USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 91 HIS : no HD1:sc= -0.0276 X(o=0.87,f=0.7) USER MOD Set 1.2: A 95 THR OG1 : rot -96:sc= 0.893 USER MOD Set 2.1: A 46 SER OG : rot 70:sc= 0.236 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.338 K(o=-0.1,f=-0.61) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -1.95 K(o=-2,f=-3.3) USER MOD Set 3.2: A 13 MET CE :methyl -167:sc=-0.00457 (180deg=-0.447) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.363 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 53:sc= 0.971 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 12 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 84:sc= 0.99 USER MOD Single : A 23 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 36 SER OG : rot 118:sc= 0.393 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.8!) USER MOD Single : A 49 SER OG : rot -59:sc= 0.442 USER MOD Single : A 51 GLN : amide:sc=-0.00147 K(o=-0.0015,f=-0.94) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -81:sc= 0.652 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.0446 (180deg=-0.394) USER MOD Single : A 68 MET CE :methyl 178:sc= -0.69 (180deg=-0.69) USER MOD Single : A 69 CYS SG : rot 45:sc= 0.921 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -132:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot 44:sc= 0.31 USER MOD Single : A 84 SER OG : rot 14:sc= 1.26 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.848) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.18! K(o=-3.2!,f=-4.5) USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0294 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.119 USER MOD Single : B 4 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : B 7 THR OG1 : rot 79:sc= 0.0194 USER MOD Single : B 12 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.24) USER MOD Single : B 14 GLN : amide:sc=-0.00874 K(o=-0.0087,f=-1.2) USER MOD Single : B 15 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.023 -8.496 -25.986 1.00 0.00 N ATOM 2 CA GLY A 1 15.432 -9.842 -25.627 1.00 0.00 C ATOM 3 C GLY A 1 15.105 -10.182 -24.187 1.00 0.00 C ATOM 4 O GLY A 1 14.367 -11.130 -23.918 1.00 0.00 O ATOM 0 H1 GLY A 1 15.268 -8.312 -26.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.995 -8.400 -25.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.512 -7.810 -25.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.939 -10.556 -26.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.505 -9.947 -25.787 1.00 0.00 H new ATOM 8 N SER A 2 15.657 -9.408 -23.258 1.00 0.00 N ATOM 9 CA SER A 2 15.425 -9.636 -21.836 1.00 0.00 C ATOM 10 C SER A 2 14.028 -9.173 -21.433 1.00 0.00 C ATOM 11 O SER A 2 13.644 -8.031 -21.685 1.00 0.00 O ATOM 12 CB SER A 2 16.478 -8.904 -21.002 1.00 0.00 C ATOM 13 OG SER A 2 16.321 -7.499 -21.101 1.00 0.00 O ATOM 0 H SER A 2 16.268 -8.618 -23.464 1.00 0.00 H new ATOM 0 HA SER A 2 15.503 -10.707 -21.647 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.397 -9.209 -19.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.475 -9.186 -21.340 1.00 0.00 H new ATOM 0 HG SER A 2 15.427 -7.293 -21.447 1.00 0.00 H new ATOM 19 N SER A 3 13.273 -10.069 -20.806 1.00 0.00 N ATOM 20 CA SER A 3 11.917 -9.755 -20.370 1.00 0.00 C ATOM 21 C SER A 3 11.575 -10.498 -19.082 1.00 0.00 C ATOM 22 O SER A 3 11.551 -11.728 -19.049 1.00 0.00 O ATOM 23 CB SER A 3 10.911 -10.116 -21.464 1.00 0.00 C ATOM 24 OG SER A 3 9.592 -9.772 -21.078 1.00 0.00 O ATOM 0 H SER A 3 13.577 -11.018 -20.588 1.00 0.00 H new ATOM 0 HA SER A 3 11.862 -8.684 -20.176 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.170 -9.597 -22.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.965 -11.184 -21.674 1.00 0.00 H new ATOM 0 HG SER A 3 8.968 -10.011 -21.795 1.00 0.00 H new ATOM 30 N GLY A 4 11.308 -9.741 -18.022 1.00 0.00 N ATOM 31 CA GLY A 4 10.970 -10.344 -16.746 1.00 0.00 C ATOM 32 C GLY A 4 9.536 -10.072 -16.338 1.00 0.00 C ATOM 33 O GLY A 4 8.864 -9.229 -16.932 1.00 0.00 O ATOM 0 H GLY A 4 11.320 -8.721 -18.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.130 -11.421 -16.803 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.642 -9.962 -15.978 1.00 0.00 H new ATOM 37 N SER A 5 9.065 -10.788 -15.322 1.00 0.00 N ATOM 38 CA SER A 5 7.699 -10.623 -14.839 1.00 0.00 C ATOM 39 C SER A 5 7.433 -9.173 -14.445 1.00 0.00 C ATOM 40 O SER A 5 8.122 -8.614 -13.591 1.00 0.00 O ATOM 41 CB SER A 5 7.445 -11.543 -13.643 1.00 0.00 C ATOM 42 OG SER A 5 6.099 -11.454 -13.208 1.00 0.00 O ATOM 0 H SER A 5 9.609 -11.488 -14.817 1.00 0.00 H new ATOM 0 HA SER A 5 7.019 -10.892 -15.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.675 -12.573 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.113 -11.274 -12.825 1.00 0.00 H new ATOM 0 HG SER A 5 5.962 -12.052 -12.444 1.00 0.00 H new ATOM 48 N SER A 6 6.430 -8.570 -15.075 1.00 0.00 N ATOM 49 CA SER A 6 6.075 -7.184 -14.794 1.00 0.00 C ATOM 50 C SER A 6 4.876 -7.111 -13.854 1.00 0.00 C ATOM 51 O SER A 6 3.743 -6.905 -14.289 1.00 0.00 O ATOM 52 CB SER A 6 5.764 -6.442 -16.095 1.00 0.00 C ATOM 53 OG SER A 6 4.646 -7.014 -16.753 1.00 0.00 O ATOM 0 H SER A 6 5.849 -9.019 -15.783 1.00 0.00 H new ATOM 0 HA SER A 6 6.926 -6.708 -14.307 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.566 -5.392 -15.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.633 -6.474 -16.752 1.00 0.00 H new ATOM 0 HG SER A 6 3.894 -7.074 -16.128 1.00 0.00 H new ATOM 59 N GLY A 7 5.134 -7.280 -12.561 1.00 0.00 N ATOM 60 CA GLY A 7 4.068 -7.230 -11.578 1.00 0.00 C ATOM 61 C GLY A 7 4.251 -6.104 -10.580 1.00 0.00 C ATOM 62 O GLY A 7 5.281 -5.430 -10.578 1.00 0.00 O ATOM 0 H GLY A 7 6.063 -7.451 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.113 -7.107 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.025 -8.180 -11.045 1.00 0.00 H new ATOM 66 N TRP A 8 3.250 -5.898 -9.732 1.00 0.00 N ATOM 67 CA TRP A 8 3.306 -4.845 -8.724 1.00 0.00 C ATOM 68 C TRP A 8 3.847 -5.381 -7.404 1.00 0.00 C ATOM 69 O TRP A 8 3.939 -4.651 -6.418 1.00 0.00 O ATOM 70 CB TRP A 8 1.917 -4.240 -8.513 1.00 0.00 C ATOM 71 CG TRP A 8 0.802 -5.208 -8.771 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.024 -5.283 -9.891 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.339 -6.238 -7.890 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.894 -6.296 -9.759 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.720 -6.898 -8.541 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.719 -6.667 -6.615 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.404 -7.962 -7.959 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.040 -7.724 -6.039 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.011 -8.363 -6.710 1.00 0.00 C ATOM 0 H TRP A 8 2.390 -6.446 -9.722 1.00 0.00 H new ATOM 0 HA TRP A 8 3.983 -4.069 -9.082 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.840 -3.873 -7.490 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.800 -3.379 -9.170 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.117 -4.640 -10.754 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.592 -6.558 -10.455 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.528 -6.181 -6.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.216 -8.454 -8.