USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 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 73 TYR OH : rot 180:sc= 0.587 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -145:sc= 0.659 (180deg=0) USER MOD Set 2.1: A 29 THR OG1 : rot 151:sc= 0.215 USER MOD Set 2.2: B 106 SER OG : rot -110:sc= 0.172 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.00657 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.811 (180deg=-3.66!) USER MOD Single : A 7 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.25) USER MOD Single : A 9 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.03) USER MOD Single : A 11 THR OG1 : rot -28:sc= 1.09 USER MOD Single : A 12 GLN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.82 K(o=0.82,f=-3.5!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.012) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.48) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -174:sc= -4.66! (180deg=-4.83!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.682 F(o=-1.2,f=0.68) USER MOD Single : A 46 TYR OH : rot 125:sc= -3.73! 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 -154:sc=-0.00911 (180deg=-0.249) USER MOD Single : A 55 TYR OH : rot 77:sc= 1.49 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 60 SER OG : rot 21:sc= 0.179 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.0039) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.31 K(o=-2.3,f=-6.7!) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 0.0153 (180deg=0) USER MOD Single : A 85 SER OG : rot -22:sc= 0.22 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0.317 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot -40:sc= -0.355 USER MOD Single : B 102 SER OG : rot -54:sc= 0.942 USER MOD Single : B 104 MET CE :methyl -152:sc= -0.21 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.576 -24.646 -8.629 1.00 0.00 N ATOM 2 CA GLY A 1 -27.150 -26.005 -8.196 1.00 0.00 C ATOM 3 C GLY A 1 -25.648 -26.198 -8.282 1.00 0.00 C ATOM 4 O GLY A 1 -25.002 -25.687 -9.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.495 -24.708 -9.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.663 -24.028 -7.797 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.868 -24.252 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.477 -26.175 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.645 -26.752 -8.816 1.00 0.00 H new ATOM 10 N VAL A 2 -25.092 -26.937 -7.328 1.00 0.00 N ATOM 11 CA VAL A 2 -23.656 -27.195 -7.300 1.00 0.00 C ATOM 12 C VAL A 2 -22.874 -25.904 -7.077 1.00 0.00 C ATOM 13 O VAL A 2 -23.440 -24.812 -7.117 1.00 0.00 O ATOM 14 CB VAL A 2 -23.167 -27.857 -8.606 1.00 0.00 C ATOM 15 CG1 VAL A 2 -21.943 -28.720 -8.342 1.00 0.00 C ATOM 16 CG2 VAL A 2 -24.274 -28.681 -9.248 1.00 0.00 C ATOM 0 H VAL A 2 -25.613 -27.368 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 2 -23.478 -27.880 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.889 -27.066 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.613 -29.178 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.142 -28.101 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.196 -29.500 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.903 -29.136 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -24.592 -29.463 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -25.121 -28.035 -9.480 1.00 0.00 H new ATOM 26 N ARG A 3 -21.574 -26.038 -6.841 1.00 0.00 N ATOM 27 CA ARG A 3 -20.716 -24.881 -6.612 1.00 0.00 C ATOM 28 C ARG A 3 -19.883 -24.566 -7.849 1.00 0.00 C ATOM 29 O ARG A 3 -19.567 -25.455 -8.639 1.00 0.00 O ATOM 30 CB ARG A 3 -19.795 -25.130 -5.414 1.00 0.00 C ATOM 31 CG ARG A 3 -20.250 -24.433 -4.142 1.00 0.00 C ATOM 32 CD ARG A 3 -19.440 -24.887 -2.938 1.00 0.00 C ATOM 33 NE ARG A 3 -19.137 -23.780 -2.034 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.174 -22.887 -2.252 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.420 -22.967 -3.342 1.00 0.00 N ATOM 36 NH2 ARG A 3 -17.965 -21.911 -1.380 1.00 0.00 N ATOM 0 H ARG A 3 -21.091 -26.936 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 3 -21.356 -24.025 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.735 -26.203 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.789 -24.793 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.152 -23.354 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.306 -24.640 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.993 -25.655 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.510 -25.343 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.696 -23.686 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.577 -23.715 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.684 -22.280 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.542 -21.844 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.227 -21.227 -1.547 1.00 0.00 H new ATOM 50 N LYS A 4 -19.522 -23.296 -8.006 1.00 0.00 N ATOM 51 CA LYS A 4 -18.716 -22.860 -9.137 1.00 0.00 C ATOM 52 C LYS A 4 -17.454 -23.699 -9.264 1.00 0.00 C ATOM 53 O LYS A 4 -16.987 -24.271 -8.279 1.00 0.00 O ATOM 54 CB LYS A 4 -18.283 -21.403 -8.948 1.00 0.00 C ATOM 55 CG LYS A 4 -19.365 -20.472 -8.409 1.00 0.00 C ATOM 56 CD LYS A 4 -18.771 -19.372 -7.533 1.00 0.00 C ATOM 57 CE LYS A 4 -19.046 -19.607 -6.054 1.00 0.00 C ATOM 58 NZ LYS A 4 -19.002 -21.053 -5.697 1.00 0.00 N ATOM 0 H LYS A 4 -19.777 -22.549 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.328 -22.970 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.432 -21.378 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.936 -21.016 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.908 -20.023 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.088 -21.048 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.695 -19.320 -7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.186 -18.409 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.311 -19.065 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.025 -19.201 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.721 -21.156 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.943 -21.474 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.312 -21.540 -6.304 1.00 0.00 H new ATOM 72 N GLY A 5 -16.857 -23.706 -10.454 1.00 0.00 N ATOM 73 CA GLY A 5 -15.597 -24.405 -10.630 1.00 0.00 C ATOM 74 C GLY A 5 -14.529 -23.575 -9.960 1.00 0.00 C ATOM 75 O GLY A 5 -13.671 -22.979 -10.612 1.00 0.00 O ATOM 0 H GLY A 5 -17.219 -23.246 -11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.644 -25.400 -10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.374 -24.536 -11.689 1.00 0.00 H new ATOM 79 N TRP A 6 -14.668 -23.465 -8.647 1.00 0.00 N ATOM 80 CA TRP A 6 -13.813 -22.628 -7.828 1.00 0.00 C ATOM 81 C TRP A 6 -12.526 -23.291 -7.373 1.00 0.00 C ATOM 82 O TRP A 6 -11.430 -22.856 -7.714 1.00 0.00 O ATOM 83 CB TRP A 6 -14.623 -22.268 -6.585 1.00 0.00 C ATOM 84 CG TRP A 6 -14.701 -20.818 -6.317 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.824 -20.057 -6.273 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.610 -19.957 -6.042 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.495 -18.760 -5.985 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.134 -18.675 -5.840 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.236 -20.152 -5.949 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.330 -17.589 -5.547 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.431 -19.078 -5.659 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.978 -17.802 -5.457 1.00 0.00 C ATOM 0 H TRP A 6 -15.386 -23.960 -8.118 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.514 -21.772 -8.432 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.634 -22.661 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.181 -22.763 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.827 -20.421 -6.440 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.153 -17.986 -5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.809 -21.132 -6.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.752 -16.607 -5.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.363 -19.217 -5.585 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.324 -16.974 -5.227 1.00 0.00 H new ATOM 103 N HIS A 7 -12.685 -24.316 -6.560 1.00 0.00 N ATOM 104 CA HIS A 7 -11.552 -25.034 -5.971 1.00 0.00 C ATOM 105 C HIS A 7 -10.651 -25.703 -7.006 1.00 0.00 C ATOM 106 O HIS A 7 -9.560 -26.167 -6.675 1.00 0.00 O ATOM 107 CB HIS A 7 -12.070 -26.095 -5.012 1.00 0.00 C ATOM 108 CG HIS A 7 -11.033 -26.605 -4.060 1.00 0.00 C ATOM 109 ND1 HIS A 7 -10.747 -25.992 -2.857 1.00 0.00 N ATOM 110 CD2 HIS A 7 -10.211 -27.678 -4.137 1.00 0.00 C ATOM 111 CE1 HIS A 7 -9.794 -26.665 -2.238 1.00 0.00 C ATOM 112 NE2 HIS A 7 -9.452 -27.693 -2.992 1.00 0.00 N ATOM 0 H HIS A 7 -13.597 -24.681 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.948 -24.289 -5.453 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.902 -25.681 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.464 -26.932 -5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.161 -28.390 -4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.367 -26.416 -1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.740 -28.386 -2.762 1.00 0.00 H new ATOM 121 N GLU A 8 -11.121 -25.792 -8.235 1.00 0.00 N ATOM 122 CA GLU A 8 -10.366 -26.456 -9.299 1.00 0.00 C ATOM 123 C GLU A 8 -8.882 -26.077 -9.315 1.00 0.00 C ATOM 124 O GLU A 8 -8.026 -26.959 -9.381 1.00 0.00 O ATOM 125 CB GLU A 8 -10.974 -26.145 -10.670 1.00 0.00 C ATOM 126 CG GLU A 8 -11.618 -24.771 -10.772 1.00 0.00 C ATOM 127 CD GLU A 8 -11.111 -23.975 -11.959 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.919 -23.603 -11.959 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.907 -23.724 -12.889 1.00 0.00 O ATOM 0 H GLU A 8 -12.022 -25.415 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.432 -27.523 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.194 -26.225 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.723 -26.902 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.699 -24.886 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.423 -24.214 -9.856 1.00 0.00 H new ATOM 136 N HIS A 9 -8.565 -24.784 -9.289 1.00 0.00 N ATOM 137 CA HIS A 9 -7.160 -24.370 -9.340 1.00 0.00 C ATOM 138 C HIS A 9 -6.785 -23.335 -8.276 1.00 0.00 C ATOM 139 O HIS A 9 -5.923 -22.488 -8.511 1.00 0.00 O ATOM 140 CB HIS A 9 -6.828 -23.826 -10.732 1.00 0.00 C ATOM 141 CG HIS A 9 -6.160 -24.828 -11.621 1.00 0.00 C ATOM 142 ND1 HIS A 9 -5.030 -24.542 -12.360 1.00 0.00 N ATOM 143 CD2 HIS A 9 -6.465 -26.119 -11.890 1.00 0.00 C ATOM 144 CE1 HIS A 9 -4.672 -25.613 -13.045 1.00 0.00 C ATOM 145 NE2 HIS A 9 -5.525 -26.584 -12.777 1.00 0.00 N ATOM 0 H HIS A 9 -9.240 -24.021 -9.234 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.569 -25.261 -9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.747 -23.485 -11.209 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.180 -22.955 -10.628 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.294 -26.679 -11.483 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.825 -25.682 -13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.492 -27.527 -13.165 1.00 0.00 H new ATOM 154 N VAL A 10 -7.391 -23.423 -7.099 1.00 0.00 N ATOM 155 CA VAL A 10 -7.054 -22.500 -6.013 1.00 0.00 C ATOM 156 C VAL A 10 -6.443 -23.275 -4.857 1.00 0.00 C ATOM 157 O VAL A 10 -5.456 -22.849 -4.261 1.00 0.00 O ATOM 158 CB VAL A 10 -8.263 -21.677 -5.502 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.870 -20.216 -5.335 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.454 -21.806 -6.438 1.00 0.00 C ATOM 0 H VAL A 10 -8.108 -24.111 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.340 -21.785 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.559 -22.076 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.728 -19.647 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.055 -20.138 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.545 -19.815 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.286 -21.217 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.180 -21.441 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.751 -22.852 -6.506 1.00 0.00 H new ATOM 170 N THR A 11 -7.025 -24.436 -4.568 1.00 0.00 N ATOM 171 CA THR A 11 -6.535 -25.309 -3.507 1.00 0.00 C ATOM 172 C THR A 11 -6.228 -24.535 -2.223 1.00 0.00 C ATOM 173 O THR A 11 -6.399 -23.319 -2.157 1.00 0.00 O ATOM 174 CB THR A 11 -5.285 -26.052 -3.987 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.138 -25.229 -3.868 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.374 -26.512 -5.431 1.00 0.00 C ATOM 0 H THR A 11 -7.844 -24.796 -5.059 1.00 0.00 H new ATOM 0 HA THR A 11 -7.323 -26.025 -3.274 1.00 0.00 H new ATOM 0 HB THR A 11 -5.210 -26.932 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.400 -24.288 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.455 -27.031 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.221 -27.189 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.510 -25.647 -6.081 1.00 0.00 H new ATOM 184 N GLN A 12 -5.782 -25.256 -1.202 1.00 0.00 N ATOM 185 CA GLN A 12 -5.453 -24.646 0.081 1.00 0.00 C ATOM 186 C GLN A 12 -4.129 -23.884 0.017 1.00 0.00 C ATOM 187 O GLN A 12 -4.028 -22.755 0.496 1.00 0.00 O ATOM 188 CB GLN A 12 -5.386 -25.714 1.174 1.00 0.00 C ATOM 189 CG GLN A 12 -4.247 -26.702 0.987 1.00 0.00 C ATOM 190 CD GLN A 12 -4.285 -27.832 1.998 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.265 -29.008 1.633 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.340 -27.481 3.277 1.00 0.00 N ATOM 0 H GLN A 12 -5.639 -26.265 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.242 -23.933 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.277 -25.225 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.330 -26.259 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.293 -27.118 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.296 -26.175 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.355 -26.494 3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.367 -28.198 4.002 1.00 0.00 H new ATOM 201 N ASP A 13 -3.112 -24.520 -0.558 1.00 0.00 N ATOM 202 CA ASP A 13 -1.787 -23.912 -0.664 1.00 0.00 C ATOM 203 C ASP A 13 -1.751 -22.796 -1.705 1.00 0.00 C ATOM 204 O ASP A 13 -1.381 -21.663 -1.397 1.00 0.00 O ATOM 205 CB ASP A 13 -0.745 -24.977 -1.012 1.00 0.00 C ATOM 206 CG ASP A 13 0.641 -24.614 -0.519 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.114 -23.503 -0.841 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.254 -25.438 0.192 1.00 0.00 O ATOM 0 H ASP A 13 -3.179 -25.456 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.553 -23.471 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.044 -25.930 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.718 -25.115 -2.093 1.00 0.00 H new ATOM 213 N LEU A 14 -2.128 -23.119 -2.939 1.00 0.00 N ATOM 214 CA LEU A 14 -2.125 -22.133 -4.016 1.00 0.00 C ATOM 215 C LEU A 14 -2.959 -20.912 -3.645 1.00 0.00 C ATOM 216 O LEU A 14 -2.684 -19.799 -4.095 1.00 0.00 O ATOM 217 CB LEU A 14 -2.648 -22.753 -5.315 1.00 0.00 C ATOM 218 CG LEU A 14 -1.991 -22.229 -6.594 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.384 -20.781 -6.840 1.00 0.00 C ATOM 220 CD2 LEU A 14 -0.478 -22.367 -6.512 1.00 0.00 C ATOM 0 H LEU A 14 -2.438 -24.050 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.095 -21.810 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.505 -23.833 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.722 -22.576 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.345 -22.828 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.908 -20.425 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.467 -20.710 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.060 -20.168 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.028 -21.989 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.106 -21.794 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.215 -23.417 -6.384 1.00 0.00 H new ATOM 232 N ARG A 15 -3.978 -21.125 -2.818 1.00 0.00 N ATOM 233 CA ARG A 15 -4.848 -20.038 -2.383 1.00 0.00 C ATOM 234 C ARG A 15 -4.104 -19.095 -1.440 1.00 0.00 C ATOM 235 O ARG A 15 -4.327 -17.885 -1.454 1.00 0.00 O ATOM 236 CB ARG A 15 -6.093 -20.601 -1.692 1.00 0.00 C ATOM 237 CG ARG A 15 -6.993 -19.535 -1.088 1.00 0.00 C ATOM 238 CD ARG A 15 -8.106 -20.151 -0.255 1.00 0.00 C ATOM 239 NE ARG A 15 -9.120 -19.168 0.118 1.00 0.00 N ATOM 240 CZ ARG A 15 -10.017 -19.358 1.083 1.00 0.00 C ATOM 241 NH1 ARG A 15 -10.030 -20.490 1.774 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.905 -18.411 1.357 1.00 0.00 N ATOM 0 H ARG A 15 -4.221 -22.039 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.157 -19.473 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.667 -21.182 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.781 -21.289 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.399 -18.866 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.426 -18.929 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.574 -20.959 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.682 -20.594 0.646 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.142 -18.284 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.350 -21.222 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.720 -20.629 2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.900 -17.539 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.593 -18.555 2.096 1.00 0.00 H new ATOM 256 N SER A 16 -3.220 -19.659 -0.622 1.00 0.00 N ATOM 257 CA SER A 16 -2.444 -18.869 0.328 1.00 0.00 C ATOM 258 C SER A 16 -1.413 -18.008 -0.395 1.00 0.00 C ATOM 259 O SER A 16 -1.107 -16.896 0.034 1.00 0.00 O ATOM 260 CB SER A 16 -1.745 -19.785 1.334 1.00 0.00 C ATOM 261 OG SER A 16 -1.616 -19.152 2.595 1.00 0.00 O ATOM 0 H SER A 16 -3.023 -20.660 -0.598 1.00 0.00 H new ATOM 0 HA SER A 16 -3.130 -18.211 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.312 -20.710 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.759 -20.058 0.958 1.00 0.00 H new ATOM 0 HG SER A 16 -1.168 -19.758 3.221 1.00 0.00 H new ATOM 267 N HIS A 17 -0.879 -18.530 -1.496 1.00 0.00 N ATOM 268 CA HIS A 17 0.118 -17.809 -2.279 1.00 0.00 C ATOM 269 C HIS A 17 -0.427 -16.462 -2.744 1.00 0.00 C ATOM 270 O HIS A 17 0.322 -15.499 -2.903 1.00 0.00 O ATOM 271 CB HIS A 17 0.549 -18.642 -3.487 1.00 0.00 C ATOM 272 CG HIS A 17 1.885 -18.250 -4.039 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.332 -16.946 -4.074 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.875 -19.000 -4.579 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.538 -16.911 -4.612 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.890 -18.144 -4.927 1.00 0.00 N ATOM 0 H HIS A 17 -1.121 -19.450 -1.865 1.00 0.00 H new ATOM 0 HA HIS A 17 0.985 -17.631 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.577 -19.694 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.202 -18.545 -4.271 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.813 -16.135 -3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.867 -20.072 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.135 -16.024 -4.768 1.00 0.00 H new ATOM 285 N LEU A 18 -1.737 -16.402 -2.960 1.00 0.00 N ATOM 286 CA LEU A 18 -2.385 -15.175 -3.405 1.00 0.00 C ATOM 287 C LEU A 18 -2.615 -14.224 -2.233 1.00 0.00 C ATOM 288 O LEU A 18 -2.685 -13.008 -2.413 1.00 0.00 O ATOM 289 CB LEU A 18 -3.715 -15.495 -4.089 1.00 0.00 C ATOM 290 CG LEU A 18 -3.596 -16.266 -5.405 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.701 -17.305 -5.519 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.636 -15.311 -6.588 1.00 0.00 C ATOM 0 H LEU A 18 -2.371 -17.191 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.726 -14.685 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.330 -16.074 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.243 -14.560 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.637 -16.784 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.599 -17.843 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.626 -18.009 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.671 -16.809 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.550 -15.877 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.579 -14.764 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.808 -14.606 -6.515 1.00 0.00 H new ATOM 304 N VAL A 19 -2.734 -14.785 -1.034 1.00 0.00 N ATOM 305 CA VAL A 19 -2.955 -13.986 0.165 1.00 0.00 C ATOM 306 C VAL A 19 -1.759 -13.081 0.451 1.00 0.00 C ATOM 307 O VAL A 19 -1.906 -12.009 1.036 1.00 0.00 O ATOM 308 CB VAL A 19 -3.219 -14.877 1.393 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.566 -14.030 2.608 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.327 -15.877 1.099 1.00 0.00 C ATOM 0 H VAL A 19 -2.681 -15.790 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.835 -13.371 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.308 -15.432 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.749 -14.679 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.737 -13.359 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.461 -13.444 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.499 -16.498 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.243 -15.342 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.034 -16.509 0.261 1.00 0.00 H new ATOM 320 N HIS A 20 -0.576 -13.522 0.034 1.00 0.00 N ATOM 321 CA HIS A 20 0.644 -12.752 0.246 1.00 0.00 C ATOM 322 C HIS A 20 0.688 -11.531 -0.668 1.00 0.00 C ATOM 323 O HIS A 20 1.275 -10.507 -0.322 1.00 0.00 O ATOM 324 CB HIS A 20 1.874 -13.630 0.002 1.00 0.00 C ATOM 325 CG HIS A 20 2.265 -14.453 1.189 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.407 -15.227 1.225 1.00 0.00 N ATOM 327 CD2 HIS A 20 1.661 -14.623 2.389 1.00 0.00 C ATOM 328 CE1 HIS A 20 3.486 -15.837 2.395 1.00 0.00 C ATOM 329 NE2 HIS A 20 2.440 -15.487 3.118 1.00 0.00 N ATOM 0 H HIS A 20 -0.437 -14.408 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 20 0.649 -12.407 1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.676 -14.293 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.713 -12.995 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.738 -14.164 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.273 -16.508 2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.242 -15.807 4.066 1.00 0.00 H new ATOM 338 N LYS A 21 0.061 -11.646 -1.835 1.00 0.00 N ATOM 339 CA LYS A 21 0.030 -10.549 -2.796 1.00 0.00 C ATOM 340 C LYS A 21 -0.580 -9.297 -2.173 1.00 0.00 C ATOM 341 O LYS A 21 -0.072 -8.190 -2.356 1.00 0.00 O ATOM 342 CB LYS A 21 -0.764 -10.953 -4.040 1.00 0.00 C ATOM 343 CG LYS A 21 0.086 -11.605 -5.118 1.00 0.00 C ATOM 344 CD LYS A 21 -0.753 -12.015 -6.318 1.00 0.00 C ATOM 345 CE LYS A 21 0.047 -11.939 -7.609 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.790 -11.486 -8.755 1.00 0.00 N ATOM 0 H LYS A 21 -0.432 -12.486 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 21 1.056 -10.325 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.556 -11.642 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.248 -10.069 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.865 -10.912 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.587 -12.481 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.121 -13.031 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.626 -11.367 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.884 -11.253 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.469 -12.919 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.208 -11.447 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.575 -12.154 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.173 -10.540 -8.553 1.00 0.00 H new ATOM 360 N LEU A 22 -1.669 -9.481 -1.434 1.00 0.00 N ATOM 361 CA LEU A 22 -2.344 -8.366 -0.780 1.00 0.00 C ATOM 362 C LEU A 22 -1.412 -7.674 0.208 1.00 0.00 C ATOM 363 O LEU A 22 -1.481 -6.460 0.398 1.00 0.00 O ATOM 364 CB LEU A 22 -3.601 -8.855 -0.057 1.00 0.00 C ATOM 365 CG LEU A 22 -4.575 -9.661 -0.917 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.813 -10.032 -0.115 1.00 0.00 C ATOM 367 CD2 LEU A 22 -4.959 -8.875 -2.162 1.00 0.00 C ATOM 0 H LEU A 22 -2.102 -10.390 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.633 -7.647 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.297 -9.468 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.128 -7.991 0.347 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.081 -10.581 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.495 -10.605 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.522 -10.633 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.311 -9.124 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.653 -9.462 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.435 -7.939 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.065 -8.659 -2.746 1.00 0.00 H new ATOM 379 N VAL A 23 -0.539 -8.458 0.833 1.00 0.00 N ATOM 380 CA VAL A 23 0.410 -7.924 1.802 1.00 0.00 C ATOM 381 C VAL A 23 1.572 -7.225 1.104 1.00 0.00 C ATOM 382 O VAL A 23 2.164 -6.292 1.649 1.00 0.00 O ATOM 383 CB VAL A 23 0.966 -9.037 2.712 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.826 -8.445 3.818 1.00 0.00 C ATOM 385 CG2 VAL A 23 -0.170 -9.865 3.295 1.00 0.00 C ATOM 0 H VAL A 23 -0.470 -9.465 0.685 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.131 -7.201 2.412 1.00 0.00 H new ATOM 0 HB VAL A 23 1.594 -9.694 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.209 -9.247 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.661 -7.900 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.225 -7.764 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.240 -10.646 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.825 -9.222 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.740 -10.321 2.486 1.00 0.00 H new ATOM 395 N GLN A 24 1.893 -7.681 -0.102 1.00 0.00 N ATOM 396 CA GLN A 24 2.986 -7.097 -0.873 1.00 0.00 C ATOM 397 C GLN A 24 2.568 -5.764 -1.487 1.00 0.00 C ATOM 398 O GLN A 24 3.364 -4.829 -1.564 1.00 0.00 O ATOM 399 CB GLN A 24 3.433 -8.061 -1.974 1.00 0.00 C ATOM 400 CG GLN A 24 4.606 -7.548 -2.792 1.00 0.00 C ATOM 401 CD GLN A 24 4.533 -7.972 -4.245 1.00 0.00 C ATOM 402 OE1 GLN A 24 3.941 -8.999 -4.576 1.00 0.00 O ATOM 403 NE2 GLN A 24 5.137 -7.179 -5.124 1.00 0.00 N ATOM 0 H GLN A 24 1.413 -8.452 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 24 3.821 -6.918 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.706 -9.015 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.592 -8.253 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.635 -6.460 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.536 -7.914 -2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.616 -6.337 -4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.121 -7.413 -6.117 1.00 0.00 H new ATOM 412 N ALA A 25 1.315 -5.687 -1.924 1.00 0.00 N ATOM 413 CA ALA A 25 0.792 -4.468 -2.532 1.00 0.00 C ATOM 414 C ALA A 25 0.898 -3.286 -1.574 1.00 0.00 C ATOM 415 O ALA A 25 1.252 -2.178 -1.975 1.00 