOM 719 CB VAL A 44 -1.475 -9.584 9.831 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.757 -11.064 9.614 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.019 -9.333 9.968 1.00 0.00 C ATOM 0 H VAL A 44 -1.145 -7.122 9.636 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.647 -9.100 7.735 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.958 -9.278 10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.335 -11.639 10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.834 -11.227 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.305 -11.387 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.415 -9.934 10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.521 -9.608 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.193 -8.277 10.175 1.00 0.00 H new ATOM 731 N ALA A 45 -4.233 -8.455 9.721 1.00 0.00 N ATOM 732 CA ALA A 45 -5.684 -8.555 9.827 1.00 0.00 C ATOM 733 C ALA A 45 -6.371 -7.905 8.631 1.00 0.00 C ATOM 734 O ALA A 45 -7.362 -8.421 8.115 1.00 0.00 O ATOM 735 CB ALA A 45 -6.162 -7.918 11.124 1.00 0.00 C ATOM 0 H ALA A 45 -3.782 -8.009 10.519 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.951 -9.612 9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.247 -7.999 11.191 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.707 -8.431 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.875 -6.867 11.140 1.00 0.00 H new ATOM 741 N TYR A 46 -5.836 -6.769 8.194 1.00 0.00 N ATOM 742 CA TYR A 46 -6.396 -6.049 7.057 1.00 0.00 C ATOM 743 C TYR A 46 -6.316 -6.894 5.789 1.00 0.00 C ATOM 744 O TYR A 46 -7.331 -7.168 5.149 1.00 0.00 O ATOM 745 CB TYR A 46 -5.657 -4.725 6.851 1.00 0.00 C ATOM 746 CG TYR A 46 -6.183 -3.911 5.689 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.807 -4.206 4.384 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.055 -2.850 5.897 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.285 -3.465 3.319 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.537 -2.105 4.837 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.148 -2.416 3.551 1.00 0.00 C ATOM 752 OH TYR A 46 -7.626 -1.677 2.494 1.00 0.00 O ATOM 0 H TYR A 46 -5.016 -6.328 8.610 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.445 -5.841 7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.731 -4.132 7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.599 -4.931 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.131 -5.027 4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.361 -2.603 6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.984 -3.707 2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.215 -1.283 5.015 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.269 -2.037 1.655 1.00 0.00 H new ATOM 762 N ALA A 47 -5.103 -7.303 5.434 1.00 0.00 N ATOM 763 CA ALA A 47 -4.890 -8.119 4.244 1.00 0.00 C ATOM 764 C ALA A 47 -5.652 -9.434 4.341 1.00 0.00 C ATOM 765 O ALA A 47 -6.257 -9.886 3.368 1.00 0.00 O ATOM 766 CB ALA A 47 -3.405 -8.379 4.044 1.00 0.00 C ATOM 0 H ALA A 47 -4.253 -7.083 5.953 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.270 -7.571 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.259 -8.989 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.882 -7.430 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.007 -8.904 4.912 1.00 0.00 H new ATOM 772 N LYS A 48 -5.620 -10.045 5.521 1.00 0.00 N ATOM 773 CA LYS A 48 -6.311 -11.310 5.745 1.00 0.00 C ATOM 774 C LYS A 48 -7.808 -11.162 5.503 1.00 0.00 C ATOM 775 O LYS A 48 -8.477 -12.107 5.083 1.00 0.00 O ATOM 776 CB LYS A 48 -6.059 -11.806 7.170 1.00 0.00 C ATOM 777 CG LYS A 48 -4.828 -12.688 7.299 1.00 0.00 C ATOM 778 CD LYS A 48 -4.622 -13.153 8.731 1.00 0.00 C ATOM 779 CE LYS A 48 -5.624 -14.229 9.117 1.00 0.00 C ATOM 780 NZ LYS A 48 -6.074 -14.089 10.530 1.00 0.00 N ATOM 0 H LYS A 48 -5.124 -9.685 6.336 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.918 -12.041 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.950 -10.946 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.932 -12.363 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.930 -13.554 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.949 -12.138 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.609 -13.539 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.719 -12.304 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.488 -14.175 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.174 -15.212 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.756 -14.842 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.254 -14.166 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.527 -13.162 10.660 1.00 0.00 H new ATOM 794 N LYS A 49 -8.330 -9.969 5.770 1.00 0.00 N ATOM 795 CA LYS A 49 -9.750 -9.695 5.581 1.00 0.00 C ATOM 796 C LYS A 49 -10.086 -9.563 4.099 1.00 0.00 C ATOM 797 O LYS A 49 -11.084 -10.107 3.629 1.00 0.00 O ATOM 798 CB LYS A 49 -10.148 -8.417 6.323 1.00 0.00 C ATOM 799 CG LYS A 49 -11.623 -8.357 6.683 1.00 0.00 C ATOM 800 CD LYS A 49 -12.416 -7.567 5.654 1.00 0.00 C ATOM 801 CE LYS A 49 -12.387 -6.078 5.953 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.653 -5.404 5.548 1.00 0.00 N ATOM 0 H LYS A 49 -7.791 -9.176 6.118 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.314 -10.534 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.556 -8.337 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.898 -7.555 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.023 -9.369 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.741 -7.898 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.006 -7.748 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.448 -7.917 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.220 -5.925 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.548 -5.619 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.592 -4.390 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.800 -5.527 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.451 -5.824 6.066 1.00 0.00 H new ATOM 816 N VAL A 50 -9.244 -8.838 3.370 1.00 0.00 N ATOM 817 CA VAL A 50 -9.453 -8.635 1.941 1.00 0.00 C ATOM 818 C VAL A 50 -9.264 -9.937 1.171 1.00 0.00 C ATOM 819 O VAL A 50 -10.149 -10.358 0.426 1.00 0.00 O ATOM 820 CB VAL A 50 -8.494 -7.569 1.376 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.823 -7.269 -0.078 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.550 -6.301 2.215 1.00 0.00 C ATOM 0 H VAL A 50 -8.412 -8.382 3.744 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.479 -8.287 1.816 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.478 -7.962 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.135 -6.514 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.725 -8.180 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.845 -6.898 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.866 -5.560 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.565 -5.903 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.259 -6.530 3.240 1.00 0.00 H new ATOM 832 N GLU A 51 -8.113 -10.579 1.360 1.00 0.00 N ATOM 833 CA GLU A 51 -7.830 -11.840 0.681 1.00 0.00 C ATOM 834 C GLU A 51 -8.992 -12.808 0.870 1.00 0.00 C ATOM 835 O GLU A 51 -9.468 -13.415 -0.089 1.00 0.00 O ATOM 836 CB GLU A 51 -6.535 -12.458 1.213 1.00 0.00 C ATOM 837 CG GLU A 51 -6.534 -12.674 2.717 1.00 0.00 C ATOM 838 CD GLU A 51 -7.047 -14.046 3.110 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.065 -14.944 2.243 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.430 -14.223 4.286 1.00 0.00 O ATOM 0 H GLU A 51 -7.367 -10.250 1.973 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.705 -11.641 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.369 -13.415 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.698 -11.812 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.521 -12.546 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.151 -11.910 3.190 1.00 0.00 H new ATOM 847 N GLY A 