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.325 -8.064 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.521 -9.187 -6.233 1.00 0.00 H new ATOM 90 N TYR A 9 4.205 -6.660 -7.393 1.00 0.00 N ATOM 91 CA TYR A 9 4.735 -7.295 -6.192 1.00 0.00 C ATOM 92 C TYR A 9 6.226 -7.012 -6.040 1.00 0.00 C ATOM 93 O TYR A 9 6.969 -6.986 -7.022 1.00 0.00 O ATOM 94 CB TYR A 9 4.494 -8.805 -6.239 1.00 0.00 C ATOM 95 CG TYR A 9 4.863 -9.517 -4.957 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.043 -9.442 -3.837 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.030 -10.264 -4.865 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.377 -10.090 -2.663 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.370 -10.916 -3.696 1.00 0.00 C ATOM 100 CZ TYR A 9 5.540 -10.827 -2.598 1.00 0.00 C ATOM 101 OH TYR A 9 5.877 -11.474 -1.431 1.00 0.00 O ATOM 0 H TYR A 9 4.138 -7.278 -8.202 1.00 0.00 H new ATOM 0 HA TYR A 9 4.214 -6.877 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.442 -8.990 -6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.070 -9.231 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.130 -8.868 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.683 -10.336 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.730 -10.019 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.281 -11.493 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 9 6.725 -11.949 -1.554 1.00 0.00 H new ATOM 111 N HIS A 10 6.658 -6.801 -4.801 1.00 0.00 N ATOM 112 CA HIS A 10 8.061 -6.521 -4.517 1.00 0.00 C ATOM 113 C HIS A 10 8.659 -7.596 -3.616 1.00 0.00 C ATOM 114 O HIS A 10 9.566 -8.324 -4.018 1.00 0.00 O ATOM 115 CB HIS A 10 8.207 -5.149 -3.859 1.00 0.00 C ATOM 116 CG HIS A 10 7.843 -4.010 -4.760 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.767 -3.103 -5.236 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.649 -3.634 -5.276 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.157 -2.218 -6.003 1.00 0.00 C ATOM 120 NE2 HIS A 10 6.871 -2.517 -6.044 1.00 0.00 N ATOM 0 H HIS A 10 6.057 -6.819 -3.977 1.00 0.00 H new ATOM 0 HA HIS A 10 8.603 -6.522 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.578 -5.113 -2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.237 -5.023 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.699 -4.122 -5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.629 -1.390 -6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.159 -2.002 -6.562 1.00 0.00 H new ATOM 129 N GLY A 11 8.145 -7.691 -2.394 1.00 0.00 N ATOM 130 CA GLY A 11 8.641 -8.679 -1.454 1.00 0.00 C ATOM 131 C GLY A 11 9.272 -8.049 -0.228 1.00 0.00 C ATOM 132 O GLY A 11 8.794 -7.032 0.272 1.00 0.00 O ATOM 0 H GLY A 11 7.393 -7.101 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.820 -9.325 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.375 -9.313 -1.952 1.00 0.00 H new ATOM 136 N HIS A 12 10.350 -8.657 0.259 1.00 0.00 N ATOM 137 CA HIS A 12 11.048 -8.149 1.435 1.00 0.00 C ATOM 138 C HIS A 12 11.201 -6.633 1.363 1.00 0.00 C ATOM 139 O HIS A 12 12.035 -6.120 0.617 1.00 0.00 O ATOM 140 CB HIS A 12 12.421 -8.808 1.563 1.00 0.00 C ATOM 141 CG HIS A 12 13.018 -8.686 2.931 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.512 -9.765 3.636 1.00 0.00 N ATOM 143 CD2 HIS A 12 13.202 -7.605 3.724 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.971 -9.352 4.804 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.796 -8.044 4.881 1.00 0.00 N ATOM 0 H HIS A 12 10.758 -9.501 -0.142 1.00 0.00 H new ATOM 0 HA HIS A 12 10.453 -8.394 2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.334 -9.864 1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.100 -8.359 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.932 -6.586 3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.414 -9.976 5.566 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.060 -7.456 5.672 1.00 0.00 H new ATOM 154 N MET A 13 10.392 -5.923 2.143 1.00 0.00 N ATOM 155 CA MET A 13 10.440 -4.466 2.167 1.00 0.00 C ATOM 156 C MET A 13 9.719 -3.919 3.394 1.00 0.00 C ATOM 157 O MET A 13 8.577 -4.287 3.670 1.00 0.00 O ATOM 158 CB MET A 13 9.812 -3.892 0.894 1.00 0.00 C ATOM 159 CG MET A 13 9.785 -2.372 0.862 1.00 0.00 C ATOM 160 SD MET A 13 8.605 -1.725 -0.337 1.00 0.00 S ATOM 161 CE MET A 13 9.408 -2.167 -1.876 1.00 0.00 C ATOM 0 H MET A 13 9.696 -6.333 2.766 1.00 0.00 H new ATOM 0 HA MET A 13 11.486 -4.163 2.216 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.367 -4.256 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.793 -4.267 0.800 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.533 -1.996 1.854 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.781 -2.000 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.928 -1.640 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.461 -1.888 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.324 -3.242 -2.034 1.00 0.00 H new ATOM 171 N SER A 14 10.392 -3.038 4.128 1.00 0.00 N ATOM 172 CA SER A 14 9.817 -2.443 5.328 1.00 0.00 C ATOM 173 C SER A 14 9.208 -1.079 5.020 1.00 0.00 C ATOM 174 O SER A 14 9.557 -0.440 4.028 1.00 0.00 O ATOM 175 CB SER A 14 10.884 -2.305 6.416 1.00 0.00 C ATOM 176 OG SER A 14 12.003 -1.577 5.942 1.00 0.00 O ATOM 0 H SER A 14 11.337 -2.721 3.912 1.00 0.00 H new ATOM 0 HA SER A 14 9.026 -3.101 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.460 -1.801 7.284 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.202 -3.294 6.745 1.00 0.00 H new ATOM 0 HG SER A 14 12.670 -1.501 6.656 1.00 0.00 H new ATOM 182 N GLY A 15 8.293 -0.638 5.880 1.00 0.00 N ATOM 183 CA GLY A 15 7.650 0.647 5.683 1.00 0.00 C ATOM 184 C GLY A 15 8.638 1.745 5.345 1.00 0.00 C ATOM 185 O GLY A 15 8.378 2.579 4.480 1.00 0.00 O ATOM 0 H GLY A 15 7.987 -1.148 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.916 0.563 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.105 0.919 6.587 1.00 0.00 H new ATOM 189 N GLY A 16 9.776 1.747 6.033 1.00 0.00 N ATOM 190 CA GLY A 16 10.790 2.757 5.789 1.00 0.00 C ATOM 191 C GLY A 16 11.266 2.763 4.350 1.00 0.00 C ATOM 192 O GLY A 16 11.467 3.825 3.761 1.00 0.00 O ATOM 0 H GLY A 16 10.014 1.067 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.389 3.739 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.640 2.582 6.449 1.00 0.00 H new ATOM 196 N GLN A 17 11.450 1.575 3.784 1.00 0.00 N ATOM 197 CA GLN A 17 11.909 1.449 2.406 1.00 0.00 C ATOM 198 C GLN A 17 10.816 1.867 1.427 1.00 0.00 C ATOM 199 O GLN A 17 11.086 2.535 0.429 1.00 0.00 O ATOM 200 CB GLN A 17 12.342 0.010 2.120 1.00 0.00 C ATOM 201 CG GLN A 17 12.775 -0.221 0.681 1.00 0.00 C ATOM 202 CD GLN A 17 14.210 0.196 0.428 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.501 1.379 0.241 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.117 -0.773 0.422 1.00 0.00 N ATOM 0 H GLN A 17 11.288 0.686 4.258 1.00 0.00 H new ATOM 0 HA GLN A 17 12.764 2.112 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.165 -0.252 2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.517 -0.662 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.659 -1.277 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.116 0.335 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.832 -1.739 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.099 -0.551 0.258 1.00 0.00 H new ATOM 213 N ALA A 18 9.583 1.469 1.721 1.00 0.00 N ATOM 214 CA ALA A 18 8.448 1.804 0.868 1.00 0.00 C ATOM 215 C ALA A 18 8.275 3.314 0.752 1.00 0.00 C ATOM 216 O ALA A 18 8.327 3.872 -0.343 1.00 0.00 O ATOM 217 CB ALA A 18 7.177 1.163 1.405 1.00 0.00 C ATOM 0 H ALA A 18 9.344 0.914 2.543 1.00 0.00 H new ATOM 0 HA ALA A 18 8.646 1.411 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.338 1.421 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.297 0.080 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.984 1.528 2.414 1.00 0.00 H new ATOM 223 N GLU A 19 8.071 3.970 1.890 1.00 0.00 N ATOM 224 CA GLU A 19 7.888 5.417 1.916 1.00 0.00 C ATOM 225 C GLU A 