0.00 O ATOM 416 CB ALA A 25 -0.652 -4.672 -2.963 1.00 0.00 C ATOM 0 H ALA A 25 0.644 -6.453 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 25 1.395 -4.243 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.030 -3.755 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.704 -5.483 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.259 -4.925 -2.094 1.00 0.00 H new ATOM 422 N ILE A 26 0.588 -3.532 -0.305 1.00 0.00 N ATOM 423 CA ILE A 26 0.648 -2.488 0.711 1.00 0.00 C ATOM 424 C ILE A 26 2.091 -2.135 1.053 1.00 0.00 C ATOM 425 O ILE A 26 2.456 -0.961 1.118 1.00 0.00 O ATOM 426 CB ILE A 26 -0.082 -2.915 1.999 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.475 -3.453 1.667 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.177 -1.745 2.968 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.253 -3.906 2.883 1.00 0.00 C ATOM 0 H ILE A 26 0.293 -4.444 0.044 1.00 0.00 H new ATOM 0 HA ILE A 26 0.152 -1.612 0.293 1.00 0.00 H new ATOM 0 HB ILE A 26 0.490 -3.711 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.042 -2.678 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.377 -4.290 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.695 -2.063 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.826 -1.403 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.729 -0.930 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.231 -4.275 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.707 -4.703 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.382 -3.066 3.566 1.00 0.00 H new ATOM 441 N PHE A 27 2.910 -3.160 1.269 1.00 0.00 N ATOM 442 CA PHE A 27 4.315 -2.957 1.603 1.00 0.00 C ATOM 443 C PHE A 27 5.212 -3.855 0.751 1.00 0.00 C ATOM 444 O PHE A 27 5.769 -4.837 1.242 1.00 0.00 O ATOM 445 CB PHE A 27 4.553 -3.239 3.089 1.00 0.00 C ATOM 446 CG PHE A 27 5.611 -2.368 3.702 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.823 -2.172 3.060 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.393 -1.744 4.920 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.799 -1.372 3.622 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.366 -0.942 5.487 1.00 0.00 C ATOM 451 CZ PHE A 27 7.571 -0.756 4.837 1.00 0.00 C ATOM 0 H PHE A 27 2.625 -4.138 1.219 1.00 0.00 H new ATOM 0 HA PHE A 27 4.567 -1.918 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.618 -3.098 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.838 -4.284 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.007 -2.650 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.453 -1.886 5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.740 -1.228 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.184 -0.461 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.333 -0.130 5.278 1.00 0.00 H new ATOM 461 N PRO A 28 5.360 -3.526 -0.544 1.00 0.00 N ATOM 462 CA PRO A 28 6.192 -4.307 -1.467 1.00 0.00 C ATOM 463 C PRO A 28 7.634 -4.432 -0.988 1.00 0.00 C ATOM 464 O PRO A 28 8.114 -5.532 -0.713 1.00 0.00 O ATOM 465 CB PRO A 28 6.132 -3.508 -2.773 1.00 0.00 C ATOM 466 CG PRO A 28 4.890 -2.691 -2.669 1.00 0.00 C ATOM 467 CD PRO A 28 4.729 -2.374 -1.210 1.00 0.00 C ATOM 0 HA PRO A 28 5.834 -5.332 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.012 -2.875 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.098 -4.169 -3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.971 -1.779 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.028 -3.240 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.219 -1.437 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.680 -2.274 -0.933 1.00 0.00 H new ATOM 475 N THR A 29 8.321 -3.299 -0.890 1.00 0.00 N ATOM 476 CA THR A 29 9.711 -3.283 -0.446 1.00 0.00 C ATOM 477 C THR A 29 9.839 -3.857 0.964 1.00 0.00 C ATOM 478 O THR A 29 9.003 -3.594 1.827 1.00 0.00 O ATOM 479 CB THR A 29 10.262 -1.858 -0.479 1.00 0.00 C ATOM 480 OG1 THR A 29 9.323 -0.943 0.057 1.00 0.00 O ATOM 481 CG2 THR A 29 10.618 -1.386 -1.873 1.00 0.00 C ATOM 0 H THR A 29 7.939 -2.380 -1.112 1.00 0.00 H new ATOM 0 HA THR A 29 10.291 -3.906 -1.127 1.00 0.00 H new ATOM 0 HB THR A 29 11.171 -1.887 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.797 -0.186 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.003 -0.367 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.379 -2.042 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.729 -1.409 -2.503 1.00 0.00 H new ATOM 489 N PRO A 30 10.893 -4.653 1.221 1.00 0.00 N ATOM 490 CA PRO A 30 11.120 -5.260 2.537 1.00 0.00 C ATOM 491 C PRO A 30 11.153 -4.221 3.654 1.00 0.00 C ATOM 492 O PRO A 30 11.443 -3.049 3.417 1.00 0.00 O ATOM 493 CB PRO A 30 12.490 -5.930 2.395 1.00 0.00 C ATOM 494 CG PRO A 30 12.653 -6.162 0.933 1.00 0.00 C ATOM 495 CD PRO A 30 11.944 -5.024 0.254 1.00 0.00 C ATOM 0 HA PRO A 30 10.321 -5.950 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.284 -5.293 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.531 -6.867 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.707 -6.186 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.224 -7.120 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.619 -4.192 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.521 -5.328 -0.703 1.00 0.00 H new ATOM 503 N ASP A 31 10.852 -4.660 4.871 1.00 0.00 N ATOM 504 CA ASP A 31 10.848 -3.771 6.025 1.00 0.00 C ATOM 505 C ASP A 31 11.071 -4.556 7.316 1.00 0.00 C ATOM 506 O ASP A 31 10.137 -4.780 8.085 1.00 0.00 O ATOM 507 CB ASP A 31 9.524 -3.006 6.100 1.00 0.00 C ATOM 508 CG ASP A 31 8.319 -3.928 6.076 1.00 0.00 C ATOM 509 OD1 ASP A 31 8.504 -5.144 5.855 1.00 0.00 O ATOM 510 OD2 ASP A 31 7.190 -3.434 6.277 1.00 0.00 O ATOM 0 H ASP A 31 10.607 -5.627 5.083 1.00 0.00 H new ATOM 0 HA ASP A 31 11.665 -3.059 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.503 -2.410 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.462 -2.310 5.263 1.00 0.00 H new ATOM 515 N PRO A 32 12.319 -4.984 7.570 1.00 0.00 N ATOM 516 CA PRO A 32 12.663 -5.745 8.775 1.00 0.00 C ATOM 517 C PRO A 32 12.301 -4.993 10.050 1.00 0.00 C ATOM 518 O PRO A 32 12.065 -5.598 11.096 1.00 0.00 O ATOM 519 CB PRO A 32 14.184 -5.931 8.674 1.00 0.00 C ATOM 520 CG PRO A 32 14.639 -4.931 7.664 1.00 0.00 C ATOM 521 CD PRO A 32 13.492 -4.758 6.712 1.00 0.00 C ATOM 0 HA PRO A 32 12.116 -6.686 8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.665 -5.763 9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.436 -6.945 8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.898 -3.985 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.530 -5.280 7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.482 -3.763 6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.536 -5.474 5.891 1.00 0.00 H new ATOM 529 N ALA A 33 12.251 -3.668 9.954 1.00 0.00 N ATOM 530 CA ALA A 33 11.912 -2.832 11.097 1.00 0.00 C ATOM 531 C ALA A 33 10.404 -2.800 11.324 1.00 0.00 C ATOM 532 O ALA A 33 9.940 -2.540 12.434 1.00 0.00 O ATOM 533 CB ALA A 33 12.446 -1.422 10.896 1.00 0.00 C ATOM 0 H ALA A 33 12.441 -3.151 9.095 1.00 0.00 H new ATOM 0 HA ALA A 33 12.379 -3.263 11.983 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.185 -0.808 11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.530 -1.455 10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.006 -0.991 9.997 1.00 0.00 H new ATOM 539 N ALA A 34 9.642 -3.067 10.266 1.00 0.00 N ATOM 540 CA ALA A 34 8.188 -3.066 10.357 1.00 0.00 C ATOM 541 C ALA A 34 7.686 -4.269 11.147 1.00 0.00 C ATOM 542 O ALA A 34 6.709 -4.174 11.888 1.00 0.00 O ATOM 543 CB ALA A 34 7.571 -3.049 8.967 1.00 0.00 C ATOM 0 H ALA A 34 10.008 -3.286 9.339 1.00 0.00 H new ATOM 0 HA ALA A 34 7.883 -2.164 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.484 -3.048 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.894 -2.153 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.892 -3.933 8.416 1.00 0.00 H new ATOM 549 N LEU A 35 8.365 -5.401 10.986 1.00 0.00 N ATOM 550 CA LEU A 35 7.989 -6.622 11.689 1.00 0.00 C ATOM 551 C LEU A 35 7.981 -6.398 13.197 1.00 0.00 C ATOM 552 O LEU A 35 7.223 -7.038 13.927 1.00 0.00 O ATOM 553 CB LEU A 35 8.951 -7.759 11.334 1.00 0.00 C ATOM 554 CG LEU A 35 9.291 -7.882 9.846 1.00 0.00 C ATOM 555 CD1 LEU A 35 10.083 -9.153 9.585 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.023 -7.860 9.005 1.00 0.00 C ATOM 0 H LEU A 35 9.177 -5.498 10.376 1.00 0.00 H new ATOM 0 HA LEU A 35 6.983 -6.898 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.877 -7.618 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.516 -8.700 11.670 1.00 0.00 H new ATOM 0 HG LEU A 35 9.906 -7.028 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.316 -9.225 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.009 -9.129 10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.492 -10.018 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.284 -7.948 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.382 -8.694 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.493 -6.922 9.170 1.00 0.00 H new ATOM 568 N LYS A 36 8.824 -5.480 13.656 1.00 0.00 N ATOM 569 CA LYS A 36 8.911 -5.163 15.075 1.00 0.00 C ATOM 570 C LYS A 36 7.846 -4.145 15.470 1.00 0.00 C ATOM 571 O LYS A 36 7.429 -4.088 16.627 1.00 0.00 O ATOM 572 CB LYS A 36 10.302 -4.621 15.413 1.00 0.00 C ATOM 573 CG LYS A 36 10.650 -4.718 16.890 1.00 0.00 C ATOM 574 CD LYS A 36 11.644 -3.643 17.299 1.00 0.00 C ATOM 575 CE LYS A 36 13.033 -3.931 16.753 1.00 0.00 C ATOM 576 NZ LYS A 36 14.101 -3.404 17.646 1.00 0.00 N ATOM 0 H LYS A 36 9.457 -4.942 13.065 1.00 0.00 H new ATOM 0 HA LYS A 36 8.739 -6.080 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.047 -5.169 14.836 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.362 -3.578 15.102 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.742 -4.622 17.486 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.068 -5.702 17.103 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.303 -2.674 16.936 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.685 -3.579 18.386 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.159 -5.007 16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.134 -3.485 15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.033 -3.621 17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.996 -2.374 17.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.021 -3.849 18.583 1.00 0.00 H new ATOM 590 N ASP A 37 7.406 -3.346 14.502 1.00 0.00 N ATOM 591 CA ASP A 37 6.387 -2.332 14.755 1.00 0.00 C ATOM 592 C ASP A 37 5.040 -2.981 15.055 1.00 0.00 C ATOM 593 O ASP A 37 4.633 -3.929 14.384 1.00 0.00 O ATOM 594 CB ASP A 37 6.260 -1.397 13.552 1.00 0.00 C ATOM 595 CG ASP A 37 7.439 -0.451 13.427 1.00 0.00 C ATOM 596 OD1 ASP A 37 8.578 -0.883 13.702 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.223 0.721 13.054 1.00 0.00 O ATOM 0 H ASP A 37 7.738 -3.381 13.538 1.00 0.00 H new ATOM 0 HA ASP A 37 6.693 -1.752 15.626 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.176 -1.990 12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.341 -0.818 13.641 1.00 0.00 H new ATOM 602 N ARG A 38 4.353 -2.465 16.069 1.00 0.00 N ATOM 603 CA ARG A 38 3.052 -2.996 16.460 1.00 0.00 C ATOM 604 C ARG A 38 1.990 -2.658 15.419 1.00 0.00 C ATOM 605 O ARG A 38 1.052 -3.425 15.203 1.00 0.00 O ATOM 606 CB ARG A 38 2.641 -2.439 17.824 1.00 0.00 C ATOM 607 CG ARG A 38 3.715 -2.581 18.889 1.00 0.00 C ATOM 608 CD ARG A 38 3.930 -4.036 19.273 1.00 0.00 C ATOM 609 NE ARG A 38 5.078 -4.621 18.583 1.00 0.00 N ATOM 610 CZ ARG A 38 5.686 -5.739 18.973 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.260 -6.396 20.044 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.724 -6.202 18.288 1.00 0.00 N ATOM 0 H ARG A 38 4.675 -1.680 16.635 1.00 0.00 H new ATOM 0 HA ARG A 38 3.135 -4.081 16.527 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.387 -1.385 17.715 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.739 -2.951 18.159 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.650 -2.158 18.522 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.431 -2.009 19.772 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.079 -4.108 20.350 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.034 -4.610 19.036 1.00 0.00 H new ATOM 0 HE ARG A 38 5.434 -4.145 17.754 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.462 -6.045 20.574 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.730 -7.252 20.