52 -9.462 -12.921 2.108 1.00 0.00 N ATOM 848 CA GLY A 52 -10.586 -13.790 2.388 1.00 0.00 C ATOM 849 C GLY A 52 -11.827 -13.318 1.663 1.00 0.00 C ATOM 850 O GLY A 52 -12.689 -14.117 1.297 1.00 0.00 O ATOM 0 H GLY A 52 -9.086 -12.428 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.348 -14.809 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.774 -13.814 3.461 1.00 0.00 H new ATOM 854 N ASP A 53 -11.902 -12.008 1.440 1.00 0.00 N ATOM 855 CA ASP A 53 -13.026 -11.408 0.737 1.00 0.00 C ATOM 856 C ASP A 53 -12.881 -11.622 -0.766 1.00 0.00 C ATOM 857 O ASP A 53 -13.870 -11.715 -1.491 1.00 0.00 O ATOM 858 CB ASP A 53 -13.110 -9.913 1.047 1.00 0.00 C ATOM 859 CG ASP A 53 -14.371 -9.278 0.492 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.471 -9.795 0.777 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.257 -8.264 -0.228 1.00 0.00 O ATOM 0 H ASP A 53 -11.191 -11.341 1.739 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.944 -11.888 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.077 -9.766 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.238 -9.409 0.630 1.00 0.00 H new ATOM 866 N MET A 54 -11.633 -11.702 -1.224 1.00 0.00 N ATOM 867 CA MET A 54 -11.345 -11.910 -2.637 1.00 0.00 C ATOM 868 C MET A 54 -11.834 -13.281 -3.092 1.00 0.00 C ATOM 869 O MET A 54 -12.253 -13.456 -4.236 1.00 0.00 O ATOM 870 CB MET A 54 -9.843 -11.779 -2.895 1.00 0.00 C ATOM 871 CG MET A 54 -9.320 -10.362 -2.732 1.00 0.00 C ATOM 872 SD MET A 54 -9.633 -9.336 -4.181 1.00 0.00 S ATOM 873 CE MET A 54 -11.289 -8.753 -3.831 1.00 0.00 C ATOM 0 H MET A 54 -10.805 -11.625 -0.633 1.00 0.00 H new ATOM 0 HA MET A 54 -11.873 -11.147 -3.209 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.306 -12.436 -2.211 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.625 -12.124 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.787 -9.904 -1.860 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.248 -10.394 -2.539 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.460 -7.809 -4.349 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.014 -9.491 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.403 -8.603 -2.757 1.00 0.00 H new ATOM 883 N TYR A 55 -11.776 -14.249 -2.184 1.00 0.00 N ATOM 884 CA TYR A 55 -12.212 -15.609 -2.479 1.00 0.00 C ATOM 885 C TYR A 55 -13.738 -15.703 -2.520 1.00 0.00 C ATOM 886 O TYR A 55 -14.304 -16.617 -3.112 1.00 0.00 O ATOM 887 CB TYR A 55 -11.646 -16.591 -1.447 1.00 0.00 C ATOM 888 CG TYR A 55 -11.840 -18.045 -1.820 1.00 0.00 C ATOM 889 CD1 TYR A 55 -13.003 -18.718 -1.469 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.862 -18.747 -2.521 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.189 -20.045 -1.805 1.00 0.00 C ATOM 892 CE2 TYR A 55 -11.041 -20.076 -2.861 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.206 -20.719 -2.501 1.00 0.00 C ATOM 894 OH TYR A 55 -12.391 -22.040 -2.838 1.00 0.00 O ATOM 0 H TYR A 55 -11.430 -14.116 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.830 -15.877 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.581 -16.397 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.121 -16.406 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.775 -18.195 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.948 -18.245 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.100 -20.553 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.273 -20.606 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.878 -22.496 -2.120 1.00 0.00 H new ATOM 904 N GLU A 56 -14.404 -14.770 -1.866 1.00 0.00 N ATOM 905 CA GLU A 56 -15.859 -14.766 -1.827 1.00 0.00 C ATOM 906 C GLU A 56 -16.456 -13.959 -2.979 1.00 0.00 C ATOM 907 O GLU A 56 -17.608 -14.165 -3.360 1.00 0.00 O ATOM 908 CB GLU A 56 -16.327 -14.231 -0.483 1.00 0.00 C ATOM 909 CG GLU A 56 -15.578 -14.868 0.671 1.00 0.00 C ATOM 910 CD GLU A 56 -16.502 -15.399 1.750 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.336 -16.276 1.439 1.00 0.00 O ATOM 912 OE2 GLU A 56 -16.392 -14.938 2.905 1.00 0.00 O ATOM 0 H GLU A 56 -13.964 -14.005 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.211 -15.791 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.187 -13.150 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.395 -14.418 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.962 -15.684 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.901 -14.134 1.108 1.00 0.00 H new ATOM 919 N SER A 57 -15.668 -13.040 -3.531 1.00 0.00 N ATOM 920 CA SER A 57 -16.128 -12.208 -4.640 1.00 0.00 C ATOM 921 C SER A 57 -16.007 -12.951 -5.968 1.00 0.00 C ATOM 922 O SER A 57 -16.903 -12.889 -6.809 1.00 0.00 O ATOM 923 CB SER A 57 -15.326 -10.906 -4.692 1.00 0.00 C ATOM 924 OG SER A 57 -15.458 -10.274 -5.954 1.00 0.00 O ATOM 0 H SER A 57 -14.712 -12.853 -3.230 1.00 0.00 H new ATOM 0 HA SER A 57 -17.179 -11.973 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.670 -10.232 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.275 -11.115 -4.495 1.00 0.00 H new ATOM 0 HG SER A 57 -15.379 -9.303 -5.844 1.00 0.00 H new ATOM 930 N ALA A 58 -14.894 -13.656 -6.146 1.00 0.00 N ATOM 931 CA ALA A 58 -14.654 -14.417 -7.367 1.00 0.00 C ATOM 932 C ALA A 58 -15.475 -15.681 -7.399 1.00 0.00 C ATOM 933 O ALA A 58 -15.386 -16.515 -6.504 1.00 0.00 O ATOM 934 CB ALA A 58 -13.184 -14.765 -7.503 1.00 0.00 C ATOM 0 H ALA A 58 -14.143 -13.716 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.954 -13.787 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.028 -15.332 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.595 -13.849 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.871 -15.364 -6.648 1.00 0.00 H new ATOM 940 N ASN A 59 -16.237 -15.840 -8.465 1.00 0.00 N ATOM 941 CA ASN A 59 -17.027 -17.042 -8.638 1.00 0.00 C ATOM 942 C ASN A 59 -16.179 -18.079 -9.352 1.00 0.00 C ATOM 943 O ASN A 59 -16.645 -19.173 -9.663 1.00 0.00 O ATOM 944 CB ASN A 59 -18.308 -16.777 -9.431 1.00 0.00 C ATOM 945 CG ASN A 59 -18.056 -15.967 -10.687 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.207 -14.745 -10.691 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.669 -16.645 -11.762 1.00 0.00 N ATOM 0 H ASN A 59 -16.325 -15.157 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.328 -17.404 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.767 -17.728 -9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -19.020 -16.248 -8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.484 -16.153 -12.636 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.557 -17.658 -11.713 1.00 0.00 H new ATOM 954 N SER A 60 -14.922 -17.713 -9.614 1.00 0.00 N ATOM 955 CA SER A 60 -13.995 -18.606 -10.296 1.00 0.00 C ATOM 956 C SER A 60 -12.549 -18.211 -10.011 1.00 0.00 C ATOM 957 O SER A 60 -12.277 -17.095 -9.570 1.00 0.00 O ATOM 958 CB SER A 60 -14.253 -18.590 -11.804 1.00 0.00 C ATOM 959 OG SER A 60 -14.003 -19.861 -12.378 1.00 0.00 O ATOM 0 H SER A 60 -14.528 -16.806 -9.363 1.00 0.00 H new ATOM 0 HA SER A 60 -14.158 -19.615 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.285 -18.297 -11.996 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.616 -17.842 -12.277 1.00 0.00 H new ATOM 0 HG SER A 60 -14.177 -19.825 -13.342 1.00 0.00 H new ATOM 965 N ARG A 61 -11.627 -19.134 -10.265 1.00 0.00 N ATOM 966 CA ARG A 61 -10.211 -18.878 -10.034 1.00 0.00 C ATOM 967 C ARG A 61 -9.731 -17.692 -10.865 1.00 0.00 C ATOM 968 O ARG A 61 -9.089 -16.778 -10.348 1.00 0.00 O ATOM 969 CB ARG A 61 -9.382 -20.119 -10.372 1.00 0.00 C ATOM 970 CG ARG A 61 -7.888 -19.930 -10.155 1.00 0.00 C ATOM 971 CD ARG A 61 -7.074 -20.803 -11.095 1.00 0.00 C ATOM 972 NE ARG A 61 -6.596 -20.058 -12.258 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.564 -20.435 -13.010 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.897 -21.547 -12.726 1.00 0.00 N ATOM 975 NH2 ARG A 61 -5.200 -19.699 -14.050 1.00 0.00 N ATOM 0 H ARG A 61 -11.835 -20.064 -10.630 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.079 -18.639 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.727 -20.954 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.558 -20.391 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.626 -18.883 -10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.636 -20.172 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.223 -21.220 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.683 -21.643 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.082 -19.197 -12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.174 -22.118 -11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.107 -21.830 -13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.710 -18.845 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.410 -19.987 -14.627 1.00 0.00 H new ATOM 989 N ASP A 62 -10.046 -17.716 -12.158 1.00 0.00 N ATOM 990 CA ASP A 62 -9.647 -16.643 -13.066 1.00 0.00 C ATOM 991 C ASP A 62 -10.006 -15.277 -12.490 1.00 0.00 C ATOM 992 O ASP A 62 -9.177 -14.369 -12.458 1.00 0.00 O ATOM 993 CB ASP A 62 -10.317 -16.827 -14.429 1.00 0.00 C ATOM 994 CG ASP A 62 -9.588 -17.829 -15.302 1.00 0.00 C ATOM 995 OD1 ASP A 62 -9.764 -19.046 -15.082 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.841 -17.398 -16.205 1.00 0.00 O ATOM 0 H ASP A 62 -10.576 -18.467 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.565 -16.690 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.346 -17.157 -14.283 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.360 -15.866 -14.942 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.245 -15.142 -12.031 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.711 -13.890 -11.450 1.00 0.00 C ATOM 1003 C GLU A 63 -10.947 -13.579 -10.168 1.00 0.00 C ATOM 1004 O GLU A 63 -10.654 -12.421 -9.873 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.212 -13.961 -11.163 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.776 -12.686 -10.558 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.011 -11.604 -11.593 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -14.316 -11.949 -12.754 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -13.890 -10.411 -11.243 1.00 0.00 O ATOM 0 H GLU A 63 -11.944 -15.884 -12.050 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.529 -13.090 -12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.741 -14.178 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.405 -14.792 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.716 -12.912 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.089 -12.314 -9.798 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.625 -14.624 -9.411 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.891 -14.468 -8.159 1.00 0.00 C ATOM 1018 C TYR A 64 -8.517 -13.856 -8.410 1.00 0.00 C ATOM 1019 O TYR A 64 -8.048 -13.020 -7.638 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.742 -15.823 -7.464 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.976 -15.761 -6.161 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.323 -14.851 -5.169 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.909 -16.618 -5.920 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.627 -14.796 -3.977 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.210 -16.569 -4.729 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.571 -15.656 -3.762 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.877 -15.605 -2.575 1.00 0.00 O ATOM 0 H TYR A 64 -10.861 -15.589 -9.643 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.455 -13.795 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.733 -16.233 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.236 -16.513 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.150 -14.176 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.621 -17.334 -6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.909 -14.082 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.384 -17.243 -4.557 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.164 -16.278 -2.584 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.877 -14.278 -9.495 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.556 -13.773 -9.851 1.00 0.00 C ATOM 1039 C TYR A 65 -6.654 -12.387 -10.483 1.00 0.00 C ATOM 1040 O TYR A 65 -5.738 -11.572 -10.358 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.862 -14.740 -10.813 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.717 -15.504 -10.184 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.445 -14.952 -10.114 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.911 -16.776 -9.660 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.397 -15.647 -9.541 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.868 -17.477 -9.084 1.00 0.00 C ATOM 1047 CZ TYR A 65 -2.613 -16.908 -9.028 1.00 0.00 C ATOM 1048 OH TYR A 65 -1.572 -17.602 -8.456 1.00 0.00 O ATOM 0 H TYR A 65 -8.252 -14.970 -10.144 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.966 -13.693 -8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.596 -15.450 -11.193 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.487 -14.180 -11.670 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.272 -13.964 -10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.893 -17.224 -9.703 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.413 -15.204 -9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.035 -18.465 -8.680 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.935 -16.970 -8.063 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.766 -12.126 -11.161 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.981 -10.840 -11.814 1.00 0.00 C ATOM 1060 C HIS A 66 -8.457 -9.791 -10.813 1.00 0.00 C ATOM 1061 O HIS A 66 -7.834 -8.741 -10.655 1.00 0.00 O ATOM 1062 CB HIS A 66 -9.000 -10.982 -12.945 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.690 -10.136 -14.141 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.414 -9.976 -14.639 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -9.498 -9.400 -14.939 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.451 -9.179 -15.692 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.704 -8.816 -15.895 1.00 0.00 N ATOM 0 H HIS A 66 -8.533 -12.789 -11.273 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.029 -10.511 -12.231 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.047 -12.027 -13.252 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.988 -10.716 -12.568 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.568 -9.292 -14.842 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.601 -8.876 -16.286 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.029 -8.201 -16.641 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.566 -10.081 -10.140 1.00 0.00 N ATOM 1077 CA LEU A 67 -10.127 -9.162 -9.156 1.00 0.00 C ATOM 1078 C LEU A 67 -9.108 -8.846 -8.060 1.00 0.00 C ATOM 1079 O LEU A 67 -9.148 -7.776 -7.454 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.419 -9.748 -8.558 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.343 -10.205 -7.097 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.720 -10.618 -6.599 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -10.352 -11.351 -6.939 1.00 0.00 C ATOM 0 H LEU A 67 -10.094 -10.946 -10.258 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.373 -8.226 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.206 -8.998 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.723 -10.599 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.992 -9.367 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.650 -10.940 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.402 -9.771 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.096 -11.439 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.315 -11.659 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.669 -12.193 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.362 -11.022 -7.256 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.197 -9.782 -7.816 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.169 -9.602 -6.798 1.00 0.00 C ATOM 1097 C LEU A 68 -6.043 -8.712 -7.312 1.00 0.00 C ATOM 1098 O LEU A 68 -5.538 -7.853 -6.591 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.607 -10.958 -6.367 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.567 -10.902 -5.247 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.238 -11.047 -3.889 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.515 -11.984 -5.441 1.00 0.00 C ATOM 0 H LEU A 68 -8.150 -10.673 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.627 -9.115 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.434 -11.590 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.158 -11.440 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.072 -9.931 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.483 -11.005 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.953 -10.237 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.759 -12.003 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.783 -11.929 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.994 -12.963 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.013 -11.836 -6.397 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.653 -8.926 -8.565 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.585 -8.144 -9.177 1.00 0.00 C ATOM 1116 C ALA A 69 -4.981 -6.677 -9.301 1.00 0.00 C ATOM 1117 O ALA A 69 -4.156 -5.784 -9.107 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.231 -8.713 -10.542 1.00 0.00 C ATOM 0 H ALA A 69 -6.061 -9.634 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.709 -8.204 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.432 -8.120 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.898 -9.745 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.109 -8.683 -11.188 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.248 -6.434 -9.623 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.751 -5.073 -9.770 1.00 0.00 C ATOM 1126 C GLU A 70 -6.566 -4.283 -8.478 1.00 0.00 C ATOM 1127 O GLU A 70 -6.157 -3.122 -8.502 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.231 -5.093 -10.161 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.462 -5.223 -11.658 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.774 -4.606 -12.101 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.752 -4.673 -11.326 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.824 -4.057 -13.220 1.00 0.00 O ATOM 0 H GLU A 70 -6.944 -7.161 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.180 -4.584 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.722 -5.923 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.704 -4.177 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.641 -4.744 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.449 -6.277 -11.934 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.867 -4.921 -7.352 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.730 -4.278 -6.050 1.00 0.00 C ATOM 1141 C LYS A 71 -5.270 -3.945 -5.762 1.00 0.00 C ATOM 1142 O LYS A 71 -4.925 -2.793 -5.500 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.286 -5.183 -4.948 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.789 -5.395 -5.036 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.418 -5.496 -3.655 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.375 -4.163 -2.925 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.602 -3.934 -2.115 1.00 0.00 N ATOM 0 H LYS A 71 -7.207 -5.882 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.301 -3.350 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.787 -6.151 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.045 -4.750 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.243 -4.569 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.997 -6.305 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.452 -5.828 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.893 -6.250 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.500 -4.133 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.262 -3.356 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.533 -3.015 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.435 -3.937 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.697 -4.690 -1.407 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.415 -4.961 -5.821 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.990 -4.774 -5.572 1.00 0.00 C ATOM 1163 C ILE A 72 -2.370 -3.868 -6.631 1.00 0.00 C ATOM 1164 O ILE A 72 -1.399 -3.160 -6.367 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.240 -6.121 -5.560 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.948 -7.119 -4.643 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.797 -5.921 -5.120 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -3.129 -6.618 -3.226 1.00 0.00 C ATOM 0 H ILE A 72 -4.683 -5.921 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.894 -4.307 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.239 -6.526 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.925 -7.356 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.377 -8.047 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.281 -6.881 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.297 -5.243 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.778 -5.496 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.638 -7.378 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.154 -6.409 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.726 -5.706 -3.236 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.943 -3.896 -7.830 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.455 -3.082 -8.935 1.00 0.00 C ATOM 1182 C TYR A 73 -2.694 -1.598 -8.663 1.00 0.00 C ATOM 1183 O TYR A 73 -1.774 -0.784 -8.748 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.145 -3.503 -10.237 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.935 -2.545 -11.388 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.692 -1.971 -11.626 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.983 -2.214 -12.238 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.499 -1.095 -12.676 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.798 -1.340 -13.291 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.555 -0.783 -13.506 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.368 0.089 -14.555 1.00 0.00 O ATOM 0 H TYR A 73 -3.749 -4.477 -8.061 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.381 -3.239 -9.034 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.779 -4.488 -10.527 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.215 -3.603 -10.052 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.863 -2.214 -10.979 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.958 -2.647 -12.072 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.527 -0.657 -12.846 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.623 -1.094 -13.943 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.211 0.200 -15.042 1.00 0.00 H new ATOM 1201 N LYS A 74 -3.936 -1.252 -8.339 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.293 0.134 -8.058 1.00 0.00 C ATOM 1203 C LYS A 74 -3.639 0.618 -6.767 1.00 0.00 C ATOM 1204 O LYS A 74 -3.084 1.716 -6.715 1.00 0.00 O ATOM 1205 CB LYS A 74 -5.814 0.283 -7.963 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.428 -0.474 -6.796 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.945 -0.365 -6.799 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.571 -1.345 -7.776 1.00 0.00 C ATOM 1209 NZ LYS A 74 -8.449 -0.879 -9.186 1.00 0.00 N ATOM 0 H LYS A 74 -4.711 -1.911 -8.265 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.926 0.749 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.062 1.340 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.264 -0.070 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.137 -1.523 