19 8.966 6.115 1.093 1.00 0.00 C ATOM 226 O GLU A 19 8.685 7.053 0.347 1.00 0.00 O ATOM 227 CB GLU A 19 7.917 5.932 3.357 1.00 0.00 C ATOM 228 CG GLU A 19 6.550 5.965 4.018 1.00 0.00 C ATOM 229 CD GLU A 19 6.514 6.861 5.240 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.410 8.094 5.071 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.590 6.328 6.368 1.00 0.00 O ATOM 0 H GLU A 19 8.028 3.523 2.806 1.00 0.00 H new ATOM 0 HA GLU A 19 6.916 5.643 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.581 5.300 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.340 6.936 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.810 6.311 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.265 4.953 4.306 1.00 0.00 H new ATOM 238 N THR A 20 10.205 5.652 1.235 1.00 0.00 N ATOM 239 CA THR A 20 11.326 6.231 0.507 1.00 0.00 C ATOM 240 C THR A 20 11.181 6.010 -0.994 1.00 0.00 C ATOM 241 O THR A 20 11.194 6.961 -1.777 1.00 0.00 O ATOM 242 CB THR A 20 12.668 5.637 0.976 1.00 0.00 C ATOM 243 OG1 THR A 20 12.844 5.868 2.377 1.00 0.00 O ATOM 244 CG2 THR A 20 13.829 6.247 0.205 1.00 0.00 C ATOM 0 H THR A 20 10.456 4.877 1.848 1.00 0.00 H new ATOM 0 HA THR A 20 11.319 7.301 0.715 1.00 0.00 H new ATOM 0 HB THR A 20 12.651 4.564 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.374 5.174 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.766 5.812 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.707 6.042 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.847 7.325 0.367 1.00 0.00 H new ATOM 252 N LEU A 21 11.044 4.749 -1.391 1.00 0.00 N ATOM 253 CA LEU A 21 10.895 4.403 -2.800 1.00 0.00 C ATOM 254 C LEU A 21 9.694 5.115 -3.412 1.00 0.00 C ATOM 255 O LEU A 21 9.842 5.950 -4.306 1.00 0.00 O ATOM 256 CB LEU A 21 10.742 2.889 -2.959 1.00 0.00 C ATOM 257 CG LEU A 21 12.009 2.060 -2.747 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.675 0.576 -2.710 1.00 0.00 C ATOM 259 CD2 LEU A 21 13.027 2.353 -3.839 1.00 0.00 C ATOM 0 H LEU A 21 11.033 3.950 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 21 11.792 4.729 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.985 2.545 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.362 2.686 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 21 12.446 2.337 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.589 0.001 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.982 0.379 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.214 0.283 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.922 1.754 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.600 2.104 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.289 3.411 -3.818 1.00 0.00 H new ATOM 271 N LEU A 22 8.504 4.781 -2.926 1.00 0.00 N ATOM 272 CA LEU A 22 7.275 5.390 -3.423 1.00 0.00 C ATOM 273 C LEU A 22 7.480 6.875 -3.707 1.00 0.00 C ATOM 274 O LEU A 22 7.304 7.329 -4.837 1.00 0.00 O ATOM 275 CB LEU A 22 6.145 5.205 -2.410 1.00 0.00 C ATOM 276 CG LEU A 22 5.324 3.922 -2.547 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.423 3.733 -1.337 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.501 3.949 -3.828 1.00 0.00 C ATOM 0 H LEU A 22 8.364 4.091 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 22 7.004 4.894 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.574 5.233 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.469 6.056 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 22 6.011 3.078 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.847 2.815 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.033 3.668 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.743 4.581 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.923 3.028 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.823 4.802 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.167 4.036 -4.687 1.00 0.00 H new ATOM 290 N GLN A 23 7.856 7.624 -2.676 1.00 0.00 N ATOM 291 CA GLN A 23 8.085 9.057 -2.816 1.00 0.00 C ATOM 292 C GLN A 23 9.139 9.337 -3.883 1.00 0.00 C ATOM 293 O GLN A 23 9.073 10.347 -4.582 1.00 0.00 O ATOM 294 CB GLN A 23 8.525 9.658 -1.479 1.00 0.00 C ATOM 295 CG GLN A 23 7.445 9.617 -0.409 1.00 0.00 C ATOM 296 CD GLN A 23 7.988 9.889 0.979 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.107 9.492 1.309 1.00 0.00 O ATOM 298 NE2 GLN A 23 7.199 10.570 1.802 1.00 0.00 N ATOM 0 H GLN A 23 8.009 7.262 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 23 7.148 9.521 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.402 9.120 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.829 10.693 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.677 10.353 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.964 8.639 -0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.280 10.880 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.512 10.783 2.749 1.00 0.00 H new ATOM 307 N ALA A 24 10.108 8.435 -4.001 1.00 0.00 N ATOM 308 CA ALA A 24 11.174 8.585 -4.985 1.00 0.00 C ATOM 309 C ALA A 24 10.607 8.720 -6.394 1.00 0.00 C ATOM 310 O ALA A 24 10.975 9.628 -7.139 1.00 0.00 O ATOM 311 CB ALA A 24 12.130 7.404 -4.910 1.00 0.00 C ATOM 0 H ALA A 24 10.177 7.594 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 24 11.722 9.498 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.921 7.529 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.569 7.354 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.586 6.482 -5.113 1.00 0.00 H new ATOM 317 N LYS A 25 9.708 7.810 -6.753 1.00 0.00 N ATOM 318 CA LYS A 25 9.087 7.827 -8.074 1.00 0.00 C ATOM 319 C LYS A 25 8.405 9.166 -8.338 1.00 0.00 C ATOM 320 O LYS A 25 8.554 9.748 -9.410 1.00 0.00 O ATOM 321 CB LYS A 25 8.071 6.691 -8.197 1.00 0.00 C ATOM 322 CG LYS A 25 7.448 6.577 -9.577 1.00 0.00 C ATOM 323 CD LYS A 25 8.261 5.666 -10.482 1.00 0.00 C ATOM 324 CE LYS A 25 7.576 5.458 -11.824 1.00 0.00 C ATOM 325 NZ LYS A 25 8.492 4.843 -12.825 1.00 0.00 N ATOM 0 H LYS A 25 9.393 7.051 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 25 9.871 7.686 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.561 5.749 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.280 6.841 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.433 6.191 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.374 7.567 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.250 6.097 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.407 4.703 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.702 4.820 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.217 6.416 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.988 4.718 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.313 5.464 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.815 3.918 -12.477 1.00 0.00 H new ATOM 339 N GLY A 26 7.657 9.648 -7.349 1.00 0.00 N ATOM 340 CA GLY A 26 6.964 10.914 -7.494 1.00 0.00 C ATOM 341 C GLY A 26 5.695 10.791 -8.313 1.00 0.00 C ATOM 342 O GLY A 26 5.322 11.715 -9.036 1.00 0.00 O ATOM 0 H GLY A 26 7.519 9.184 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.719 11.305 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.629 11.636 -7.967 1.00 0.00 H new ATOM 346 N GLU A 27 5.030 9.645 -8.202 1.00 0.00 N ATOM 347 CA GLU A 27 3.797 9.404 -8.942 1.00 0.00 C ATOM 348 C GLU A 27 2.624 9.188 -7.989 1.00 0.00 C ATOM 349 O GLU A 27 2.622 8.274 -7.164 1.00 0.00 O ATOM 350 CB GLU A 27 3.954 8.188 -9.857 1.00 0.00 C ATOM 351 CG GLU A 27 4.851 8.441 -11.056 1.00 0.00 C ATOM 352 CD GLU A 27 4.180 9.289 -12.120 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.438 10.223 -11.751 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.397 