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.055 -5.701 17.463 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.191 -7.059 18.586 1.00 0.00 H new ATOM 626 N ARG A 39 2.143 -1.504 14.775 1.00 0.00 N ATOM 627 CA ARG A 39 1.196 -1.063 13.756 1.00 0.00 C ATOM 628 C ARG A 39 1.055 -2.105 12.650 1.00 0.00 C ATOM 629 O ARG A 39 -0.008 -2.241 12.045 1.00 0.00 O ATOM 630 CB ARG A 39 1.642 0.274 13.158 1.00 0.00 C ATOM 631 CG ARG A 39 3.135 0.347 12.876 1.00 0.00 C ATOM 632 CD ARG A 39 3.421 0.998 11.532 1.00 0.00 C ATOM 633 NE ARG A 39 3.085 0.119 10.414 1.00 0.00 N ATOM 634 CZ ARG A 39 1.959 0.205 9.706 1.00 0.00 C ATOM 635 NH1 ARG A 39 1.043 1.122 9.998 1.00 0.00 N ATOM 636 NH2 ARG A 39 1.747 -0.633 8.701 1.00 0.00 N ATOM 0 H ARG A 39 2.914 -0.857 14.941 1.00 0.00 H new ATOM 0 HA ARG A 39 0.225 -0.935 14.234 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.097 0.448 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.370 1.077 13.843 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.628 0.913 13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.558 -0.657 12.891 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.851 1.923 11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.476 1.267 11.477 1.00 0.00 H new ATOM 0 HE ARG A 39 3.755 -0.607 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.198 1.769 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.185 1.179 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.445 -1.341 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.886 -0.570 8.157 1.00 0.00 H new ATOM 650 N MET A 40 2.134 -2.838 12.392 1.00 0.00 N ATOM 651 CA MET A 40 2.132 -3.869 11.360 1.00 0.00 C ATOM 652 C MET A 40 1.006 -4.875 11.587 1.00 0.00 C ATOM 653 O MET A 40 0.547 -5.528 10.650 1.00 0.00 O ATOM 654 CB MET A 40 3.480 -4.593 11.331 1.00 0.00 C ATOM 655 CG MET A 40 3.725 -5.373 10.050 1.00 0.00 C ATOM 656 SD MET A 40 4.314 -4.330 8.703 1.00 0.00 S ATOM 657 CE MET A 40 3.978 -5.377 7.290 1.00 0.00 C ATOM 0 H MET A 40 3.022 -2.737 12.884 1.00 0.00 H new ATOM 0 HA MET A 40 1.966 -3.381 10.399 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.278 -3.862 11.460 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.534 -5.276 12.178 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.456 -6.159 10.242 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.801 -5.864 9.746 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.385 -4.915 6.390 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.443 -6.351 7.440 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.901 -5.503 7.178 1.00 0.00 H new ATOM 667 N GLU A 41 0.564 -4.996 12.837 1.00 0.00 N ATOM 668 CA GLU A 41 -0.509 -5.923 13.182 1.00 0.00 C ATOM 669 C GLU A 41 -1.748 -5.664 12.329 1.00 0.00 C ATOM 670 O GLU A 41 -2.534 -6.575 12.065 1.00 0.00 O ATOM 671 CB GLU A 41 -0.860 -5.802 14.666 1.00 0.00 C ATOM 672 CG GLU A 41 -1.480 -4.465 15.039 1.00 0.00 C ATOM 673 CD GLU A 41 -1.267 -4.112 16.499 1.00 0.00 C ATOM 674 OE1 GLU A 41 -1.158 -5.042 17.325 1.00 0.00 O ATOM 675 OE2 GLU A 41 -1.210 -2.905 16.815 1.00 0.00 O ATOM 0 H GLU A 41 0.932 -4.464 13.626 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.159 -6.936 12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.552 -6.601 14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.043 -5.952 15.258 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.051 -3.682 14.413 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.549 -4.492 14.828 1.00 0.00 H new ATOM 682 N ASN A 42 -1.916 -4.417 11.901 1.00 0.00 N ATOM 683 CA ASN A 42 -3.059 -4.039 11.077 1.00 0.00 C ATOM 684 C ASN A 42 -2.842 -4.456 9.626 1.00 0.00 C ATOM 685 O ASN A 42 -3.789 -4.813 8.925 1.00 0.00 O ATOM 686 CB ASN A 42 -3.296 -2.530 11.158 1.00 0.00 C ATOM 687 CG ASN A 42 -3.892 -2.108 12.486 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.070 -2.102 13.528 1.00 0.00 O flip ATOM 689 ND2 ASN A 42 -5.079 -1.791 12.574 1.00 0.00 N flip ATOM 0 H ASN A 42 -1.276 -3.651 12.111 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.939 -4.557 11.458 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.351 -2.008 11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.963 -2.226 10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.675 -1.810 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.466 -1.509 13.475 1.00 0.00 H new ATOM 696 N LEU A 43 -1.590 -4.409 9.183 1.00 0.00 N ATOM 697 CA LEU A 43 -1.251 -4.783 7.816 1.00 0.00 C ATOM 698 C LEU A 43 -1.625 -6.238 7.542 1.00 0.00 C ATOM 699 O LEU A 43 -2.078 -6.578 6.450 1.00 0.00 O ATOM 700 CB LEU A 43 0.244 -4.568 7.562 1.00 0.00 C ATOM 701 CG LEU A 43 0.573 -3.680 6.360 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.957 -3.067 6.513 1.00 0.00 C ATOM 703 CD2 LEU A 43 0.481 -4.479 5.068 1.00 0.00 C ATOM 0 H LEU A 43 -0.795 -4.116 9.750 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.821 -4.148 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.689 -4.127 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.716 -5.540 7.417 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.157 -2.872 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.174 -2.439 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.989 -2.462 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.701 -3.861 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.718 -3.833 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.189 -5.307 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.530 -4.870 4.953 1.00 0.00 H new ATOM 715 N VAL A 44 -1.433 -7.090 8.544 1.00 0.00 N ATOM 716 CA VAL A 44 -1.751 -8.506 8.415 1.00 0.00 C ATOM 717 C VAL A 44 -3.247 -8.749 8.577 1.00 0.00 C ATOM 718 O VAL A 44 -3.899 -9.290 7.685 1.00 0.00 O ATOM 719 CB VAL A 44 -0.991 -9.349 9.456 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.205 -10.833 9.204 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.491 -9.005 9.441 1.00 0.00 C ATOM 0 H VAL A 44 -1.058 -6.823 9.455 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.441 -8.810 7.415 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.385 -9.114 10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.660 -11.411 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.268 -11.064 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.841 -11.089 8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.012 -9.610 10.183 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.902 -9.209 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.622 -7.949 9.677 1.00 0.00 H new ATOM 731 N ALA A 45 -3.784 -8.344 9.724 1.00 0.00 N ATOM 732 CA ALA A 45 -5.206 -8.517 10.008 1.00 0.00 C ATOM 733 C ALA A 45 -6.066 -7.937 8.891 1.00 0.00 C ATOM 734 O ALA A 45 -7.143 -8.453 8.590 1.00 0.00 O ATOM 735 CB ALA A 45 -5.559 -7.869 11.339 1.00 0.00 C ATOM 0 H ALA A 45 -3.257 -7.894 10.472 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.411 -9.586 10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.622 -8.005 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.977 -8.333 12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.331 -6.804 11.297 1.00 0.00 H new ATOM 741 N TYR A 46 -5.583 -6.861 8.276 1.00 0.00 N ATOM 742 CA TYR A 46 -6.308 -6.214 7.189 1.00 0.00 C ATOM 743 C TYR A 46 -6.456 -7.158 6.000 1.00 0.00 C ATOM 744 O TYR A 46 -7.560 -7.381 5.506 1.00 0.00 O ATOM 745 CB TYR A 46 -5.584 -4.937 6.755 1.00 0.00 C ATOM 746 CG TYR A 46 -6.269 -4.205 5.623 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.985 -4.514 4.299 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.199 -3.205 5.878 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.608 -3.848 3.261 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.828 -2.535 4.845 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.528 -2.860 3.539 1.00 0.00 C ATOM 752 OH TYR A 46 -8.151 -2.194 2.509 1.00 0.00 O ATOM 0 H TYR A 46 -4.694 -6.420 8.512 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.303 -5.954 7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.501 -4.268 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.569 -5.191 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.265 -5.288 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.435 -2.947 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.375 -4.100 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.550 -1.761 5.060 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.123 -2.262 2.616 1.00 0.00 H new ATOM 762 N ALA A 47 -5.335 -7.710 5.548 1.00 0.00 N ATOM 763 CA ALA A 47 -5.340 -8.632 4.420 1.00 0.00 C ATOM 764 C ALA A 47 -6.211 -9.851 4.709 1.00 0.00 C ATOM 765 O ALA A 47 -6.764 -10.462 3.795 1.00 0.00 O ATOM 766 CB ALA A 47 -3.919 -9.064 4.088 1.00 0.00 C ATOM 0 H ALA A 47 -4.412 -7.535 5.946 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.763 -8.113 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.936 -9.753 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.323 -8.188 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.478 -9.561 4.952 1.00 0.00 H new ATOM 772 N LYS A 48 -6.328 -10.199 5.988 1.00 0.00 N ATOM 773 CA LYS A 48 -7.131 -11.346 6.397 1.00 0.00 C ATOM 774 C LYS A 48 -8.614 -11.100 6.137 1.00 0.00 C ATOM 775 O LYS A 48 -9.340 -12.003 5.721 1.00 0.00 O ATOM 776 CB LYS A 48 -6.906 -11.648 7.879 1.00 0.00 C ATOM 777 CG LYS A 48 -5.774 -12.629 8.136 1.00 0.00 C ATOM 778 CD LYS A 48 -5.063 -12.331 9.446 1.00 0.00 C ATOM 779 CE LYS A 48 -3.942 -13.323 9.710 1.00 0.00 C ATOM 780 NZ LYS A 48 -3.760 -13.581 11.165 1.00 0.00 N ATOM 0 H LYS A 48 -5.877 -9.703 6.757 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.817 -12.205 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.694 -10.716 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.826 -12.049 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.170 -13.644 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.059 -12.584 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.657 -11.320 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.780 -12.364 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.160 -14.261 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.012 -12.940 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.987 -14.262 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.527 -12.690 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.639 -13.971 11.561 1.00 0.00 H new ATOM 794 N LYS A 49 -9.060 -9.873 6.387 1.00 0.00 N ATOM 795 CA LYS A 49 -10.459 -9.513 6.180 1.00 0.00 C ATOM 796 C LYS A 49 -10.737 -9.214 4.709 1.00 0.00 C ATOM 797 O LYS A 49 -11.810 -9.527 4.195 1.00 0.00 O ATOM 798 CB LYS A 49 -10.828 -8.301 7.037 1.00 0.00 C ATOM 799 CG LYS A 49 -9.963 -7.080 6.773 1.00 0.00 C ATOM 800 CD LYS A 49 -10.583 -5.822 7.359 1.00 0.00 C ATOM 801 CE LYS A 49 -11.664 -5.258 6.452 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.665 -3.770 6.446 1.00 0.00 N ATOM 0 H LYS A 49 -8.475 -9.112 6.732 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.072 -10.363 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.871 -8.042 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.746 -8.573 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.973 -7.234 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.827 -6.954 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.008 -6.047 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.808 -5.071 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.513 -5.625 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.638 -5.620 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.417 -3.426 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.834 -3.419 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.744 -3.424 6.108 1.00 0.00 H new ATOM 816 N VAL A 50 -9.765 -8.605 4.037 1.00 0.00 N ATOM 817 CA VAL A 50 -9.910 -8.263 2.628 1.00 0.00 C ATOM 818 C VAL A 50 -9.769 -9.492 1.739 1.00 0.00 C ATOM 819 O VAL A 50 -10.568 -9.699 0.828 1.00 0.00 O ATOM 820 CB VAL A 50 -8.877 -7.205 2.193 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.169 -6.721 0.781 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.858 -6.040 3.173 1.00 0.00 C ATOM 0 H VAL A 50 -8.869 -8.339 4.446 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.912 -7.850 2.510 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.889 -7.666 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.429 -5.975 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.123 -7.563 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.164 -6.278 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.123 -5.304 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.844 -5.577 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.594 -6.404 4.166 1.00 0.00 H new ATOM 832 N GLU A 51 -8.754 -10.312 2.008 1.00 0.00 N ATOM 833 CA GLU A 51 -8.531 -11.523 1.221 1.00 0.00 C ATOM 834 C GLU A 51 -9.826 -12.313 1.089 1.00 0.00 C ATOM 835 O GLU A 51 -10.205 -12.725 -0.009 1.00 0.00 O ATOM 836 CB GLU A 51 -7.442 -12.391 1.859 1.00 0.00 C ATOM 837 CG GLU A 51 -7.844 -12.992 3.196 1.00 0.00 C ATOM 838 CD GLU A 51 -6.709 -13.746 3.859 1.00 0.00 C ATOM 839 OE1 GLU A 51 -5.660 -13.123 4.131 1.00 0.00 O ATOM 840 OE2 GLU A 51 -6.867 -14.959 4.108 1.00 0.00 O ATOM 0 H GLU A 51 -8.079 -10.162 2.