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.035 -0.080 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.327 -0.556 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.237 0.651 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.090 -2.318 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.624 -1.482 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.310 -1.132 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.325 0.153 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.626 -1.333 -9.632 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.707 -0.208 -5.727 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.118 0.140 -4.439 1.00 0.00 C ATOM 1225 C ILE A 75 -1.605 0.293 -4.550 1.00 0.00 C ATOM 1226 O ILE A 75 -0.993 1.067 -3.814 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.442 -0.921 -3.367 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.953 -1.146 -3.280 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.888 -0.498 -2.013 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.330 -2.532 -2.803 1.00 0.00 C ATOM 0 H ILE A 75 -4.163 -1.120 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.554 1.092 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.968 -1.859 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.384 -0.408 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.395 -0.975 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.126 -1.258 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.806 -0.384 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.335 0.451 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.416 -2.621 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.929 -3.275 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.918 -2.699 -1.808 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.004 -0.450 -5.475 1.00 0.00 N ATOM 1243 CA GLN A 76 0.438 -0.396 -5.682 1.00 0.00 C ATOM 1244 C GLN A 76 0.882 1.018 -6.045 1.00 0.00 C ATOM 1245 O GLN A 76 1.758 1.590 -5.396 1.00 0.00 O ATOM 1246 CB GLN A 76 0.854 -1.376 -6.782 1.00 0.00 C ATOM 1247 CG GLN A 76 1.517 -2.637 -6.252 1.00 0.00 C ATOM 1248 CD GLN A 76 2.193 -3.443 -7.344 1.00 0.00 C ATOM 1249 OE1 GLN A 76 2.324 -2.985 -8.480 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.625 -4.652 -7.006 1.00 0.00 N ATOM 0 H GLN A 76 -1.494 -1.097 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 76 0.926 -0.681 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.026 -1.654 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.540 -0.874 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.254 -2.365 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.768 -3.257 -5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.496 -4.992 -6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.086 -5.241 -7.699 1.00 0.00 H new ATOM 1259 N LYS A 77 0.273 1.576 -7.086 1.00 0.00 N ATOM 1260 CA LYS A 77 0.605 2.923 -7.535 1.00 0.00 C ATOM 1261 C LYS A 77 0.311 3.949 -6.444 1.00 0.00 C ATOM 1262 O LYS A 77 0.967 4.986 -6.360 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.180 3.269 -8.801 1.00 0.00 C ATOM 1264 CG LYS A 77 0.515 2.838 -10.083 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.489 2.434 -11.151 1.00 0.00 C ATOM 1266 CE LYS A 77 0.204 2.046 -12.447 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.182 0.941 -12.247 1.00 0.00 N ATOM 0 H LYS A 77 -0.453 1.116 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 77 1.672 2.952 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.160 2.795 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.347 4.346 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.135 3.654 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.182 2.001 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.087 1.596 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.176 3.259 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.543 1.741 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.718 2.915 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.175 0.317 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.134 1.339 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.920 0.395 -11.402 1.00 0.00 H new ATOM 1281 N GLU A 78 -0.682 3.652 -5.611 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.065 4.549 -4.525 1.00 0.00 C ATOM 1283 C GLU A 78 0.112 4.808 -3.588 1.00 0.00 C ATOM 1284 O GLU A 78 0.175 5.846 -2.929 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.237 3.958 -3.739 1.00 0.00 C ATOM 1286 CG GLU A 78 -3.230 5.002 -3.254 1.00 0.00 C ATOM 1287 CD GLU A 78 -3.830 4.653 -1.906 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -3.080 4.642 -0.908 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.050 4.391 -1.848 1.00 0.00 O ATOM 0 H GLU A 78 -1.236 2.797 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.371 5.499 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.759 3.236 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.849 3.411 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.731 5.969 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.029 5.106 -3.988 1.00 0.00 H new ATOM 1296 N LEU A 79 1.042 3.859 -3.533 1.00 0.00 N ATOM 1297 CA LEU A 79 2.216 3.984 -2.674 1.00 0.00 C ATOM 1298 C LEU A 79 2.967 5.283 -2.958 1.00 0.00 C ATOM 1299 O LEU A 79 3.243 6.064 -2.046 1.00 0.00 O ATOM 1300 CB LEU A 79 3.150 2.790 -2.876 1.00 0.00 C ATOM 1301 CG LEU A 79 4.031 2.446 -1.673 1.00 0.00 C ATOM 1302 CD1 LEU A 79 4.358 0.960 -1.659 1.00 0.00 C ATOM 1303 CD2 LEU A 79 5.307 3.275 -1.695 1.00 0.00 C ATOM 0 H LEU A 79 1.006 2.995 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 79 1.875 4.002 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.549 1.917 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.793 2.992 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 79 3.481 2.684 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.985 0.734 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.434 0.385 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.889 0.696 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.923 3.018 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.860 3.067 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.053 4.334 -1.657 1.00 0.00 H new ATOM 1315 N GLU A 80 3.294 5.507 -4.226 1.00 0.00 N ATOM 1316 CA GLU A 80 4.012 6.711 -4.629 1.00 0.00 C ATOM 1317 C GLU A 80 3.071 7.907 -4.711 1.00 0.00 C ATOM 1318 O GLU A 80 3.476 9.046 -4.478 1.00 0.00 O ATOM 1319 CB GLU A 80 4.698 6.492 -5.979 1.00 0.00 C ATOM 1320 CG GLU A 80 5.986 7.283 -6.142 1.00 0.00 C ATOM 1321 CD GLU A 80 5.785 8.569 -6.921 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.935 9.386 -6.510 1.00 0.00 O ATOM 1323 OE2 GLU A 80 6.478 8.758 -7.942 1.00 0.00 O ATOM 0 H GLU A 80 3.073 4.871 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 80 4.769 6.921 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.916 5.431 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.008 6.768 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.391 7.518 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.726 6.665 -6.652 1.00 0.00 H new ATOM 1330 N GLU A 81 1.812 7.642 -5.046 1.00 0.00 N ATOM 1331 CA GLU A 81 0.812 8.698 -5.161 1.00 0.00 C ATOM 1332 C GLU A 81 0.584 9.385 -3.817 1.00 0.00 C ATOM 1333 O GLU A 81 0.213 10.557 -3.764 1.00 0.00 O ATOM 1334 CB GLU A 81 -0.505 8.128 -5.689 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.177 9.012 -6.728 1.00 0.00 C ATOM 1336 CD GLU A 81 -1.780 8.216 -7.868 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -1.008 7.658 -8.676 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -3.024 8.151 -7.954 1.00 0.00 O ATOM 0 H GLU A 81 1.460 6.705 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 81 1.185 9.441 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.318 7.147 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.189 7.980 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.958 