9.018 -13.319 1.00 0.00 O ATOM 0 H GLU A 27 5.324 8.870 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 27 3.592 10.284 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.360 7.358 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.970 7.879 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.763 8.937 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.147 7.486 -11.491 1.00 0.00 H new ATOM 361 N PRO A 28 1.603 10.050 -8.103 1.00 0.00 N ATOM 362 CA PRO A 28 0.406 9.976 -7.260 1.00 0.00 C ATOM 363 C PRO A 28 -0.456 8.761 -7.584 1.00 0.00 C ATOM 364 O PRO A 28 -0.511 8.316 -8.731 1.00 0.00 O ATOM 365 CB PRO A 28 -0.344 11.268 -7.593 1.00 0.00 C ATOM 366 CG PRO A 28 0.111 11.626 -8.966 1.00 0.00 C ATOM 367 CD PRO A 28 1.539 11.165 -9.063 1.00 0.00 C ATOM 0 HA PRO A 28 0.657 9.873 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.423 11.119 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.109 12.058 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.508 11.141 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.036 12.700 -9.134 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.789 10.840 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.237 11.961 -8.802 1.00 0.00 H new ATOM 375 N TRP A 29 -1.126 8.229 -6.568 1.00 0.00 N ATOM 376 CA TRP A 29 -1.987 7.065 -6.747 1.00 0.00 C ATOM 377 C TRP A 29 -1.166 5.831 -7.102 1.00 0.00 C ATOM 378 O TRP A 29 -1.590 5.001 -7.908 1.00 0.00 O ATOM 379 CB TRP A 29 -3.025 7.335 -7.837 1.00 0.00 C ATOM 380 CG TRP A 29 -3.762 8.626 -7.650 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.956 9.602 -8.585 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.402 9.082 -6.453 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.677 10.638 -8.042 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.963 10.342 -6.735 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.556 8.548 -5.171 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.666 11.075 -5.781 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.253 9.275 -4.226 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.801 10.527 -4.534 1.00 0.00 C ATOM 0 H TRP A 29 -1.090 8.584 -5.613 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.502 6.876 -5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.528 7.346 -8.807 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.743 6.515 -7.856 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.596 9.565 -9.602 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.954 11.489 -8.532 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.137 7.584 -4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.089 12.040 -6.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.378 8.871 -3.232 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.341 11.070 -3.773 1.00 0.00 H new ATOM 399 N THR A 30 0.012 5.714 -6.499 1.00 0.00 N ATOM 400 CA THR A 30 0.894 4.581 -6.753 1.00 0.00 C ATOM 401 C THR A 30 0.839 3.575 -5.610 1.00 0.00 C ATOM 402 O THR A 30 1.233 3.877 -4.483 1.00 0.00 O ATOM 403 CB THR A 30 2.352 5.037 -6.950 1.00 0.00 C ATOM 404 OG1 THR A 30 2.432 5.961 -8.041 1.00 0.00 O ATOM 405 CG2 THR A 30 3.259 3.846 -7.221 1.00 0.00 C ATOM 0 H THR A 30 0.379 6.391 -5.830 1.00 0.00 H new ATOM 0 HA THR A 30 0.543 4.106 -7.669 1.00 0.00 H new ATOM 0 HB THR A 30 2.684 5.526 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.037 6.817 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.284 4.192 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.218 3.158 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.927 3.333 -8.124 1.00 0.00 H new ATOM 413 N PHE A 31 0.347 2.376 -5.906 1.00 0.00 N ATOM 414 CA PHE A 31 0.240 1.323 -4.902 1.00 0.00 C ATOM 415 C PHE A 31 1.306 0.253 -5.122 1.00 0.00 C ATOM 416 O PHE A 31 1.790 0.062 -6.238 1.00 0.00 O ATOM 417 CB PHE A 31 -1.152 0.690 -4.944 1.00 0.00 C ATOM 418 CG PHE A 31 -1.277 -0.416 -5.952 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.597 -0.138 -7.270 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.076 -1.737 -5.580 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.713 -1.153 -8.201 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.190 -2.756 -6.505 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.510 -2.464 -7.818 1.00 0.00 C ATOM 0 H PHE A 31 0.016 2.109 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 31 0.398 1.771 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.395 0.299 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.887 1.462 -5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.758 0.886 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.828 -1.971 -4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.962 -0.921 -9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.029 -3.780 -6.203 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.601 -3.260 -8.543 1.00 0.00 H new ATOM 433 N LEU A 32 1.666 -0.442 -4.049 1.00 0.00 N ATOM 434 CA LEU A 32 2.673 -1.494 -4.121 1.00 0.00 C ATOM 435 C LEU A 32 2.504 -2.492 -2.980 1.00 0.00 C ATOM 436 O LEU A 32 2.324 -2.105 -1.825 1.00 0.00 O ATOM 437 CB LEU A 32 4.077 -0.887 -4.078 1.00 0.00 C ATOM 438 CG LEU A 32 4.694 -0.720 -2.690 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.455 -1.974 -2.289 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.609 0.495 -2.655 1.00 0.00 C ATOM 0 H LEU A 32 1.275 -0.296 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 32 2.540 -2.024 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.740 -1.513 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.043 0.091 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 32 3.888 -0.564 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.887 -1.836 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.773 -2.824 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.251 -2.162 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.039 0.598 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.409 0.369 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.035 1.390 -2.897 1.00 0.00 H new ATOM 452 N VAL A 33 2.565 -3.778 -3.311 1.00 0.00 N ATOM 453 CA VAL A 33 2.421 -4.832 -2.313 1.00 0.00 C ATOM 454 C VAL A 33 3.781 -5.342 -1.853 1.00 0.00 C ATOM 455 O VAL A 33 4.711 -5.470 -2.651 1.00 0.00 O ATOM 456 CB VAL A 33 1.600 -6.015 -2.860 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.328 -7.030 -1.761 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.299 -5.520 -3.474 1.00 0.00 C ATOM 0 H VAL A 33 2.713 -4.115 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 33 1.894 -4.395 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 33 2.180 -6.508 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.747 -7.858 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.274 -7.407 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.768 -6.554 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.269 -6.368 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.288 -5.002 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.520 -4.834 -4.292 1.00 0.00 H new ATOM 468 N ARG A 34 3.893 -5.631 -0.561 1.00 0.00 N ATOM 469 CA ARG A 34 5.141 -6.126 0.007 1.00 0.00 C ATOM 470 C ARG A 34 4.870 -7.040 1.200 1.00 0.00 C ATOM 471 O ARG A 34 3.767 -7.055 1.743 1.00 0.00 O ATOM 472 CB ARG A 34 6.030 -4.959 0.436 1.00 0.00 C ATOM 473 CG ARG A 34 5.395 -4.064 1.487 1.00 0.00 C ATOM 474 CD ARG A 34 6.344 -2.962 1.929 1.00 0.00 C ATOM 475 NE ARG A 34 6.098 -2.545 3.307 1.00 0.00 N ATOM 476 CZ ARG A 34 5.153 -1.678 3.655 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.372 -1.138 2.730 