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.196 -11.229 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.183 -13.197 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.544 -11.789 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.185 -12.197 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.687 -13.667 3.048 1.00 0.00 H new ATOM 847 N GLY A 52 -10.519 -12.495 2.209 1.00 0.00 N ATOM 848 CA GLY A 52 -11.781 -13.205 2.183 1.00 0.00 C ATOM 849 C GLY A 52 -12.782 -12.491 1.301 1.00 0.00 C ATOM 850 O GLY A 52 -13.628 -13.119 0.664 1.00 0.00 O ATOM 0 H GLY A 52 -10.229 -12.164 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.625 -14.219 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.177 -13.289 3.195 1.00 0.00 H new ATOM 854 N ASP A 53 -12.663 -11.166 1.255 1.00 0.00 N ATOM 855 CA ASP A 53 -13.537 -10.343 0.434 1.00 0.00 C ATOM 856 C ASP A 53 -13.095 -10.396 -1.025 1.00 0.00 C ATOM 857 O ASP A 53 -13.908 -10.255 -1.939 1.00 0.00 O ATOM 858 CB ASP A 53 -13.525 -8.896 0.931 1.00 0.00 C ATOM 859 CG ASP A 53 -14.768 -8.132 0.521 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.878 -8.690 0.654 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.633 -6.977 0.066 1.00 0.00 O ATOM 0 H ASP A 53 -11.965 -10.641 1.781 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.552 -10.733 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.440 -8.889 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.644 -8.388 0.539 1.00 0.00 H new ATOM 866 N MET A 54 -11.797 -10.606 -1.231 1.00 0.00 N ATOM 867 CA MET A 54 -11.232 -10.684 -2.571 1.00 0.00 C ATOM 868 C MET A 54 -11.527 -12.038 -3.208 1.00 0.00 C ATOM 869 O MET A 54 -11.925 -12.116 -4.371 1.00 0.00 O ATOM 870 CB MET A 54 -9.721 -10.450 -2.523 1.00 0.00 C ATOM 871 CG MET A 54 -9.336 -8.993 -2.329 1.00 0.00 C ATOM 872 SD MET A 54 -9.920 -7.937 -3.668 1.00 0.00 S ATOM 873 CE MET A 54 -11.297 -7.113 -2.873 1.00 0.00 C ATOM 0 H MET A 54 -11.116 -10.725 -0.481 1.00 0.00 H new ATOM 0 HA MET A 54 -11.695 -9.907 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.296 -11.040 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.276 -10.814 -3.449 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.746 -8.636 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.251 -8.914 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.021 -6.804 -3.627 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.774 -7.797 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.936 -6.236 -2.337 1.00 0.00 H new ATOM 883 N TYR A 55 -11.328 -13.102 -2.438 1.00 0.00 N ATOM 884 CA TYR A 55 -11.570 -14.456 -2.923 1.00 0.00 C ATOM 885 C TYR A 55 -13.029 -14.629 -3.342 1.00 0.00 C ATOM 886 O TYR A 55 -13.313 -15.032 -4.465 1.00 0.00 O ATOM 887 CB TYR A 55 -11.199 -15.475 -1.837 1.00 0.00 C ATOM 888 CG TYR A 55 -11.521 -16.916 -2.187 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.834 -17.370 -2.194 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.510 -17.824 -2.496 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.132 -18.685 -2.502 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.803 -19.141 -2.802 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.115 -19.565 -2.804 1.00 0.00 C ATOM 894 OH TYR A 55 -12.409 -20.874 -3.108 1.00 0.00 O ATOM 0 H TYR A 55 -10.999 -13.053 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.944 -14.629 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.132 -15.395 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.722 -15.213 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.634 -16.685 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.482 -17.494 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.158 -19.021 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.008 -19.833 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.758 -20.927 -4.022 1.00 0.00 H new ATOM 904 N GLU A 56 -13.947 -14.317 -2.432 1.00 0.00 N ATOM 905 CA GLU A 56 -15.379 -14.444 -2.708 1.00 0.00 C ATOM 906 C GLU A 56 -15.778 -13.731 -4.000 1.00 0.00 C ATOM 907 O GLU A 56 -16.578 -14.250 -4.779 1.00 0.00 O ATOM 908 CB GLU A 56 -16.190 -13.891 -1.536 1.00 0.00 C ATOM 909 CG GLU A 56 -16.574 -14.948 -0.513 1.00 0.00 C ATOM 910 CD GLU A 56 -16.313 -14.503 0.913 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.176 -13.802 1.483 1.00 0.00 O ATOM 912 OE2 GLU A 56 -15.247 -14.856 1.459 1.00 0.00 O ATOM 0 H GLU A 56 -13.727 -13.974 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.595 -15.505 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.613 -13.110 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.096 -13.422 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.631 -15.191 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.014 -15.862 -0.713 1.00 0.00 H new ATOM 919 N SER A 57 -15.226 -12.541 -4.222 1.00 0.00 N ATOM 920 CA SER A 57 -15.537 -11.761 -5.422 1.00 0.00 C ATOM 921 C SER A 57 -15.469 -12.624 -6.681 1.00 0.00 C ATOM 922 O SER A 57 -16.163 -12.366 -7.665 1.00 0.00 O ATOM 923 CB SER A 57 -14.572 -10.581 -5.548 1.00 0.00 C ATOM 924 OG SER A 57 -14.811 -9.851 -6.740 1.00 0.00 O ATOM 0 H SER A 57 -14.562 -12.094 -3.589 1.00 0.00 H new ATOM 0 HA SER A 57 -16.556 -11.387 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.683 -9.923 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.545 -10.945 -5.541 1.00 0.00 H new ATOM 0 HG SER A 57 -14.182 -9.101 -6.796 1.00 0.00 H new ATOM 930 N ALA A 58 -14.626 -13.648 -6.639 1.00 0.00 N ATOM 931 CA ALA A 58 -14.452 -14.559 -7.765 1.00 0.00 C ATOM 932 C ALA A 58 -15.354 -15.766 -7.650 1.00 0.00 C ATOM 933 O ALA A 58 -15.427 -16.403 -6.606 1.00 0.00 O ATOM 934 CB ALA A 58 -13.002 -15.012 -7.848 1.00 0.00 C ATOM 0 H ALA A 58 -14.047 -13.870 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.723 -14.019 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.881 -15.692 -8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.357 -14.144 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.728 -15.525 -6.926 1.00 0.00 H new ATOM 940 N ASN A 59 -15.996 -16.109 -8.750 1.00 0.00 N ATOM 941 CA ASN A 59 -16.827 -17.293 -8.786 1.00 0.00 C ATOM 942 C ASN A 59 -15.984 -18.418 -9.360 1.00 0.00 C ATOM 943 O ASN A 59 -16.439 -19.549 -9.506 1.00 0.00 O ATOM 944 CB ASN A 59 -18.085 -17.088 -9.632 1.00 0.00 C ATOM 945 CG ASN A 59 -18.917 -15.913 -9.162 1.00 0.00 C ATOM 946 OD1 ASN A 59 -19.145 -15.833 -7.856 1.00 0.00 O flip ATOM 947 ND2 ASN A 59 -19.353 -15.085 -9.962 1.00 0.00 N flip ATOM 0 H ASN A 59 -15.958 -15.587 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.169 -17.528 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.798 -16.932 -10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.691 -17.993 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.154 -15.184 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -19.913 -14.300 -9.629 1.00 0.00 H new ATOM 954 N SER A 60 -14.735 -18.079 -9.687 1.00 0.00 N ATOM 955 CA SER A 60 -13.803 -19.047 -10.251 1.00 0.00 C ATOM 956 C SER A 60 -12.367 -18.707 -9.867 1.00 0.00 C ATOM 957 O SER A 60 -12.120 -17.741 -9.146 1.00 0.00 O ATOM 958 CB SER A 60 -13.940 -19.091 -11.774 1.00 0.00 C ATOM 959 OG SER A 60 -13.638 -20.380 -12.278 1.00 0.00 O ATOM 0 H SER A 60 -14.350 -17.142 -9.570 1.00 0.00 H new ATOM 0 HA SER A 60 -14.046 -20.028 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.955 -18.815 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.272 -18.356 -12.223 1.00 0.00 H new ATOM 0 HG SER A 60 -13.731 -21.042 -11.561 1.00 0.00 H new ATOM 965 N ARG A 61 -11.426 -19.508 -10.353 1.00 0.00 N ATOM 966 CA ARG A 61 -10.014 -19.291 -10.061 1.00 0.00 C ATOM 967 C ARG A 61 -9.472 -18.102 -10.846 1.00 0.00 C ATOM 968 O ARG A 61 -8.850 -17.202 -10.281 1.00 0.00 O ATOM 969 CB ARG A 61 -9.207 -20.546 -10.391 1.00 0.00 C ATOM 970 CG ARG A 61 -7.892 -20.641 -9.634 1.00 0.00 C ATOM 971 CD ARG A 61 -6.971 -19.478 -9.967 1.00 0.00 C ATOM 972 NE ARG A 61 -5.562 -19.835 -9.813 1.00 0.00 N ATOM 973 CZ ARG A 61 -4.884 -20.572 -10.690 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.481 -21.030 -11.783 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.606 -20.850 -10.473 1.00 0.00 N ATOM 0 H ARG A 61 -11.615 -20.313 -10.950 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.917 -19.074 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.810 -21.425 -10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.003 -20.565 -11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.089 -20.655 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.397 -21.580 -9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.153 -19.153 -10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.204 -18.633 -9.319 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.069 -19.500 -8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.464 -20.818 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.957 -21.594 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.143 -20.499 -9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.086 -21.415 -11.144 1.00 0.00 H new ATOM 989 N ASP A 62 -9.708 -18.108 -12.155 1.00 0.00 N ATOM 990 CA ASP A 62 -9.240 -17.032 -13.024 1.00 0.00 C ATOM 991 C ASP A 62 -9.754 -15.677 -12.545 1.00 0.00 C ATOM 992 O ASP A 62 -8.998 -14.711 -12.456 1.00 0.00 O ATOM 993 CB ASP A 62 -9.692 -17.281 -14.464 1.00 0.00 C ATOM 994 CG ASP A 62 -8.644 -16.865 -15.478 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.591 -15.665 -15.821 1.00 0.00 O ATOM 996 OD2 ASP A 62 -7.875 -17.741 -15.929 1.00 0.00 O ATOM 0 H ASP A 62 -10.221 -18.846 -12.638 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.151 -17.018 -12.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.919 -18.339 -14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.615 -16.732 -14.653 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.046 -15.614 -12.239 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.660 -14.377 -11.769 1.00 0.00 C ATOM 1003 C GLU A 63 -10.972 -13.873 -10.504 1.00 0.00 C ATOM 1004 O GLU A 63 -10.915 -12.668 -10.255 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.152 -14.594 -11.502 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.874 -13.341 -11.031 1.00 0.00 C ATOM 1007 CD GLU A 63 -15.381 -13.506 -11.021 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.851 -14.663 -11.013 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -16.091 -12.478 -11.019 1.00 0.00 O ATOM 0 H GLU A 63 -11.687 -16.404 -12.308 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.543 -13.623 -12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.627 -14.956 -12.414 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.268 -15.375 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.533 -13.085 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.608 -12.507 -11.680 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.449 -14.801 -9.710 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.763 -14.449 -8.471 1.00 0.00 C ATOM 1018 C TYR A 64 -8.389 -13.853 -8.762 1.00 0.00 C ATOM 1019 O TYR A 64 -7.944 -12.931 -8.079 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.618 -15.681 -7.575 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.937 -15.396 -6.254 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.214 -14.234 -5.546 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.021 -16.290 -5.716 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.595 -13.970 -4.338 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.399 -16.034 -4.509 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.689 -14.873 -3.825 1.00 0.00 C ATOM 1027 OH TYR A 64 -7.070 -14.615 -2.623 1.00 0.00 O ATOM 0 H TYR A 64 -10.487 -15.802 -9.902 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.362 -13.701 -7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.607 -16.097 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.051 -16.443 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.924 -13.525 -5.945 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.791 -17.200 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.820 -13.061 -3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.689 -16.740 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.462 -15.352 -2.403 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.724 -14.385 -9.782 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.401 -13.906 -10.166 1.00 0.00 C ATOM 1039 C TYR A 65 -6.495 -12.566 -10.891 1.00 0.00 C ATOM 1040 O TYR A 65 -5.567 -11.759 -10.845 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.704 -14.937 -11.057 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.368 -15.401 -10.519 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.274 -14.546 -10.489 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.202 -16.695 -10.041 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.052 -14.966 -9.999 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.984 -17.124 -9.549 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.912 -16.255 -9.531 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.697 -16.678 -9.040 1.00 0.00 O ATOM 0 H TYR A 65 -8.080 -15.148 -10.358 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.814 -13.764 -9.258 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.357 -15.801 -11.177 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.557 -14.508 -12.048 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.380 -13.535 -10.855 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.039 -17.377 -10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.211 -14.288 -9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.872 -18.133 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.768 -17.611 -8.750 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.619 -12.338 -11.561 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.833 -11.097 -12.298 1.00 0.00 C ATOM 1060 C HIS A 66 -8.095 -9.933 -11.348 1.00 0.00 C ATOM 1061 O HIS A 66 -7.387 -8.927 -11.373 1.00 0.00 O ATOM 1062 CB HIS A 66 -9.005 -11.251 -13.269 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.977 -10.271 -14.400 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -10.043 -9.456 -14.716 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -8.003 -9.976 -15.294 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -9.727 -8.703 -15.755 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.494 -8.999 -16.123 1.00 0.00 N ATOM 0 H HIS A 66 -8.397 -12.996 -11.609 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.926 -10.882 -12.863 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.999 -12.262 -13.675 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.939 -11.133 -12.720 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.023 -10.426 -15.345 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.368 -7.971 -16.223 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.988 -8.571 -16.898 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.119 -10.076 -10.511 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.476 -9.033 -9.554 1.00 