9.601 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.447 9.716 -7.128 1.00 0.00 H new ATOM 1345 N LYS A 82 0.804 8.647 -2.733 1.00 0.00 N ATOM 1346 CA LYS A 82 0.620 9.189 -1.392 1.00 0.00 C ATOM 1347 C LYS A 82 1.694 10.224 -1.068 1.00 0.00 C ATOM 1348 O LYS A 82 1.474 11.128 -0.262 1.00 0.00 O ATOM 1349 CB LYS A 82 0.654 8.064 -0.356 1.00 0.00 C ATOM 1350 CG LYS A 82 -0.709 7.447 -0.083 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.993 7.354 1.409 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.938 8.453 1.867 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.535 9.017 3.186 1.00 0.00 N ATOM 0 H LYS A 82 1.109 7.674 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.353 9.679 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.334 7.285 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.061 8.453 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.483 8.045 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.754 6.452 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.427 6.381 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.057 7.423 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.958 9.249 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.951 8.056 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.204 9.763 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.541 8.263 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.579 9.419 3.114 1.00 0.00 H new ATOM 1367 N ARG A 83 2.855 10.085 -1.700 1.00 0.00 N ATOM 1368 CA ARG A 83 3.963 11.008 -1.476 1.00 0.00 C ATOM 1369 C ARG A 83 3.596 12.420 -1.922 1.00 0.00 C ATOM 1370 O ARG A 83 3.897 13.395 -1.232 1.00 0.00 O ATOM 1371 CB ARG A 83 5.210 10.532 -2.222 1.00 0.00 C ATOM 1372 CG ARG A 83 6.488 11.220 -1.768 1.00 0.00 C ATOM 1373 CD ARG A 83 7.116 10.501 -0.585 1.00 0.00 C ATOM 1374 NE ARG A 83 6.509 10.898 0.682 1.00 0.00 N ATOM 1375 CZ ARG A 83 6.692 12.086 1.253 1.00 0.00 C ATOM 1376 NH1 ARG A 83 7.465 12.997 0.673 1.00 0.00 N ATOM 1377 NH2 ARG A 83 6.101 12.366 2.406 1.00 0.00 N ATOM 0 H ARG A 83 3.053 9.343 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 83 4.174 11.029 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.317 9.456 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.073 10.705 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.198 11.253 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.270 12.252 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.009 9.424 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.185 10.714 -0.557 1.00 0.00 H new ATOM 0 HE ARG A 83 5.909 10.225 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.922 12.788 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.602 13.906 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.506 11.671 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.242 13.277 2.843 1.00 0.00 H new ATOM 1391 N ARG A 84 2.945 12.525 -3.076 1.00 0.00 N ATOM 1392 CA ARG A 84 2.543 13.825 -3.601 1.00 0.00 C ATOM 1393 C ARG A 84 1.183 14.246 -3.064 1.00 0.00 C ATOM 1394 O ARG A 84 0.721 15.355 -3.329 1.00 0.00 O ATOM 1395 CB ARG A 84 2.528 13.814 -5.131 1.00 0.00 C ATOM 1396 CG ARG A 84 1.886 12.572 -5.729 1.00 0.00 C ATOM 1397 CD ARG A 84 2.932 11.580 -6.214 1.00 0.00 C ATOM 1398 NE ARG A 84 3.956 12.222 -7.035 1.00 0.00 N ATOM 1399 CZ ARG A 84 3.811 12.485 -8.332 1.00 0.00 C ATOM 1400 NH1 ARG A 84 2.685 12.169 -8.960 1.00 0.00 N ATOM 1401 NH2 ARG A 84 4.794 13.070 -9.002 1.00 0.00 N ATOM 0 H ARG A 84 2.686 11.731 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 84 3.280 14.554 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.993 14.695 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.552 13.894 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.250 12.095 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.242 12.859 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.403 11.101 -5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.446 10.793 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 84 4.834 12.484 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.924 11.722 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.581 12.373 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.660 13.318 -8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.684 13.272 -9.996 1.00 0.00 H new ATOM 1415 N SER A 85 0.553 13.375 -2.282 1.00 0.00 N ATOM 1416 CA SER A 85 -0.736 13.693 -1.692 1.00 0.00 C ATOM 1417 C SER A 85 -0.602 14.899 -0.763 1.00 0.00 C ATOM 1418 O SER A 85 -1.599 15.493 -0.353 1.00 0.00 O ATOM 1419 CB SER A 85 -1.284 12.492 -0.919 1.00 0.00 C ATOM 1420 OG SER A 85 -1.645 11.441 -1.798 1.00 0.00 O ATOM 0 H SER A 85 0.914 12.451 -2.045 1.00 0.00 H new ATOM 0 HA SER A 85 -1.434 13.936 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.534 12.138 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.153 12.797 -0.336 1.00 0.00 H new ATOM 0 HG SER A 85 -0.936 11.311 -2.462 1.00 0.00 H new ATOM 1426 N ARG A 86 0.643 15.255 -0.436 1.00 0.00 N ATOM 1427 CA ARG A 86 0.909 16.392 0.442 1.00 0.00 C ATOM 1428 C ARG A 86 2.113 17.196 -0.023 1.00 0.00 C ATOM 1429 O ARG A 86 2.348 18.316 0.430 1.00 0.00 O ATOM 1430 CB ARG A 86 1.134 15.910 1.871 1.00 0.00 C ATOM 1431 CG ARG A 86 -0.101 15.290 2.508 1.00 0.00 C ATOM 1432 CD ARG A 86 0.266 14.124 3.412 1.00 0.00 C ATOM 1433 NE ARG A 86 -0.793 13.822 4.373 1.00 0.00 N ATOM 1434 CZ ARG A 86 -0.894 12.667 5.027 1.00 0.00 C ATOM 1435 NH1 ARG A 86 -0.001 11.704 4.828 1.00 0.00 N ATOM 1436 NH2 ARG A 86 -1.888 12.475 5.882 1.00 0.00 N ATOM 0 H ARG A 86 1.479 14.772 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 86 0.036 17.044 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.941 15.177 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.464 16.751 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.633 16.046 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.781 14.947 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.465 13.242 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.186 14.356 3.948 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.496 14.539 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.766 11.848 4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.083 10.821 5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.575 13.212 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.966 11.590 6.383 1.00 0.00 H new ATOM 1450 N LEU A 87 2.859 16.609 -0.925 1.00 0.00 N ATOM 1451 CA LEU A 87 4.052 17.238 -1.481 1.00 0.00 C ATOM 1452 C LEU A 87 5.085 17.506 -0.390 1.00 0.00 C ATOM 1453 O LEU A 87 6.183 17.998 -0.725 1.00 0.00 O ATOM 1454 CB LEU A 87 3.683 18.547 -2.183 1.00 0.00 C ATOM 1455 CG LEU A 87 3.277 18.403 -3.650 1.00 0.00 C ATOM 1456 CD1 LEU A 87 1.786 18.131 -3.766 1.00 0.00 C ATOM 1457 CD2 LEU A 87 3.656 19.652 -4.432 1.00 0.00 C ATOM 1458 OXT LEU A 87 4.787 17.220 0.788 1.00 0.00 O ATOM 0 H LEU A 87 2.664 15.681 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 87 4.488 16.553 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.862 19.014 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.533 19.226 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 87 3.814 17.555 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.515 18.031 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.542 17.208 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.230 18.958 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.360 19.533 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.146 20.516 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.734 19.803 -4.376 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -14.663 8.832 8.336 1.00 0.00 N ATOM 1472 CA GLY B 88 -15.362 9.186 7.070 1.00 0.00 C ATOM 1473 C GLY B 88 -16.549 8.286 6.791 1.00 0.00 C ATOM 1474 O GLY B 88 -17.695 8.666 7.034 1.00 0.00 O ATOM 0 HA2 GLY B 88 -15.699 10.221 7.122 