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.990 -1.350 4.930 1.00 0.00 N ATOM 0 H ARG A 34 3.134 -5.531 0.113 1.00 0.00 H new ATOM 0 HA ARG A 34 5.657 -6.702 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.969 -5.353 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.275 -4.359 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.483 -3.621 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.105 -4.664 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.372 -3.310 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.236 -2.104 1.266 1.00 0.00 H new ATOM 0 HE ARG A 34 6.684 -2.941 4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.496 -1.388 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.647 -0.473 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.590 -1.763 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.265 -0.684 5.197 1.00 0.00 H new ATOM 492 N GLU A 35 5.887 -7.798 1.600 1.00 0.00 N ATOM 493 CA GLU A 35 5.757 -8.715 2.727 1.00 0.00 C ATOM 494 C GLU A 35 5.821 -7.960 4.051 1.00 0.00 C ATOM 495 O GLU A 35 6.623 -7.040 4.216 1.00 0.00 O ATOM 496 CB GLU A 35 6.859 -9.776 2.679 1.00 0.00 C ATOM 497 CG GLU A 35 6.612 -10.863 1.646 1.00 0.00 C ATOM 498 CD GLU A 35 5.774 -12.004 2.189 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.924 -11.750 3.068 1.00 0.00 O ATOM 500 OE2 GLU A 35 5.967 -13.151 1.735 1.00 0.00 O ATOM 0 H GLU A 35 6.808 -7.795 1.161 1.00 0.00 H new ATOM 0 HA GLU A 35 4.786 -9.206 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.810 -9.290 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.952 -10.236 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.111 -10.429 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.569 -11.253 1.299 1.00 0.00 H new ATOM 507 N SER A 36 4.970 -8.354 4.993 1.00 0.00 N ATOM 508 CA SER A 36 4.926 -7.714 6.302 1.00 0.00 C ATOM 509 C SER A 36 6.208 -7.983 7.082 1.00 0.00 C ATOM 510 O SER A 36 6.937 -8.933 6.793 1.00 0.00 O ATOM 511 CB SER A 36 3.717 -8.212 7.096 1.00 0.00 C ATOM 512 OG SER A 36 3.663 -9.628 7.109 1.00 0.00 O ATOM 0 H SER A 36 4.301 -9.115 4.873 1.00 0.00 H new ATOM 0 HA SER A 36 4.834 -6.639 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.770 -7.838 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.802 -7.814 6.658 1.00 0.00 H new ATOM 0 HG SER A 36 3.734 -9.950 8.032 1.00 0.00 H new ATOM 518 N LEU A 37 6.479 -7.141 8.073 1.00 0.00 N ATOM 519 CA LEU A 37 7.674 -7.286 8.898 1.00 0.00 C ATOM 520 C LEU A 37 7.307 -7.693 10.322 1.00 0.00 C ATOM 521 O LEU A 37 8.139 -8.213 11.063 1.00 0.00 O ATOM 522 CB LEU A 37 8.467 -5.979 8.916 1.00 0.00 C ATOM 523 CG LEU A 37 9.497 -5.804 7.801 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.616 -6.824 7.942 1.00 0.00 C ATOM 525 CD2 LEU A 37 8.833 -5.922 6.437 1.00 0.00 C ATOM 0 H LEU A 37 5.887 -6.350 8.325 1.00 0.00 H new ATOM 0 HA LEU A 37 8.292 -8.072 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.762 -5.149 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.982 -5.903 9.874 1.00 0.00 H new ATOM 0 HG LEU A 37 9.930 -4.807 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.340 -6.684 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.111 -6.691 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.201 -7.830 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.582 -5.795 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.372 -6.905 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.069 -5.151 6.336 1.00 0.00 H new ATOM 537 N SER A 38 6.053 -7.453 10.696 1.00 0.00 N ATOM 538 CA SER A 38 5.576 -7.793 12.031 1.00 0.00 C ATOM 539 C SER A 38 4.514 -8.886 11.966 1.00 0.00 C ATOM 540 O SER A 38 4.619 -9.907 12.645 1.00 0.00 O ATOM 541 CB SER A 38 5.007 -6.552 12.722 1.00 0.00 C ATOM 542 OG SER A 38 6.019 -5.847 13.420 1.00 0.00 O ATOM 0 H SER A 38 5.350 -7.025 10.093 1.00 0.00 H new ATOM 0 HA SER A 38 6.421 -8.167 12.609 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.549 -5.897 11.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.220 -6.847 13.416 1.00 0.00 H new ATOM 0 HG SER A 38 5.630 -5.058 13.851 1.00 0.00 H new ATOM 548 N GLN A 39 3.493 -8.662 11.146 1.00 0.00 N ATOM 549 CA GLN A 39 2.410 -9.627 10.994 1.00 0.00 C ATOM 550 C GLN A 39 2.929 -10.940 10.418 1.00 0.00 C ATOM 551 O GLN A 39 3.786 -10.963 9.534 1.00 0.00 O ATOM 552 CB GLN A 39 1.314 -9.058 10.091 1.00 0.00 C ATOM 553 CG GLN A 39 0.471 -7.985 10.761 1.00 0.00 C ATOM 554 CD GLN A 39 -0.760 -7.623 9.954 1.00 0.00 C ATOM 555 OE1 GLN A 39 -0.669 -6.942 8.932 1.00 0.00 O ATOM 556 NE2 GLN A 39 -1.922 -8.077 10.410 1.00 0.00 N ATOM 0 H GLN A 39 3.393 -7.822 10.577 1.00 0.00 H new ATOM 0 HA GLN A 39 1.991 -9.824 11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.773 -8.641 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.663 -9.870 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.165 -8.332 11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.078 -7.092 10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.952 -8.638 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.785 -7.865 9.909 1.00 0.00 H new ATOM 565 N PRO A 40 2.399 -12.062 10.928 1.00 0.00 N ATOM 566 CA PRO A 40 2.794 -13.400 10.478 1.00 0.00 C ATOM 567 C PRO A 40 2.314 -13.701 9.063 1.00 0.00 C ATOM 568 O PRO A 40 1.139 -13.527 8.745 1.00 0.00 O ATOM 569 CB PRO A 40 2.110 -14.328 11.484 1.00 0.00 C ATOM 570 CG PRO A 40 0.942 -13.550 11.984 1.00 0.00 C ATOM 571 CD PRO A 40 1.373 -12.110 11.983 1.00 0.00 C ATOM 0 HA PRO A 40 3.877 -13.514 10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.793 -15.258 11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.784 -14.596 12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.072 -13.697 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.659 -13.872 12.986 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.540 -11.441 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.777 -11.811 12.950 1.00 0.00 H new ATOM 579 N GLY A 41 3.233 -14.154 8.214 1.00 0.00 N ATOM 580 CA GLY A 41 2.884 -14.471 6.843 1.00 0.00 C ATOM 581 C GLY A 41 1.836 -13.534 6.279 1.00 0.00 C ATOM 582 O GLY A 41 0.841 -13.975 5.703 1.00 0.00 O ATOM 0 H GLY A 41 4.213 -14.307 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.780 -14.424 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.515 -15.495 6.793 1.00 0.00 H new ATOM 586 N ASP A 42 2.056 -12.234 6.445 1.00 0.00 N ATOM 587 CA ASP A 42 1.123 -11.230 5.949 1.00 0.00 C ATOM 588 C ASP A 42 1.816 -10.271 4.986 1.00 0.00 C ATOM 589 O ASP A 42 3.003 -10.421 4.692 1.00 0.00 O ATOM 590 CB ASP A 42 0.512 -10.449 7.115 1.00 0.00 C ATOM 591 CG ASP A 42 -0.682 -11.158 7.723 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.810 -12.383 7.521 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.487 -10.487 8.402 1.00 0.00 O ATOM 0 H ASP A 42 2.873 -11.851 6.920 1.00 0.00 H new ATOM 0 HA ASP A 42 0.328 -11.745 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.270 -10.296 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.207 -9.462 6.767 1.00 0.00 H new ATOM 598 N PHE A 43 1.069 -9.287 4.499 1.00 0.00 N ATOM 599 CA PHE A 43 1.612 -8.304 3.567 1.00 0.00 C ATOM 600 C PHE A 43 1.087 -6.906 3.884 1.00 0.00 C ATOM 601 O PHE A 43 0.081 -6.751 4.577 1.00 0.00 O ATOM 602 CB PHE A 43 1.253 -8.682 2.129 1.00 0.00 C ATOM 603 CG PHE A 43 1.650 -10.082 1.760 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.787 -11.143 1.982 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.888 -10.339 1.192 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.150 -12.433 1.644 