0.00 C ATOM 1078 C LEU A 67 -8.304 -8.709 -8.633 1.00 0.00 C ATOM 1079 O LEU A 67 -8.097 -7.555 -8.259 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.688 -9.464 -8.725 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.552 -10.822 -8.033 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -9.891 -10.667 -6.671 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.913 -11.486 -7.895 1.00 0.00 C ATOM 0 H LEU A 67 -9.715 -10.903 -10.476 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.729 -8.134 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.878 -8.705 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.562 -9.491 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.918 -11.460 -8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.804 -11.644 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.898 -10.234 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.497 -10.012 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.799 -12.451 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.570 -10.850 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.348 -11.634 -8.884 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.540 -9.735 -8.272 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.388 -9.556 -7.395 1.00 0.00 C ATOM 1097 C LEU A 68 -5.377 -8.596 -8.013 1.00 0.00 C ATOM 1098 O LEU A 68 -4.740 -7.812 -7.309 1.00 0.00 O ATOM 1099 CB LEU A 68 -5.725 -10.907 -7.108 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.906 -11.427 -5.681 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.009 -12.944 -5.674 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.758 -10.964 -4.796 1.00 0.00 C ATOM 0 H LEU A 68 -7.697 -10.697 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.739 -9.126 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.126 -11.646 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.658 -10.822 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.834 -11.019 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.137 -13.295 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.865 -13.253 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.099 -13.372 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.903 -11.343 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.816 -11.342 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.731 -9.875 -4.775 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.236 -8.661 -9.333 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.304 -7.796 -10.046 1.00 0.00 C ATOM 1116 C ALA A 69 -4.697 -6.330 -9.899 1.00 0.00 C ATOM 1117 O ALA A 69 -3.861 -5.483 -9.584 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.240 -8.185 -11.515 1.00 0.00 C ATOM 0 H ALA A 69 -5.756 -9.304 -9.930 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.315 -7.926 -9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.540 -7.530 -12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.904 -9.218 -11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.229 -8.085 -11.961 1.00 0.00 H new ATOM 1124 N GLU A 70 -5.973 -6.038 -10.127 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.477 -4.673 -10.018 1.00 0.00 C ATOM 1126 C GLU A 70 -6.227 -4.115 -8.621 1.00 0.00 C ATOM 1127 O GLU A 70 -5.901 -2.938 -8.459 1.00 0.00 O ATOM 1128 CB GLU A 70 -7.973 -4.631 -10.337 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.275 -4.544 -11.824 1.00 0.00 C ATOM 1130 CD GLU A 70 -8.473 -5.907 -12.459 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -9.403 -6.627 -12.039 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -7.699 -6.253 -13.376 1.00 0.00 O ATOM 0 H GLU A 70 -6.677 -6.728 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.943 -4.055 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.448 -5.523 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.420 -3.774 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.172 -3.943 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.458 -4.028 -12.328 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.376 -4.969 -7.613 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.162 -4.564 -6.230 1.00 0.00 C ATOM 1141 C LYS A 71 -4.687 -4.270 -5.978 1.00 0.00 C ATOM 1142 O LYS A 71 -4.326 -3.179 -5.538 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.653 -5.655 -5.274 1.00 0.00 C ATOM 1144 CG LYS A 71 -7.691 -5.167 -4.276 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.974 -4.738 -4.971 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.091 -3.225 -5.044 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.006 -2.686 -4.001 1.00 0.00 N ATOM 0 H LYS A 71 -6.644 -5.946 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.733 -3.653 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.077 -6.473 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.800 -6.060 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.911 -5.960 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.286 -4.329 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.000 -5.155 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.832 -5.145 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.104 -2.779 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.455 -2.937 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.058 -1.651 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.955 -3.092 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.645 -2.939 -3.059 1.00 0.00 H new ATOM 1161 N ILE A 72 -3.837 -5.251 -6.267 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.400 -5.097 -6.078 1.00 0.00 C ATOM 1163 C ILE A 72 -1.851 -3.996 -6.979 1.00 0.00 C ATOM 1164 O ILE A 72 -0.901 -3.300 -6.621 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.651 -6.412 -6.374 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.268 -7.566 -5.582 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.172 -6.268 -6.042 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.319 -8.868 -6.353 1.00 0.00 C ATOM 0 H ILE A 72 -4.119 -6.160 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.240 -4.827 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.745 -6.633 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.694 -7.717 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.279 -7.291 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.342 -7.205 -6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.260 -5.470 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.058 -6.026 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.768 -9.642 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.918 -8.734 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.308 -9.167 -6.630 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.460 -3.846 -8.151 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.040 -2.831 -9.110 1.00 0.00 C ATOM 1182 C TYR A 73 -2.498 -1.444 -8.663 1.00 0.00 C ATOM 1183 O TYR A 73 -1.729 -0.483 -8.700 1.00 0.00 O ATOM 1184 CB TYR A 73 -2.603 -3.157 -10.497 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.490 -2.023 -11.494 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.250 -1.538 -11.888 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.628 -1.442 -12.040 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.147 -0.504 -12.798 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.533 -0.407 -12.950 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.290 0.058 -13.327 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.191 1.089 -14.233 1.00 0.00 O ATOM 0 H TYR A 73 -3.248 -4.416 -8.460 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.951 -2.830 -9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.081 -4.028 -10.893 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.652 -3.433 -10.395 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.353 -1.976 -11.477 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.602 -1.805 -11.748 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.175 -0.137 -13.094 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.427 0.036 -13.364 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.089 1.370 -14.508 1.00 0.00 H new ATOM 1201 N LYS A 74 -3.756 -1.349 -8.243 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.317 -0.082 -7.790 1.00 0.00 C ATOM 1203 C LYS A 74 -3.662 0.370 -6.488 1.00 0.00 C ATOM 1204 O LYS A 74 -3.270 1.529 -6.349 1.00 0.00 O ATOM 1205 CB LYS A 74 -5.828 -0.211 -7.595 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.529 1.118 -7.368 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.039 0.953 -7.330 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.745 2.115 -8.009 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.947 1.669 -8.767 1.00 0.00 N ATOM 0 H LYS A 74 -4.406 -2.135 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.118 0.668 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.259 -0.694 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.021 -0.864 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.186 1.556 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.258 1.814 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.316 0.020 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.372 0.879 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.041 2.848 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.053 2.614 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.400 2.491 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.662 0.988 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.619 1.216 -8.116 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.546 -0.551 -5.538 1.00 0.00 N ATOM 1224 CA ILE A 75 -2.938 -0.246 -4.248 1.00 0.00 C ATOM 1225 C ILE A 75 -1.451 0.058 -4.400 1.00 0.00 C ATOM 1226 O ILE A 75 -0.889 0.851 -3.645 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.116 -1.411 -3.253 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.587 -1.817 -3.166 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.587 -1.022 -1.880 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.792 -3.279 -2.837 1.00 0.00 C ATOM 0 H ILE A 75 -3.865 -1.515 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.448 0.635 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.543 -2.266 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.079 -1.210 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.074 -1.595 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.720 -1.855 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.527 -0.778 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.134 -0.154 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.859 -3.496 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.330 -3.894 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.335 -3.503 -1.873 1.00 0.00 H new ATOM 1242 N GLN A 76 -0.819 -0.577 -5.382 1.00 0.00 N ATOM 1243 CA GLN A 76 0.603 -0.372 -5.633 1.00 0.00 C ATOM 1244 C GLN A 76 0.894 1.092 -5.948 1.00 0.00 C ATOM 1245 O GLN A 76 1.800 1.693 -5.372 1.00 0.00 O ATOM 1246 CB GLN A 76 1.073 -1.261 -6.787 1.00 0.00 C ATOM 1247 CG GLN A 76 1.722 -2.557 -6.330 1.00 0.00 C ATOM 1248 CD GLN A 76 1.811 -3.586 -7.440 1.00 0.00 C ATOM 1249 OE1 GLN A 76 1.111 -3.492 -8.448 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.675 -4.579 -7.258 1.00 0.00 N ATOM 0 H GLN A 76 -1.269 -1.237 -6.016 1.00 0.00 H new ATOM 0 HA GLN A 76 1.149 -0.645 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.220 -1.496 -7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.784 -0.704 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.723 -2.345 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.151 -2.972 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.235 -4.618 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.778 -5.302 -7.970 1.00 0.00 H new ATOM 1259 N LYS A 77 0.121 1.658 -6.868 1.00 0.00 N ATOM 1260 CA LYS A 77 0.295 3.053 -7.261 1.00 0.00 C ATOM 1261 C LYS A 77 -0.301 3.993 -6.217 1.00 0.00 C ATOM 1262 O LYS A 77 0.135 5.135 -6.075 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.355 3.306 -8.622 1.00 0.00 C ATOM 1264 CG LYS A 77 0.096 2.336 -9.701 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.679 2.542 -10.993 1.00 0.00 C ATOM 1266 CE LYS A 77 0.108 3.383 -11.985 1.00 0.00 C ATOM 1267 NZ LYS A 77 -0.494 3.345 -13.347 1.00 0.00 N ATOM 0 H LYS A 77 -0.632 1.173 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 77 1.364 3.252 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.438 3.241 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.127 4.323 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.161 2.469 -9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.041 1.312 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.911 1.574 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.630 3.029 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.148 4.414 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.135 3.022 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.261 3.376 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.041 2.468 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.123 4.164 -13.472 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.304 3.506 -5.490 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.964 4.304 -4.460 1.00 0.00 C ATOM 1283 C GLU A 78 -0.957 4.840 -3.446 1.00 0.00 C ATOM 1284 O GLU A 78 -1.054 5.987 -3.010 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.027 3.469 -3.745 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.163 4.296 -3.168 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.608 3.804 -1.804 