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -14.658 9.122 6.240 1.00 0.00 H new ATOM 1480 N SER B 89 -16.276 7.090 6.281 1.00 0.00 N ATOM 1481 CA SER B 89 -17.331 6.134 5.969 1.00 0.00 C ATOM 1482 C SER B 89 -16.956 4.734 6.447 1.00 0.00 C ATOM 1483 O SER B 89 -17.690 4.111 7.213 1.00 0.00 O ATOM 1484 CB SER B 89 -17.603 6.115 4.463 1.00 0.00 C ATOM 1485 OG SER B 89 -18.926 5.687 4.189 1.00 0.00 O ATOM 0 H SER B 89 -15.333 6.760 6.075 1.00 0.00 H new ATOM 0 HA SER B 89 -18.235 6.447 6.491 1.00 0.00 H new ATOM 0 HB2 SER B 89 -17.447 7.111 4.049 1.00 0.00 H new ATOM 0 HB3 SER B 89 -16.893 5.451 3.970 1.00 0.00 H new ATOM 0 HG SER B 89 -19.075 5.685 3.220 1.00 0.00 H new ATOM 1491 N GLY B 90 -15.807 4.247 5.989 1.00 0.00 N ATOM 1492 CA GLY B 90 -15.354 2.925 6.379 1.00 0.00 C ATOM 1493 C GLY B 90 -14.568 2.234 5.283 1.00 0.00 C ATOM 1494 O GLY B 90 -14.396 2.781 4.194 1.00 0.00 O ATOM 0 H GLY B 90 -15.182 4.744 5.355 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.733 3.006 7.271 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -16.216 2.313 6.645 1.00 0.00 H new ATOM 1498 N THR B 91 -14.089 1.026 5.573 1.00 0.00 N ATOM 1499 CA THR B 91 -13.316 0.253 4.605 1.00 0.00 C ATOM 1500 C THR B 91 -11.959 0.904 4.346 1.00 0.00 C ATOM 1501 O THR B 91 -10.920 0.368 4.734 1.00 0.00 O ATOM 1502 CB THR B 91 -14.086 0.112 3.290 1.00 0.00 C ATOM 1503 OG1 THR B 91 -15.474 0.314 3.499 1.00 0.00 O ATOM 1504 CG2 THR B 91 -13.914 -1.242 2.637 1.00 0.00 C ATOM 0 H THR B 91 -14.223 0.562 6.471 1.00 0.00 H new ATOM 0 HA THR B 91 -13.151 -0.739 5.025 1.00 0.00 H new ATOM 0 HB THR B 91 -13.670 0.872 2.628 1.00 0.00 H new ATOM 0 HG1 THR B 91 -15.950 0.222 2.647 1.00 0.00 H new ATOM 0 HG21 THR B 91 -14.486 -1.274 1.710 1.00 0.00 H new ATOM 0 HG22 THR B 91 -12.859 -1.409 2.419 1.00 0.00 H new ATOM 0 HG23 THR B 91 -14.273 -2.019 3.312 1.00 0.00 H new ATOM 1512 N ASP B 92 -11.977 2.059 3.691 1.00 0.00 N ATOM 1513 CA ASP B 92 -10.748 2.781 3.381 1.00 0.00 C ATOM 1514 C ASP B 92 -10.343 3.687 4.541 1.00 0.00 C ATOM 1515 O ASP B 92 -10.621 4.885 4.532 1.00 0.00 O ATOM 1516 CB ASP B 92 -10.926 3.611 2.109 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.645 2.810 0.852 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -11.317 1.778 0.644 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -9.754 3.215 0.077 1.00 0.00 O ATOM 0 H ASP B 92 -12.828 2.516 3.364 1.00 0.00 H new ATOM 0 HA ASP B 92 -9.956 2.049 3.221 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -11.944 3.998 2.070 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -10.259 4.473 2.144 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.683 3.104 5.536 1.00 0.00 N ATOM 1525 CA LYS B 93 -9.238 3.859 6.703 1.00 0.00 C ATOM 1526 C LYS B 93 -7.774 3.567 7.014 1.00 0.00 C ATOM 1527 O LYS B 93 -6.911 4.429 6.853 1.00 0.00 O ATOM 1528 CB LYS B 93 -10.107 3.520 7.916 1.00 0.00 C ATOM 1529 CG LYS B 93 -11.360 4.375 8.025 1.00 0.00 C ATOM 1530 CD LYS B 93 -11.160 5.537 8.984 1.00 0.00 C ATOM 1531 CE LYS B 93 -12.445 5.878 9.721 1.00 0.00 C ATOM 1532 NZ LYS B 93 -12.187 6.273 11.133 1.00 0.00 N ATOM 0 H LYS B 93 -9.444 2.113 5.558 1.00 0.00 H new ATOM 0 HA LYS B 93 -9.338 4.921 6.478 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -10.397 2.471 7.863 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.514 3.642 8.823 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -11.628 4.757 7.040 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -12.193 3.760 8.366 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.382 5.286 9.705 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.813 6.410 8.432 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.955 6.691 9.204 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.114 5.018 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.088 6.498 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.723 5.488 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.569 7.109 11.152 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.503 2.345 7.462 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.142 1.938 7.796 1.00 0.00 C ATOM 1548 C GLU B 94 -5.249 1.948 6.560 1.00 0.00 C ATOM 1549 O GLU B 94 -4.034 2.118 6.663 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.145 0.545 8.426 1.00 0.00 C ATOM 1551 CG GLU B 94 -7.202 0.366 9.504 1.00 0.00 C ATOM 1552 CD GLU B 94 -8.408 -0.412 9.014 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -8.302 -1.649 8.882 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -9.458 0.217 8.761 1.00 0.00 O ATOM 0 H GLU B 94 -8.207 1.620 7.602 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.743 2.654 8.514 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -6.306 -0.198 7.644 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.163 0.348 8.856 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -6.762 -0.151 10.357 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.525 1.345 9.857 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.856 1.767 5.391 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.112 1.756 4.135 1.00 0.00 C ATOM 1563 C LEU B 95 -4.293 3.035 3.977 1.00 0.00 C ATOM 1564 O LEU B 95 -3.207 3.021 3.398 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.068 1.600 2.952 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.473 0.906 1.725 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -4.415 1.784 1.076 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -4.886 -0.444 2.109 1.00 0.00 C ATOM 0 H LEU B 95 -6.861 1.626 5.287 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.428 0.907 4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.941 1.036 3.282 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.420 2.588 2.656 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.272 0.740 1.002 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -4.003 1.274 0.205 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.865 2.727 0.765 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -3.617 1.982 1.792 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.467 -0.924 1.224 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.100 -0.301 2.851 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.670 -1.076 2.528 1.00 0.00 H new ATOM 1580 N SER B 96 -4.823 4.137 4.498 1.00 0.00 N ATOM 1581 CA SER B 96 -4.142 5.424 4.418 1.00 0.00 C ATOM 1582 C SER B 96 -3.024 5.512 5.452 1.00 0.00 C ATOM 1583 O SER B 96 -1.978 6.109 5.200 1.00 0.00 O ATOM 1584 CB SER B 96 -5.138 6.565 4.627 1.00 0.00 C ATOM 1585 OG SER B 96 -5.457 6.719 6.000 1.00 0.00 O ATOM 0 H SER B 96 -5.722 4.164 4.980 1.00 0.00 H new ATOM 0 HA SER B 96 -3.702 5.514 3.425 1.00 0.00 H new ATOM 0 HB2 SER B 96 -4.718 7.494 4.242 1.00 0.00 H new ATOM 0 HB3 SER B 96 -6.047 6.367 4.059 1.00 0.00 H new ATOM 0 HG SER B 96 -5.960 5.937 6.309 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.254 4.913 6.617 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.266 4.925 7.689 1.00 0.00 C ATOM 1593 C ASP B 97 -1.169 3.897 7.432 1.00 0.00 C ATOM 1594 O ASP B 97 -0.018 4.091 7.822 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.939 4.643 9.033 1.00 0.00 C ATOM 1596 CG ASP B 97 -3.384 5.911 9.735 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -2.628 6.906 9.699 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -4.486 5.911 10.321 1.00 0.00 O ATOM 0 H ASP B 97 -4.115 4.414 6.842 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.811 5.915 7.718 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.802 3.996 8.875 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.247 4.099 9.676 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.534 2.802 6.772 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.581 1.743 6.463 1.00 0.00 C ATOM 1605 C LEU B 98 0.288 2.123 5.268 1.00 0.00 C ATOM 1606 O LEU B 98 1.504 1.931 5.286 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.317 0.433 6.177 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.210 -0.070 7.311 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.408 -0.824 6.753 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.417 -0.953 8.261 1.00 0.00 C ATOM 0 H LEU B 98 -2.483 2.626 6.441 1.00 0.00 H new ATOM 0 HA LEU B 98 0.065 1.607 7.330 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.929 0.566 5.285 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.580 -0.337 5.947 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.577 0.792 7.869 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.032 -1.175 7.575 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.990 -0.161 6.113 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.062 -1.678 6.171 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.068 -1.302 9.062 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.021 -1.810 7.716 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.593 -0.381 8.687 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.345 2.664 4.232 1.00 0.00 N ATOM 1623 CA LEU B 99 0.370 3.072 3.028 1.00 0.00 C ATOM 1624 C LEU B 99 1.432 4.116 3.353 1.00 0.00 C ATOM 1625 O LEU B 99 2.526 4.100 2.788 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.611 3.628 1.993 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.057 3.754 0.572 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.977 4.867 0.499 1.00 0.00 C ATOM 1629 CD2 LEU B 99 0.544 2.433 0.115 1.00 0.00 C ATOM 0 H LEU B 99 -1.351 2.830 4.202 1.00 0.00 H new ATOM 0 HA LEU B 99 0.866 2.194 2.614 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.490 2.985 1.967 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.945 4.611 2.324 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.879 4.006 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU B 99 1.360 4.942 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.515 5.812 0.783 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.799 4.646 1.180 1.00 0.00 H new ATOM 0 HD21 LEU B 99 0.933 2.541 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU B 99 1.354 2.150 0.787 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.224 1.660 0.128 1.00 0.00 H new ATOM 1641 N ASP B 100 1.104 5.024 4.266 1.00 0.00 N ATOM 1642 CA ASP B 100 2.030 6.076 4.667 1.00 0.00 C ATOM 1643 C ASP B 100 3.241 5.492 5.386 1.00 0.00 C ATOM 1644 O ASP B 100 4.362 5.976 5.227 1.00 0.00 O ATOM 1645 CB ASP B 100 1.324 7.088 5.571 1.00 0.00 C ATOM 1646 CG ASP B 100 2.220 8.251 5.949 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.269 8.010 6.582 1.00 0.00 O ATOM 1648 OD2 ASP B 100 1.873 9.402 5.611 1.00 0.00 O ATOM 0 H ASP B 100 0.203 5.052 4.743 1.00 0.00 H new ATOM 0 HA ASP B 100 2.376 6.583 3.766 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.437 7.467 5.064 1.00 0.00 H new ATOM 0 HB3 ASP B 100 0.984 6.586 6.477 1.00 0.00 H new ATOM 1653 N PHE B 101 3.009 4.447 6.175 1.00 0.00 N ATOM 1654 CA PHE B 101 4.083 3.797 6.918 1.00 0.00 C ATOM 1655 C PHE B 101 5.146 3.252 5.970 1.00 0.00 C ATOM 1656 O PHE B 101 6.335 3.249 6.292 1.00 0.00 O ATOM 1657 CB PHE B 101 3.522 2.664 7.778 1.00 0.00 C ATOM 1658 CG PHE B 101 4.560 1.979 8.621 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.480 1.117 8.046 1.00 0.00 C ATOM 1660 CD2 PHE B 101 4.613 2.196 9.989 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.436 0.485 8.820 1.00 0.00 C ATOM 1662 CE2 PHE B 101 5.567 1.567 10.767 1.00 0.00 C ATOM 1663 CZ PHE B 101 6.478 0.710 10.182 1.00 0.00 C ATOM 0 H PHE B 101 2.088 4.033 6.316 1.00 0.00 H new ATOM 0 HA PHE B 101 4.546 4.541 7.566 1.00 0.00 H new ATOM 0 HB2 PHE B 101 2.744 3.064 8.428 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.048 1.927 7.129 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.450 0.937 6.982 1.00 0.00 H new ATOM 0 HD2 PHE B 101 3.901 2.864 10.452 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.149 -0.184 8.360 1.00 0.00 H new ATOM 0 HE2 PHE B 101 5.600 1.746 11.832 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.223 0.216 10.789 1.00 0.00 H new ATOM 1673 N SER B 102 4.711 2.793 4.802 1.00 0.00 N ATOM 1674 CA SER B 102 5.627 2.245 3.807 1.00 0.00 C ATOM 1675 C SER B 102 6.199 3.352 2.927 1.00 0.00 C ATOM 1676 O SER B 102 7.355 3.291 2.509 1.00 0.00 O ATOM 1677 CB SER B 102 4.911 1.208 2.941 1.00 0.00 C ATOM 1678 OG SER B 102 5.669 0.898 1.784 1.00 0.00 O ATOM 0 H SER B 102 3.731 2.789 4.520 1.00 0.00 H new ATOM 0 HA SER B 102 6.450 1.762 4.334 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.740 0.301 3.521 1.00 0.00 H new ATOM 0 HB3 SER B 102 3.933 1.588 2.647 1.00 0.00 H new ATOM 0 HG SER B 102 5.751 -0.075 1.697 1.00 0.00 H new ATOM 1684 N ALA B 103 5.382 4.363 2.650 1.00 0.00 N ATOM 1685 CA ALA B 103 5.807 5.484 1.820 1.00 0.00 C ATOM 1686 C ALA B 103 6.993 6.210 2.445 1.00 0.00 C ATOM 1687 O ALA B 103 7.841 6.757 1.740 1.00 0.00 O ATOM 1688 CB ALA B 103 4.651 6.446 1.603 1.00 0.00 C ATOM 0 H ALA B 103 4.422 4.429 2.988 1.00 0.00 H new ATOM 0 HA ALA B 103 6.124 5.091 0.854 1.00 0.00 H new ATOM 0 HB1 ALA B 103 4.982 7.278 0.982 1.00 0.00 H new ATOM 0 HB2 ALA B 103 3.833 5.925 1.106 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.308 6.826 2.565 1.00 0.00 H new ATOM 1694 N MET B 104 7.045 6.213 3.773 1.00 0.00 N ATOM 1695 CA MET B 104 8.128 6.874 4.494 1.00 0.00 C ATOM 1696 C MET B 104 9.469 6.220 4.179 1.00 0.00 C ATOM 1697 O MET B 104 10.390 6.874 3.687 1.00 0.00 O ATOM 1698 CB MET B 104 7.867 6.827 6.001 1.00 0.00 C ATOM 1699 CG MET B 104 7.058 8.008 6.514 1.00 0.00 C ATOM 1700 SD MET B 104 8.086 9.433 6.916 1.00 0.00 S ATOM 1701 CE MET B 104 7.810 9.563 8.680 1.00 0.00 C ATOM 0 H MET B 104 6.351 5.766 4.372 1.00 0.00 H new ATOM 0 HA MET B 104 8.166 7.914 4.170 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.340 5.904 6.242 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.822 6.795 6.526 1.00 0.00 H new ATOM 0 HG2 MET B 104 6.324 8.295 5.761 1.00 0.00 H new ATOM 0 HG3 MET B 104 6.502 7.704 7.401 1.00 0.00 H new ATOM 0 HE1 MET B 104 8.381 10.402 9.077 1.00 0.00 H new ATOM 0 HE2 MET B 104 6.749 9.723 8.871 1.00 0.00 H new ATOM 0 HE3 MET B 104 8.132 8.643 9.167 1.00 0.00 H new ATOM 1711 N PHE B 105 9.573 4.926 4.464 1.00 0.00 N ATOM 1712 CA PHE B 105 10.802 4.184 4.209 1.00 0.00 C ATOM 1713 C PHE B 105 10.679 3.344 2.942 1.00 0.00 C ATOM 1714 O PHE B 105 10.007 2.314 2.930 1.00 0.00 O ATOM 1715 CB PHE B 105 11.133 3.283 5.401 1.00 0.00 C ATOM 1716 CG PHE B 105 11.848 3.995 6.513 1.00 0.00 C ATOM 1717 CD1 PHE B 105 13.230 4.104 6.509 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.139 4.557 7.562 1.00 0.00 C ATOM 1719 CE1 PHE B 105 13.890 4.759 7.530 1.00 0.00 C ATOM 1720 CE2 PHE B 105 11.794 5.214 8.587 1.00 0.00 C ATOM 1721 CZ PHE B 105 13.171 5.315 8.571 1.00 0.00 C ATOM 0 H PHE B 105 8.821 4.370 4.871 1.00 0.00 H new ATOM 0 HA PHE B 105 11.609 4.903 4.069 1.00 0.00 H new ATOM 0 HB2 PHE B 105 10.209 2.855 5.790 1.00 0.00 H new ATOM 0 HB3 PHE B 105 11.749 2.452 5.058 1.00 0.00 H new ATOM 0 HD1 PHE B 105 13.797 3.672 5.698 1.00 0.00 H new ATOM 0 HD2 PHE B 105 10.062 4.481 7.579 1.00 0.00 H new ATOM 0 HE1 PHE B 105 14.967 4.837 7.515 1.00 0.00 H new ATOM 0 HE2 PHE B 105 11.229 5.648 9.399 1.00 0.00 H new ATOM 0 HZ PHE B 105 13.685 5.828 9.371 1.00 0.00 H new ATOM 1731 N SER B 106 11.333 3.794 1.875 1.00 0.00 N ATOM 1732 CA SER B 106 11.298 3.085 0.602 1.00 0.00 C ATOM 1733 C SER B 106 12.229 1.878 0.624 1.00 0.00 C ATOM 1734 O SER B 106 13.360 2.014 1.139 1.00 0.00 O ATOM 1735 CB SER B 106 11.689 4.025 -0.540 1.00 0.00 C ATOM 1736 OG SER B 106 10.549 4.663 -1.089 1.00 0.00 O ATOM 1737 OXT SER B 106 11.821 0.807 0.129 1.00 0.00 O ATOM 0 H SER B 106 11.893 4.646 1.868 1.00 0.00 H new ATOM 0 HA SER B 106 10.280 2.731 0.440 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.389 4.776 -0.173 1.00 0.00 H new ATOM 0 HB3 SER B 106 12.205 3.462 -1.318 1.00 0.00 H new ATOM 0 HG SER B 106 10.826 5.259 -1.816 1.00 0.00 H new TER 1743 SER B 106