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.257 -11.627 0.851 1.00 0.00 C ATOM 608 CZ PHE A 43 2.386 -12.676 1.079 1.00 0.00 C ATOM 0 H PHE A 43 0.086 -9.148 4.733 1.00 0.00 H new ATOM 0 HA PHE A 43 2.697 -8.298 3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.178 -8.569 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.738 -7.984 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.181 -10.960 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.573 -9.523 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.467 -13.251 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.224 -11.813 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.672 -13.684 0.816 1.00 0.00 H new ATOM 618 N VAL A 44 1.775 -5.892 3.371 1.00 0.00 N ATOM 619 CA VAL A 44 1.379 -4.507 3.598 1.00 0.00 C ATOM 620 C VAL A 44 1.104 -3.791 2.280 1.00 0.00 C ATOM 621 O VAL A 44 1.930 -3.811 1.366 1.00 0.00 O ATOM 622 CB VAL A 44 2.461 -3.734 4.374 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.056 -2.278 4.550 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.724 -4.390 5.721 1.00 0.00 C ATOM 0 H VAL A 44 2.610 -6.003 2.795 1.00 0.00 H new ATOM 0 HA VAL A 44 0.465 -4.532 4.192 1.00 0.00 H new ATOM 0 HB VAL A 44 3.385 -3.761 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.833 -1.748 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.925 -1.816 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.119 -2.225 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.492 -3.830 6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.805 -4.397 6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.064 -5.414 5.567 1.00 0.00 H new ATOM 634 N LEU A 45 -0.060 -3.159 2.189 1.00 0.00 N ATOM 635 CA LEU A 45 -0.445 -2.436 0.982 1.00 0.00 C ATOM 636 C LEU A 45 -0.053 -0.964 1.081 1.00 0.00 C ATOM 637 O LEU A 45 -0.704 -0.183 1.775 1.00 0.00 O ATOM 638 CB LEU A 45 -1.952 -2.558 0.749 1.00 0.00 C ATOM 639 CG LEU A 45 -2.414 -2.472 -0.706 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.125 -1.093 -1.278 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.742 -3.550 -1.544 1.00 0.00 C ATOM 0 H LEU A 45 -0.754 -3.132 2.936 1.00 0.00 H new ATOM 0 HA LEU A 45 0.084 -2.879 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.287 -3.510 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.452 -1.772 1.315 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.491 -2.636 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.461 -1.051 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.653 -0.339 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.053 -0.899 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.083 -3.473 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.661 -3.418 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.001 -4.532 -1.148 1.00 0.00 H new ATOM 653 N SER A 46 1.014 -0.593 0.382 1.00 0.00 N ATOM 654 CA SER A 46 1.494 0.784 0.392 1.00 0.00 C ATOM 655 C SER A 46 0.953 1.557 -0.806 1.00 0.00 C ATOM 656 O SER A 46 0.932 1.051 -1.928 1.00 0.00 O ATOM 657 CB SER A 46 3.024 0.813 0.383 1.00 0.00 C ATOM 658 OG SER A 46 3.516 1.959 1.056 1.00 0.00 O ATOM 0 H SER A 46 1.563 -1.227 -0.199 1.00 0.00 H new ATOM 0 HA SER A 46 1.133 1.261 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.411 -0.087 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.385 0.808 -0.645 1.00 0.00 H new ATOM 0 HG SER A 46 3.342 1.874 2.017 1.00 0.00 H new ATOM 664 N VAL A 47 0.515 2.787 -0.560 1.00 0.00 N ATOM 665 CA VAL A 47 -0.026 3.632 -1.618 1.00 0.00 C ATOM 666 C VAL A 47 0.407 5.084 -1.438 1.00 0.00 C ATOM 667 O VAL A 47 0.386 5.616 -0.328 1.00 0.00 O ATOM 668 CB VAL A 47 -1.565 3.569 -1.656 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.091 4.119 -2.973 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.044 2.142 -1.434 1.00 0.00 C ATOM 0 H VAL A 47 0.524 3.221 0.363 1.00 0.00 H new ATOM 0 HA VAL A 47 0.370 3.251 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.957 4.190 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.180 4.066 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.777 5.157 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.693 3.529 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.133 2.115 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.644 1.498 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.699 1.789 -0.462 1.00 0.00 H new ATOM 680 N LEU A 48 0.801 5.717 -2.538 1.00 0.00 N ATOM 681 CA LEU A 48 1.241 7.107 -2.503 1.00 0.00 C ATOM 682 C LEU A 48 0.085 8.052 -2.826 1.00 0.00 C ATOM 683 O LEU A 48 -0.547 7.938 -3.875 1.00 0.00 O ATOM 684 CB LEU A 48 2.385 7.326 -3.494 1.00 0.00 C ATOM 685 CG LEU A 48 3.107 8.670 -3.397 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.728 8.845 -2.021 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.169 8.784 -4.481 1.00 0.00 C ATOM 0 H LEU A 48 0.825 5.290 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 48 1.595 7.325 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.118 6.531 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.989 7.220 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 48 2.376 9.464 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.237 9.807 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.947 8.808 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.446 8.045 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.673 9.747 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.897 7.982 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.698 8.705 -5.461 1.00 0.00 H new ATOM 699 N SER A 49 -0.182 8.984 -1.916 1.00 0.00 N ATOM 700 CA SER A 49 -1.262 9.946 -2.103 1.00 0.00 C ATOM 701 C SER A 49 -0.770 11.170 -2.870 1.00 0.00 C ATOM 702 O SER A 49 0.390 11.566 -2.752 1.00 0.00 O ATOM 703 CB SER A 49 -1.833 10.373 -0.750 1.00 0.00 C ATOM 704 OG SER A 49 -0.800 10.765 0.138 1.00 0.00 O ATOM 0 H SER A 49 0.334 9.093 -1.043 1.00 0.00 H new ATOM 0 HA SER A 49 -2.048 9.465 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.530 11.199 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.399 9.550 -0.314 1.00 0.00 H new ATOM 0 HG SER A 49 -0.184 10.015 0.274 1.00 0.00 H new ATOM 710 N ASP A 50 -1.662 11.765 -3.655 1.00 0.00 N ATOM 711 CA ASP A 50 -1.321 12.945 -4.441 1.00 0.00 C ATOM 712 C ASP A 50 -1.204 14.178 -3.549 1.00 0.00 C ATOM 713 O ASP A 50 -0.979 15.286 -4.033 1.00 0.00 O ATOM 714 CB ASP A 50 -2.373 13.183 -5.525 1.00 0.00 C ATOM 715 CG ASP A 50 -3.528 14.035 -5.035 1.00 0.00 C ATOM 716 OD1 ASP A 50 -3.961 13.838 -3.880 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.995 14.899 -5.805 1.00 0.00 O ATOM 0 H ASP A 50 -2.626 11.450 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.355 12.769 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.905 13.669 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.755 12.223 -5.873 1.00 0.00 H new ATOM 722 N GLN A 51 -1.360 13.974 -2.245 1.00 0.00 N ATOM 723 CA GLN A 51 -1.275 15.069 -1.286 1.00 0.00 C ATOM 724 C GLN A 51 0.063 15.047 -0.553 1.00 0.00 C ATOM 725 O GLN A 51 0.450 14.047 0.053 1.00 0.00 O ATOM 726 CB GLN A 51 -2.423 14.985 -0.279 1.00 0.00 C ATOM 727 CG GLN A 51 -3.756 15.460 -0.836 1.00 0.00 C ATOM 728 CD GLN A 51 -4.750 15.812 0.253 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.549 15.487 1.423 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.833 16.480 -0.128 1.00 0.00 N ATOM 0 H GLN A 51 -1.546 13.062 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.353 16.007 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.526 13.953 0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.171 