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.387 2.613 -1.502 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.178 4.610 -1.039 1.00 0.00 O ATOM 0 H GLU A 78 -1.677 2.563 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.441 5.153 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.438 2.742 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.554 2.905 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.847 5.336 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.010 4.271 -3.853 1.00 0.00 H new ATOM 1296 N LEU A 79 0.007 4.004 -3.073 1.00 0.00 N ATOM 1297 CA LEU A 79 1.028 4.399 -2.107 1.00 0.00 C ATOM 1298 C LEU A 79 1.792 5.627 -2.592 1.00 0.00 C ATOM 1299 O LEU A 79 2.262 6.434 -1.789 1.00 0.00 O ATOM 1300 CB LEU A 79 1.998 3.241 -1.855 1.00 0.00 C ATOM 1301 CG LEU A 79 2.967 2.941 -2.999 1.00 0.00 C ATOM 1302 CD1 LEU A 79 4.253 3.734 -2.832 1.00 0.00 C ATOM 1303 CD2 LEU A 79 3.264 1.450 -3.069 1.00 0.00 C ATOM 0 H LEU A 79 0.103 3.051 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 79 0.529 4.653 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.577 3.462 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.418 2.342 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 79 2.497 3.243 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.930 3.507 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.026 4.800 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.727 3.464 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.955 1.255 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.713 1.124 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.337 0.902 -3.238 1.00 0.00 H new ATOM 1315 N GLU A 80 1.913 5.762 -3.908 1.00 0.00 N ATOM 1316 CA GLU A 80 2.621 6.892 -4.499 1.00 0.00 C ATOM 1317 C GLU A 80 1.969 8.212 -4.097 1.00 0.00 C ATOM 1318 O GLU A 80 2.641 9.235 -3.971 1.00 0.00 O ATOM 1319 CB GLU A 80 2.647 6.765 -6.023 1.00 0.00 C ATOM 1320 CG GLU A 80 3.285 5.476 -6.515 1.00 0.00 C ATOM 1321 CD GLU A 80 4.162 5.689 -7.733 1.00 0.00 C ATOM 1322 OE1 GLU A 80 3.624 5.677 -8.861 1.00 0.00 O ATOM 1323 OE2 GLU A 80 5.386 5.865 -7.560 1.00 0.00 O ATOM 0 H GLU A 80 1.530 5.103 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 80 3.645 6.884 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.627 6.823 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.191 7.612 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.882 5.041 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.503 4.756 -6.756 1.00 0.00 H new ATOM 1330 N GLU A 81 0.655 8.180 -3.900 1.00 0.00 N ATOM 1331 CA GLU A 81 -0.089 9.374 -3.514 1.00 0.00 C ATOM 1332 C GLU A 81 0.033 9.630 -2.015 1.00 0.00 C ATOM 1333 O GLU A 81 0.008 10.776 -1.567 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.562 9.228 -3.900 1.00 0.00 C ATOM 1335 CG GLU A 81 -2.223 10.543 -4.283 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.621 10.353 -4.836 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -4.241 9.310 -4.538 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.098 11.247 -5.567 1.00 0.00 O ATOM 0 H GLU A 81 0.084 7.341 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 81 0.337 10.225 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.643 8.533 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.106 8.787 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.267 11.191 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.608 11.052 -5.026 1.00 0.00 H new ATOM 1345 N LYS A 82 0.163 8.555 -1.245 1.00 0.00 N ATOM 1346 CA LYS A 82 0.288 8.663 0.204 1.00 0.00 C ATOM 1347 C LYS A 82 1.539 9.450 0.585 1.00 0.00 C ATOM 1348 O LYS A 82 1.568 10.129 1.611 1.00 0.00 O ATOM 1349 CB LYS A 82 0.335 7.272 0.839 1.00 0.00 C ATOM 1350 CG LYS A 82 -0.907 6.438 0.569 1.00 0.00 C ATOM 1351 CD LYS A 82 -1.890 6.512 1.727 1.00 0.00 C ATOM 1352 CE LYS A 82 -3.002 7.512 1.452 1.00 0.00 C ATOM 1353 NZ LYS A 82 -4.190 6.864 0.831 1.00 0.00 N ATOM 0 H LYS A 82 0.185 7.599 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.585 9.197 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.209 6.740 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.465 7.378 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.390 6.788 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.620 5.400 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.321 5.526 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.361 6.796 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.297 7.993 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.630 8.296 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.677 7.548 0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.884 6.048 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.840 6.543 1.577 1.00 0.00 H new ATOM 1367 N ARG A 83 2.570 9.354 -0.249 1.00 0.00 N ATOM 1368 CA ARG A 83 3.822 10.057 0.002 1.00 0.00 C ATOM 1369 C ARG A 83 3.619 11.566 -0.044 1.00 0.00 C ATOM 1370 O ARG A 83 4.023 12.283 0.872 1.00 0.00 O ATOM 1371 CB ARG A 83 4.879 9.641 -1.023 1.00 0.00 C ATOM 1372 CG ARG A 83 6.255 10.228 -0.752 1.00 0.00 C ATOM 1373 CD ARG A 83 7.080 9.322 0.147 1.00 0.00 C ATOM 1374 NE ARG A 83 6.988 9.713 1.552 1.00 0.00 N ATOM 1375 CZ ARG A 83 7.661 10.730 2.084 1.00 0.00 C ATOM 1376 NH1 ARG A 83 8.476 11.462 1.333 1.00 0.00 N ATOM 1377 NH2 ARG A 83 7.519 11.018 3.370 1.00 0.00 N ATOM 0 H ARG A 83 2.563 8.797 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 83 4.167 9.786 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.953 8.554 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.551 9.949 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.779 10.381 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.148 11.207 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.740 8.293 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.123 9.350 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 83 6.372 9.175 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.589 11.246 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.989 12.240 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.894 10.460 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.035 11.798 3.778 1.00 0.00 H new ATOM 1391 N ARG A 84 2.992 12.045 -1.113 1.00 0.00 N ATOM 1392 CA ARG A 84 2.740 13.472 -1.266 1.00 0.00 C ATOM 1393 C ARG A 84 1.536 13.915 -0.445 1.00 0.00 C ATOM 1394 O ARG A 84 1.223 15.104 -0.384 1.00 0.00 O ATOM 1395 CB ARG A 84 2.538 13.829 -2.741 1.00 0.00 C ATOM 1396 CG ARG A 84 1.264 13.255 -3.339 1.00 0.00 C ATOM 1397 CD ARG A 84 0.105 14.234 -3.232 1.00 0.00 C ATOM 1398 NE ARG A 84 0.461 15.562 -3.729 1.00 0.00 N ATOM 1399 CZ ARG A 84 0.485 15.889 -5.020 1.00 0.00 C ATOM 1400 NH1 ARG A 84 0.178 14.989 -5.946 1.00 0.00 N ATOM 1401 NH2 ARG A 84 0.818 17.118 -5.385 1.00 0.00 N ATOM 0 H ARG A 84 2.651 11.469 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 84 3.615 14.004 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.521 14.914 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.392 13.468 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.434 13.004 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.006 12.328 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.745 13.852 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.211 14.309 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 84 0.705 16.280 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.078 14.041 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.198 15.246 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.056 17.813 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.837 17.369 -6.373 1.00 0.00 H new ATOM 1415 N SER A 85 0.877 12.963 0.207 1.00 0.00 N ATOM 1416 CA SER A 85 -0.269 13.282 1.042 1.00 0.00 C ATOM 1417 C SER A 85 0.159 14.177 2.203 1.00 0.00 C ATOM 1418 O SER A 85 -0.681 14.743 2.904 1.00 0.00 O ATOM 1419 CB SER A 85 -0.913 12.002 1.575 1.00 0.00 C ATOM 1420 OG SER A 85 -2.101 12.289 2.292 1.00 0.00 O ATOM 0 H SER A 85 1.116 11.972 0.172 1.00 0.00 H new ATOM 0 HA SER A 85 -1.002 13.815 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.138 11.332 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.210 11.480 2.224 1.00 0.00 H new ATOM 0 HG SER A 85 -2.082 13.220 2.597 1.00 0.00 H new ATOM 1426 N ARG A 86 1.474 14.303 2.403 1.00 0.00 N ATOM 1427 CA ARG A 86 2.005 15.131 3.483 1.00 0.00 C ATOM 1428 C ARG A 86 3.256 15.883 3.059 1.00 0.00 C ATOM 1429 O ARG A 86 3.698 16.819 3.728 1.00 0.00 O ATOM 1430 CB ARG A 86 2.310 14.272 4.706 1.00 0.00 C ATOM 1431 CG ARG A 86 2.502 15.072 5.983 1.00 0.00 C ATOM 1432 CD ARG A 86 3.175 14.243 7.064 1.00 0.00 C ATOM 1433 NE ARG A 86 2.744 14.635 8.404 1.00 0.00 N ATOM 1434 CZ ARG A 86 3.296 14.174 9.524 1.00 0.00 C ATOM 1435 NH1 ARG A 86 4.297 13.305 9.471 1.00 0.00 N ATOM 1436 NH2 ARG A 86 2.843 14.583 10.702 1.00 0.00 N ATOM 0 H ARG A 86 2.185 13.844 1.833 1.00 0.00 H new ATOM 0 HA ARG A 86 1.241 15.867 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.496 13.562 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.211 13.689 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.105 15.956 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.535 15.424 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.950 13.189 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.256 14.353 6.985 1.00 0.00 H new ATOM 0 HE ARG A 86 1.975 15.301 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.648 12.986 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.715 12.956 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.073 15.250 10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.265 14.231 11.561 1.00 0.00 H new ATOM 1450 N LEU A 87 3.810 15.464 1.949 1.00 0.00 N ATOM 1451 CA LEU A 87 5.015 16.076 1.401 1.00 0.00 C ATOM 1452 C LEU A 87 5.407 15.419 0.082 1.00 0.00 C ATOM 1453 O LEU A 87 5.935 14.288 0.119 1.00 0.00 O ATOM 1454 CB LEU A 87 6.169 15.967 2.400 1.00 0.00 C ATOM 1455 CG LEU A 87 7.225 17.069 2.293 1.00 0.00 C ATOM 1456 CD1 LEU A 87 7.825 17.368 3.658 1.00 0.00 C ATOM 1457 CD2 LEU A 87 8.313 16.669 1.307 1.00 0.00 C ATOM 1458 OXT LEU A 87 5.184 16.041 -0.978 1.00 0.00 O ATOM 0 H LEU A 87 3.446 14.690 1.393 1.00 0.00 H new ATOM 0 HA LEU A 87 4.804 17.129 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.758 15.976 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.658 15.002 2.263 1.00 0.00 H new ATOM 0 HG LEU A 87 6.742 17.974 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.574 18.154 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.038 17.697 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.293 16.467 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.056 17.464 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.792 15.751 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.871 16.505 0.324 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -16.183 -4.051 12.912 1.00 0.00 N ATOM 1472 CA GLY B 88 -15.404 -2.785 13.011 1.00 0.00 C ATOM 1473 C GLY B 88 -15.622 -1.876 11.817 1.00 0.00 C ATOM 1474 O GLY B 88 -14.673 -1.516 11.121 1.00 0.00 O ATOM 0 HA2 GLY B 88 -15.687 -2.258 13.922 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -14.343 -3.020 13.096 1.00 0.00 H new ATOM 1480 N SER B 89 -16.876 -1.504 11.580 1.00 0.00 N ATOM 1481 CA SER B 89 -17.216 -0.631 10.462 1.00 0.00 C ATOM 1482 C SER B 89 -17.405 0.807 10.933 1.00 0.00 C ATOM 1483 O SER B 89 -17.646 1.058 12.113 1.00 0.00 O ATOM 1484 CB SER B 89 -18.489 -1.125 9.771 1.00 0.00 C ATOM 1485 OG SER B 89 -18.229 -2.276 8.986 1.00 0.00 O ATOM 0 H SER B 89 -17.673 -1.793 12.147 1.00 0.00 H new ATOM 0 HA SER B 89 -16.391 -0.656 9.750 1.00 0.00 H new ATOM 0 HB2 SER B 89 -19.247 -1.355 10.520 1.00 0.00 H new ATOM 0 HB3 SER B 89 -18.894 -0.334 9.140 1.00 0.00 H new ATOM 0 HG SER B 89 -19.058 -2.573 8.556 1.00 0.00 H new ATOM 1491 N GLY B 90 -17.292 1.749 10.002 1.00 0.00 N ATOM 1492 CA GLY B 90 -17.453 3.150 10.340 1.00 0.00 C ATOM 1493 C GLY B 90 -16.405 4.029 9.686 1.00 0.00 C ATOM 1494 O GLY B 90 -16.522 4.375 8.510 1.00 0.00 O ATOM 0 H GLY B 90 -17.092 1.566 9.019 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -18.445 3.483 10.033 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -17.398 3.268 11.422 1.00 0.00 H new ATOM 1498 N THR B 91 -15.379 4.391 10.449 1.00 0.00 N ATOM 1499 CA THR B 91 -14.305 5.235 9.936 1.00 0.00 C ATOM 1500 C THR B 91 -13.366 4.435 9.039 1.00 0.00 C ATOM 1501 O THR B 91 -13.392 4.571 7.816 1.00 0.00 O ATOM 1502 CB THR B 91 -13.520 5.856 11.093 1.00 0.00 C ATOM 1503 OG1 THR B 91 -12.930 4.849 11.895 1.00 0.00 O ATOM 1504 CG2 THR B 91 -14.370 6.723 11.995 1.00 0.00 C ATOM 0 H THR B 91 -15.268 4.114 11.424 1.00 0.00 H new ATOM 0 HA THR B 91 -14.754 6.031 9.342 1.00 0.00 H new ATOM 0 HB THR B 91 -12.761 6.483 10.625 1.00 0.00 H new ATOM 0 HG1 THR B 91 -12.431 5.265 12.628 1.00 0.00 H new ATOM 0 HG21 THR B 91 -13.752 7.132 12.794 1.00 0.00 H new ATOM 0 HG22 THR B 91 -14.800 7.539 11.415 1.00 0.00 H new ATOM 0 HG23 THR B 91 -15.171 6.123 12.427 1.00 0.00 H new ATOM 1512 N ASP B 92 -12.536 3.600 9.656 1.00 0.00 N ATOM 1513 CA ASP B 92 -11.587 2.777 8.914 1.00 0.00 C ATOM 1514 C ASP B 92 -10.627 3.645 8.110 1.00 0.00 C ATOM 1515 O ASP B 92 -10.858 3.917 6.931 1.00 0.00 O ATOM 1516 CB ASP B 92 -12.332 1.820 7.981 1.00 0.00 C ATOM 1517 CG ASP B 92 -11.397 0.858 7.274 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -11.101 -0.211 7.848 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -10.961 1.174 6.147 1.00 0.00 O ATOM 0 H ASP B 92 -12.501 3.475 10.668 1.00 0.00 H new ATOM 0 HA ASP B 