15.582 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.591 16.332 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.179 14.681 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.960 16.729 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.538 16.744 0.560 1.00 0.00 H new ATOM 739 N PRO A 52 0.788 16.175 -0.607 1.00 0.00 N ATOM 740 CA PRO A 52 2.092 16.310 0.047 1.00 0.00 C ATOM 741 C PRO A 52 1.978 16.339 1.567 1.00 0.00 C ATOM 742 O PRO A 52 0.957 16.752 2.116 1.00 0.00 O ATOM 743 CB PRO A 52 2.615 17.650 -0.477 1.00 0.00 C ATOM 744 CG PRO A 52 1.391 18.420 -0.835 1.00 0.00 C ATOM 745 CD PRO A 52 0.388 17.405 -1.310 1.00 0.00 C ATOM 0 HA PRO A 52 2.747 15.467 -0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.202 18.169 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.263 17.511 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.011 18.971 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.604 19.152 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.631 17.699 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.425 17.279 -2.392 1.00 0.00 H new ATOM 753 N LYS A 53 3.035 15.901 2.244 1.00 0.00 N ATOM 754 CA LYS A 53 3.055 15.878 3.702 1.00 0.00 C ATOM 755 C LYS A 53 3.246 17.283 4.264 1.00 0.00 C ATOM 756 O LYS A 53 2.642 17.644 5.275 1.00 0.00 O ATOM 757 CB LYS A 53 4.173 14.961 4.203 1.00 0.00 C ATOM 758 CG LYS A 53 5.554 15.364 3.718 1.00 0.00 C ATOM 759 CD LYS A 53 6.561 14.240 3.902 1.00 0.00 C ATOM 760 CE LYS A 53 6.743 13.892 5.372 1.00 0.00 C ATOM 761 NZ LYS A 53 7.460 12.599 5.550 1.00 0.00 N ATOM 0 H LYS A 53 3.889 15.557 1.806 1.00 0.00 H new ATOM 0 HA LYS A 53 2.096 15.493 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.167 14.957 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.967 13.941 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.504 15.640 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.889 16.246 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.227 13.357 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.520 14.535 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.300 14.687 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.768 13.836 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.564 12.397 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.916 11.836 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.401 12.660 5.111 1.00 0.00 H new ATOM 775 N ALA A 54 4.087 18.072 3.603 1.00 0.00 N ATOM 776 CA ALA A 54 4.354 19.438 4.036 1.00 0.00 C ATOM 777 C ALA A 54 4.298 20.407 2.860 1.00 0.00 C ATOM 778 O ALA A 54 5.328 20.772 2.295 1.00 0.00 O ATOM 779 CB ALA A 54 5.708 19.518 4.725 1.00 0.00 C ATOM 0 H ALA A 54 4.595 17.788 2.765 1.00 0.00 H new ATOM 0 HA ALA A 54 3.580 19.726 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.894 20.544 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.713 18.862 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.488 19.206 4.031 1.00 0.00 H new ATOM 785 N GLY A 55 3.087 20.820 2.496 1.00 0.00 N ATOM 786 CA GLY A 55 2.920 21.743 1.389 1.00 0.00 C ATOM 787 C GLY A 55 3.760 21.362 0.185 1.00 0.00 C ATOM 788 O GLY A 55 4.218 20.226 0.056 1.00 0.00 O ATOM 0 H GLY A 55 2.219 20.532 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.869 21.773 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.190 22.748 1.714 1.00 0.00 H new ATOM 792 N PRO A 56 3.969 22.325 -0.724 1.00 0.00 N ATOM 793 CA PRO A 56 4.759 22.108 -1.940 1.00 0.00 C ATOM 794 C PRO A 56 6.244 21.929 -1.643 1.00 0.00 C ATOM 795 O PRO A 56 6.806 22.627 -0.800 1.00 0.00 O ATOM 796 CB PRO A 56 4.526 23.388 -2.747 1.00 0.00 C ATOM 797 CG PRO A 56 4.189 24.422 -1.729 1.00 0.00 C ATOM 798 CD PRO A 56 3.453 23.701 -0.635 1.00 0.00 C ATOM 0 HA PRO A 56 4.462 21.198 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.415 23.666 -3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.716 23.261 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.090 24.899 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.572 25.209 -2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.652 24.142 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.374 23.736 -0.786 1.00 0.00 H new ATOM 806 N GLY A 57 6.873 20.988 -2.341 1.00 0.00 N ATOM 807 CA GLY A 57 8.287 20.735 -2.137 1.00 0.00 C ATOM 808 C GLY A 57 8.542 19.457 -1.363 1.00 0.00 C ATOM 809 O GLY A 57 9.606 18.851 -1.486 1.00 0.00 O ATOM 0 H GLY A 57 6.429 20.397 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.785 20.676 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.730 21.575 -1.601 1.00 0.00 H new ATOM 813 N SER A 58 7.564 19.048 -0.561 1.00 0.00 N ATOM 814 CA SER A 58 7.689 17.837 0.240 1.00 0.00 C ATOM 815 C SER A 58 7.199 16.618 -0.536 1.00 0.00 C ATOM 816 O SER A 58 6.391 16.722 -1.460 1.00 0.00 O ATOM 817 CB SER A 58 6.899 17.977 1.542 1.00 0.00 C ATOM 818 OG SER A 58 5.622 18.546 1.306 1.00 0.00 O ATOM 0 H SER A 58 6.676 19.538 -0.449 1.00 0.00 H new ATOM 0 HA SER A 58 8.744 17.696 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.784 16.998 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.454 18.600 2.243 1.00 0.00 H new ATOM 0 HG SER A 58 5.707 19.519 1.227 1.00 0.00 H new ATOM 824 N PRO A 59 7.699 15.433 -0.154 1.00 0.00 N ATOM 825 CA PRO A 59 7.326 14.172 -0.800 1.00 0.00 C ATOM 826 C PRO A 59 5.886 13.770 -0.501 1.00 0.00 C ATOM 827 O PRO A 59 5.413 13.911 0.628 1.00 0.00 O ATOM 828 CB PRO A 59 8.301 13.160 -0.191 1.00 0.00 C ATOM 829 CG PRO A 59 8.677 13.743 1.127 1.00 0.00 C ATOM 830 CD PRO A 59 8.666 15.235 0.939 1.00 0.00 C ATOM 0 HA PRO A 59 7.382 14.239 -1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.834 12.182 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.176 13.021 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.972 13.442 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.662 13.397 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.357 15.752 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.653 15.614 0.676 1.00 0.00 H new ATOM 838 N LEU A 60 5.193 13.268 -1.517 1.00 0.00 N ATOM 839 CA LEU A 60 3.806 12.845 -1.363 1.00 0.00 C ATOM 840 C LEU A 60 3.658 11.884 -0.190 1.00 0.00 C ATOM 841 O LEU A 60 4.486 10.994 0.006 1.00 0.00 O ATOM 842 CB LEU A 60 3.309 12.181 -2.649 1.00 0.00 C ATOM 843 CG LEU A 60 2.687 13.114 -3.688 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.394 14.461 -3.689 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.743 12.482 -5.072 1.00 0.00 C ATOM 0 H LEU A 60 5.569 13.144 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 60 3.202 13.730 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.147 11.660 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.572 11.424 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 60 1.642 13.275 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.937 15.111 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.304 14.920 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.448 14.319 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.296 13.159 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.781 12.292 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.192 11.542 -5.065 1.00 0.00 H new ATOM 857 N ARG A 61 2.596 12.066 0.588 1.00 0.00 N ATOM 858 CA ARG A 61 2.337 11.214 1.742 1.00 0.00 C ATOM 859 C ARG A 61 2.010 9.789 1.303 1.00 0.00 C ATOM 860 O ARG A 61 1.417 9.575 0.246 1.00 0.00 O ATOM 861 CB ARG A 61 1.185 11.779 2.574 1.00 0.00 C ATOM 862 CG ARG A 61 0.734 10.858 3.696 1.00 0.00 C ATOM 863 CD ARG A 61 -0.011 11.624 4.779 1.00 0.00 C ATOM 864 NE ARG A 61 -0.547 10.734 5.806 1.00 