92 -11.008 2.197 9.632 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.065 1.254 8.556 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -12.885 2.397 7.239 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.547 4.078 8.753 1.00 0.00 N ATOM 1525 CA LYS B 93 -8.550 4.916 8.097 1.00 0.00 C ATOM 1526 C LYS B 93 -7.148 4.347 8.291 1.00 0.00 C ATOM 1527 O LYS B 93 -6.167 5.090 8.333 1.00 0.00 O ATOM 1528 CB LYS B 93 -8.614 6.343 8.643 1.00 0.00 C ATOM 1529 CG LYS B 93 -7.937 7.368 7.747 1.00 0.00 C ATOM 1530 CD LYS B 93 -7.652 8.660 8.496 1.00 0.00 C ATOM 1531 CE LYS B 93 -7.740 9.867 7.577 1.00 0.00 C ATOM 1532 NZ LYS B 93 -7.823 11.142 8.342 1.00 0.00 N ATOM 0 H LYS B 93 -9.340 3.862 9.728 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.771 4.933 7.030 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.658 6.625 8.779 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.146 6.368 9.627 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -7.004 6.956 7.361 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.573 7.577 6.887 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -8.363 8.772 9.314 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.658 8.612 8.941 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.867 9.891 6.925 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -8.615 9.771 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.882 11.941 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -8.670 11.130 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -6.976 11.246 8.936 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.061 3.026 8.409 1.00 0.00 N ATOM 1547 CA GLU B 94 -5.779 2.358 8.598 1.00 0.00 C ATOM 1548 C GLU B 94 -5.032 2.224 7.275 1.00 0.00 C ATOM 1549 O GLU B 94 -3.802 2.193 7.246 1.00 0.00 O ATOM 1550 CB GLU B 94 -5.986 0.977 9.223 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.142 1.010 10.734 1.00 0.00 C ATOM 1552 CD GLU B 94 -7.197 0.042 11.232 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -7.007 -1.181 11.064 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -8.213 0.506 11.792 1.00 0.00 O ATOM 0 H GLU B 94 -7.863 2.397 8.377 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.178 2.968 9.272 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -6.872 0.518 8.785 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.138 0.341 8.967 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.186 0.771 11.200 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -6.405 2.021 11.047 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.784 2.143 6.180 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.190 2.014 4.853 1.00 0.00 C ATOM 1563 C LEU B 95 -4.197 3.140 4.589 1.00 0.00 C ATOM 1564 O LEU B 95 -3.166 2.935 3.946 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.281 2.019 3.781 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.884 0.649 3.463 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -8.345 0.788 3.068 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.092 -0.036 2.359 1.00 0.00 C ATOM 0 H LEU B 95 -6.804 2.164 6.186 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.654 1.065 4.813 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.081 2.685 4.102 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.866 2.438 2.864 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.830 0.031 4.359 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.757 -0.196 2.845 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.903 1.238 3.889 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.424 1.423 2.185 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.534 -1.009 2.145 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.115 0.579 1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.059 -0.169 2.681 1.00 0.00 H new ATOM 1580 N SER B 96 -4.511 4.329 5.093 1.00 0.00 N ATOM 1581 CA SER B 96 -3.647 5.488 4.914 1.00 0.00 C ATOM 1582 C SER B 96 -2.461 5.434 5.873 1.00 0.00 C ATOM 1583 O SER B 96 -1.374 5.920 5.561 1.00 0.00 O ATOM 1584 CB SER B 96 -4.436 6.779 5.134 1.00 0.00 C ATOM 1585 OG SER B 96 -4.886 6.880 6.474 1.00 0.00 O ATOM 0 H SER B 96 -5.359 4.514 5.629 1.00 0.00 H new ATOM 0 HA SER B 96 -3.268 5.473 3.892 1.00 0.00 H new ATOM 0 HB2 SER B 96 -3.809 7.637 4.892 1.00 0.00 H new ATOM 0 HB3 SER B 96 -5.290 6.807 4.457 1.00 0.00 H new ATOM 0 HG SER B 96 -5.191 6.002 6.784 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.678 4.840 7.043 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.627 4.723 8.047 1.00 0.00 C ATOM 1593 C ASP B 97 -0.667 3.589 7.702 1.00 0.00 C ATOM 1594 O ASP B 97 0.521 3.649 8.022 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.239 4.486 9.429 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.636 5.779 10.115 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -1.877 6.764 10.010 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -3.706 5.804 10.758 1.00 0.00 O ATOM 0 H ASP B 97 -3.572 4.433 7.318 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.066 5.657 8.060 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.116 3.846 9.330 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.523 3.951 10.054 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.190 2.556 7.049 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.378 1.407 6.662 1.00 0.00 C ATOM 1605 C LEU B 98 0.425 1.708 5.400 1.00 0.00 C ATOM 1606 O LEU B 98 1.637 1.494 5.357 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.266 0.181 6.437 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.179 -0.181 7.610 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.495 -0.750 7.106 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.488 -1.171 8.535 1.00 0.00 C ATOM 0 H LEU B 98 -2.171 2.491 6.777 1.00 0.00 H new ATOM 0 HA LEU B 98 0.320 1.197 7.473 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.884 0.355 5.556 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.628 -0.675 6.215 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.392 0.727 8.174 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.131 -1.002 7.954 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.997 -0.010 6.483 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.302 -1.648 6.518 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.151 -1.418 9.364 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.246 -2.078 7.981 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.571 -0.727 8.923 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.258 2.204 4.373 1.00 0.00 N ATOM 1623 CA LEU B 99 0.392 2.532 3.111 1.00 0.00 C ATOM 1624 C LEU B 99 1.469 3.593 3.313 1.00 0.00 C ATOM 1625 O LEU B 99 2.554 3.509 2.736 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.641 3.024 2.093 1.00 0.00 C ATOM 1627 CG LEU B 99 -1.250 1.932 1.212 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -2.389 1.233 1.939 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.736 2.521 -0.103 1.00 0.00 C ATOM 0 H LEU B 99 -1.261 2.387 4.391 1.00 0.00 H new ATOM 0 HA LEU B 99 0.866 1.627 2.730 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.445 3.529 2.629 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.170 3.768 1.450 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.479 1.193 0.994 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.810 0.459 1.297 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -2.011 0.779 2.855 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.163 1.960 2.187 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -2.167 1.731 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -2.493 3.280 0.096 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.897 2.975 -0.630 1.00 0.00 H new ATOM 1641 N ASP B 100 1.163 4.590 4.136 1.00 0.00 N ATOM 1642 CA ASP B 100 2.105 5.669 4.416 1.00 0.00 C ATOM 1643 C ASP B 100 3.393 5.123 5.023 1.00 0.00 C ATOM 1644 O ASP B 100 4.471 5.681 4.820 1.00 0.00 O ATOM 1645 CB ASP B 100 1.475 6.692 5.361 1.00 0.00 C ATOM 1646 CG ASP B 100 2.379 7.884 5.609 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.204 7.819 6.545 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.263 8.882 4.867 1.00 0.00 O ATOM 0 H ASP B 100 0.270 4.674 4.621 1.00 0.00 H new ATOM 0 HA ASP B 100 2.349 6.159 3.473 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.530 7.037 4.941 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.244 6.211 6.311 1.00 0.00 H new ATOM 1653 N PHE B 101 3.273 4.030 5.768 1.00 0.00 N ATOM 1654 CA PHE B 101 4.428 3.408 6.405 1.00 0.00 C ATOM 1655 C PHE B 101 5.403 2.872 5.362 1.00 0.00 C ATOM 1656 O PHE B 101 6.619 2.985 5.517 1.00 0.00 O ATOM 1657 CB PHE B 101 3.976 2.274 7.328 1.00 0.00 C ATOM 1658 CG PHE B 101 5.024 1.849 8.318 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.762 2.791 9.017 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.270 0.505 8.551 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.725 2.402 9.928 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.231 0.109 9.461 1.00 0.00 C ATOM 1663 CZ PHE B 101 6.960 1.059 10.151 1.00 0.00 C ATOM 0 H PHE B 101 2.387 3.556 5.946 1.00 0.00 H new ATOM 0 HA PHE B 101 4.939 4.168 6.996 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.084 2.591 7.869 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.692 1.414 6.721 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.582 3.842 8.847 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.703 -0.242 8.015 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.293 3.147 10.465 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.412 -0.942 9.633 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.712 0.752 10.863 1.00 0.00 H new ATOM 1673 N SER B 102 4.860 2.289 4.297 1.00 0.00 N ATOM 1674 CA SER B 102 5.683 1.736 3.227 1.00 0.00 C ATOM 1675 C SER B 102 6.280 2.847 2.372 1.00 0.00 C ATOM 1676 O SER B 102 7.467 2.824 2.047 1.00 0.00 O ATOM 1677 CB SER B 102 4.853 0.793 2.354 1.00 0.00 C ATOM 1678 OG SER B 102 4.024 1.519 1.463 1.00 0.00 O ATOM 0 H SER B 102 3.855 2.188 4.152 1.00 0.00 H new ATOM 0 HA SER B 102 6.499 1.175 3.682 1.00 0.00 H new ATOM 0 HB2 SER B 102 5.516 0.139 1.787 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.239 0.153 2.987 1.00 0.00 H new ATOM 0 HG SER B 102 3.482 2.160 1.969 1.00 0.00 H new ATOM 1684 N ALA B 103 5.450 3.820 2.008 1.00 0.00 N ATOM 1685 CA ALA B 103 5.897 4.940 1.190 1.00 0.00 C ATOM 1686 C ALA B 103 7.021 5.708 1.877 1.00 0.00 C ATOM 1687 O ALA B 103 7.890 6.278 1.217 1.00 0.00 O ATOM 1688 CB ALA B 103 4.731 5.869 0.886 1.00 0.00 C ATOM 0 H ALA B 103 4.464 3.854 2.267 1.00 0.00 H new ATOM 0 HA ALA B 103 6.285 4.541 0.253 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.079 6.701 0.274 1.00 0.00 H new ATOM 0 HB2 ALA B 103 3.959 5.320 0.346 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.318 6.252 1.819 1.00 0.00 H new ATOM 1694 N MET B 104 6.998 5.720 3.206 1.00 0.00 N ATOM 1695 CA MET B 104 8.016 6.417 3.983 1.00 0.00 C ATOM 1696 C MET B 104 9.353 5.686 3.909 1.00 0.00 C ATOM 1697 O MET B 104 10.413 6.310 3.897 1.00 0.00 O ATOM 1698 CB MET B 104 7.573 6.549 5.441 1.00 0.00 C ATOM 1699 CG MET B 104 8.562 7.309 6.310 1.00 0.00 C ATOM 1700 SD MET B 104 7.894 7.704 7.938 1.00 0.00 S ATOM 1701 CE MET B 104 6.492 8.725 7.491 1.00 0.00 C ATOM 0 H MET B 104 6.285 5.255 3.767 1.00 0.00 H new ATOM 0 HA MET B 104 8.143 7.413 3.558 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.608 7.055 5.475 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.425 5.553 5.859 1.00 0.00 H new ATOM 0 HG2 MET B 104 9.468 6.715 6.428 1.00 0.00 H new ATOM 0 HG3 MET B 104 8.849 8.232 5.806 1.00 0.00 H new ATOM 0 HE1 MET B 104 6.282 9.428 8.297 1.00 0.00 H new ATOM 0 HE2 MET B 104 6.720 9.277 6.579 1.00 0.00 H new ATOM 0 HE3 MET B 104 5.620 8.093 7.324 1.00 0.00 H new ATOM 1711 N PHE B 105 9.293 4.359 3.859 1.00 0.00 N ATOM 1712 CA PHE B 105 10.499 3.542 3.787 1.00 0.00 C ATOM 1713 C PHE B 105 11.005 3.445 2.351 1.00 0.00 C ATOM 1714 O PHE B 105 10.262 3.694 1.402 1.00 0.00 O ATOM 1715 CB PHE B 105 10.226 2.142 4.340 1.00 0.00 C ATOM 1716 CG PHE B 105 11.392 1.550 5.079 1.00 0.00 C ATOM 1717 CD1 PHE B 105 11.689 1.957 6.370 1.00 0.00 C ATOM 1718 CD2 PHE B 105 12.190 0.587 4.482 1.00 0.00 C ATOM 1719 CE1 PHE B 105 12.762 1.415 7.052 1.00 0.00 C ATOM 1720 CE2 PHE B 105 13.264 0.041 5.160 1.00 0.00 C ATOM 1721 CZ PHE B 105 13.550 0.456 6.447 1.00 0.00 C ATOM 0 H PHE B 105 8.423 3.827 3.867 1.00 0.00 H new ATOM 0 HA PHE B 105 11.269 4.020 4.393 1.00 0.00 H new ATOM 0 HB2 PHE B 105 9.367 2.186 5.009 1.00 0.00 H new ATOM 0 HB3 PHE B 105 9.955 1.481 3.516 1.00 0.00 H new ATOM 0 HD1 PHE B 105 11.075 2.706 6.848 1.00 0.00 H new ATOM 0 HD2 PHE B 105 11.971 0.260 3.476 1.00 0.00 H new ATOM 0 HE1 PHE B 105 12.984 1.741 8.057 1.00 0.00 H new ATOM 0 HE2 PHE B 105 13.879 -0.709 4.685 1.00 0.00 H new ATOM 0 HZ PHE B 105 14.388 0.031 6.979 1.00 0.00 H new ATOM 1731 N SER B 106 12.274 3.082 2.200 1.00 0.00 N ATOM 1732 CA SER B 106 12.879 2.951 0.879 1.00 0.00 C ATOM 1733 C SER B 106 12.839 4.279 0.129 1.00 0.00 C ATOM 1734 O SER B 106 12.888 4.253 -1.119 1.00 0.00 O ATOM 1735 CB SER B 106 12.158 1.872 0.069 1.00 0.00 C ATOM 1736 OG SER B 106 11.619 0.873 0.916 1.00 0.00 O ATOM 1737 OXT SER B 106 12.759 5.332 0.796 1.00 0.00 O ATOM 0 H SER B 106 12.903 2.873 2.975 1.00 0.00 H new ATOM 0 HA SER B 106 13.921 2.660 1.011 1.00 0.00 H new ATOM 0 HB2 SER B 106 11.359 2.326 -0.517 1.00 0.00 H new ATOM 0 HB3 SER B 106 12.853 1.418 -0.637 1.00 0.00 H new ATOM 0 HG SER B 106 12.120 0.039 0.799 1.00 0.00 H new TER 1743 SER B 106