0.00 N ATOM 865 CZ ARG A 61 0.181 10.235 6.799 1.00 0.00 C ATOM 866 NH1 ARG A 61 1.468 10.535 6.897 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.379 9.433 7.695 1.00 0.00 N ATOM 0 H ARG A 61 1.900 12.797 0.440 1.00 0.00 H new ATOM 0 HA ARG A 61 3.239 11.191 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.491 12.734 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.338 11.979 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.089 10.078 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.601 10.361 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.662 12.347 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.826 12.190 4.328 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.534 10.482 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.902 11.150 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.025 10.151 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.369 9.199 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.181 9.050 8.457 1.00 0.00 H new ATOM 881 N VAL A 62 2.400 8.818 2.123 1.00 0.00 N ATOM 882 CA VAL A 62 2.148 7.414 1.820 1.00 0.00 C ATOM 883 C VAL A 62 1.173 6.803 2.819 1.00 0.00 C ATOM 884 O VAL A 62 1.002 7.311 3.928 1.00 0.00 O ATOM 885 CB VAL A 62 3.453 6.595 1.827 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.154 5.112 1.675 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.388 7.074 0.725 1.00 0.00 C ATOM 0 H VAL A 62 2.892 8.978 3.002 1.00 0.00 H new ATOM 0 HA VAL A 62 1.711 7.379 0.822 1.00 0.00 H new ATOM 0 HB VAL A 62 3.950 6.744 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.088 4.550 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.525 4.781 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.634 4.940 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.305 6.485 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.901 6.955 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.629 8.125 0.884 1.00 0.00 H new ATOM 897 N THR A 63 0.533 5.708 2.419 1.00 0.00 N ATOM 898 CA THR A 63 -0.427 5.026 3.279 1.00 0.00 C ATOM 899 C THR A 63 -0.121 3.536 3.371 1.00 0.00 C ATOM 900 O THR A 63 0.093 2.872 2.356 1.00 0.00 O ATOM 901 CB THR A 63 -1.868 5.213 2.769 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.175 6.608 2.666 1.00 0.00 O ATOM 903 CG2 THR A 63 -2.863 4.538 3.701 1.00 0.00 C ATOM 0 H THR A 63 0.662 5.275 1.505 1.00 0.00 H new ATOM 0 HA THR A 63 -0.339 5.473 4.269 1.00 0.00 H new ATOM 0 HB THR A 63 -1.944 4.751 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.092 6.718 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.874 4.683 3.321 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.645 3.471 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.783 4.975 4.696 1.00 0.00 H new ATOM 911 N HIS A 64 -0.102 3.015 4.594 1.00 0.00 N ATOM 912 CA HIS A 64 0.176 1.600 4.818 1.00 0.00 C ATOM 913 C HIS A 64 -1.063 0.879 5.340 1.00 0.00 C ATOM 914 O HIS A 64 -1.519 1.139 6.454 1.00 0.00 O ATOM 915 CB HIS A 64 1.331 1.437 5.807 1.00 0.00 C ATOM 916 CG HIS A 64 2.536 2.257 5.462 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.256 2.084 4.299 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.146 3.262 6.134 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.258 2.946 4.272 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.212 3.673 5.373 1.00 0.00 N ATOM 0 H HIS A 64 -0.276 3.551 5.444 1.00 0.00 H new ATOM 0 HA HIS A 64 0.458 1.154 3.864 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.987 1.714 6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.617 0.386 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.849 3.665 7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.990 3.040 3.483 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.863 4.419 5.618 1.00 0.00 H new ATOM 929 N ILE A 65 -1.600 -0.025 4.529 1.00 0.00 N ATOM 930 CA ILE A 65 -2.785 -0.783 4.910 1.00 0.00 C ATOM 931 C ILE A 65 -2.439 -2.241 5.191 1.00 0.00 C ATOM 932 O ILE A 65 -2.010 -2.973 4.299 1.00 0.00 O ATOM 933 CB ILE A 65 -3.867 -0.726 3.815 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.326 0.717 3.595 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.046 -1.612 4.188 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.016 0.935 2.267 1.00 0.00 C ATOM 0 H ILE A 65 -1.234 -0.251 3.604 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.174 -0.323 5.818 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.440 -1.097 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.005 1.000 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.462 1.378 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.802 -1.561 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.707 -2.642 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.475 -1.269 5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.314 1.980 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.332 0.683 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.899 0.299 2.207 1.00 0.00 H new ATOM 948 N LYS A 66 -2.628 -2.659 6.438 1.00 0.00 N ATOM 949 CA LYS A 66 -2.339 -4.031 6.839 1.00 0.00 C ATOM 950 C LYS A 66 -3.219 -5.016 6.077 1.00 0.00 C ATOM 951 O LYS A 66 -4.432 -5.066 6.280 1.00 0.00 O ATOM 952 CB LYS A 66 -2.551 -4.200 8.345 1.00 0.00 C ATOM 953 CG LYS A 66 -1.420 -3.633 9.185 1.00 0.00 C ATOM 954 CD LYS A 66 -1.300 -4.352 10.518 1.00 0.00 C ATOM 955 CE LYS A 66 -0.659 -3.466 11.575 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.539 -2.325 11.949 1.00 0.00 N ATOM 0 H LYS A 66 -2.981 -2.066 7.189 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.297 -4.241 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.483 -3.712 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.664 -5.260 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.481 -3.719 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.591 -2.571 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.289 -4.664 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.706 -5.257 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.438 -4.060 12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.291 -3.085 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.291 -1.994 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.409 -1.549 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.532 -2.634 11.937 1.00 0.00 H new ATOM 970 N VAL A 67 -2.600 -5.802 5.203 1.00 0.00 N ATOM 971 CA VAL A 67 -3.326 -6.789 4.412 1.00 0.00 C ATOM 972 C VAL A 67 -3.321 -8.152 5.097 1.00 0.00 C ATOM 973 O VAL A 67 -2.263 -8.726 5.350 1.00 0.00 O ATOM 974 CB VAL A 67 -2.725 -6.934 3.002 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.483 -7.981 2.202 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.731 -5.593 2.282 1.00 0.00 C ATOM 0 H VAL A 67 -1.596 -5.775 5.024 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.352 -6.431 4.325 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.691 -7.266 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.043 -8.069 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.423 -8.943 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.528 -7.684 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.303 -5.712 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.756 -5.231 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.139 -4.874 2.848 1.00 0.00 H new ATOM 986 N MET A 68 -4.511 -8.665 5.391 1.00 0.00 N ATOM 987 CA MET A 68 -4.644 -9.961 6.044 1.00 0.00 C ATOM 988 C MET A 68 -4.898 -11.063 5.020 1.00 0.00 C ATOM 989 O MET A 68 -5.841 -10.984 4.230 1.00 0.00 O ATOM 990 CB MET A 68 -5.782 -9.928 7.066 1.00 0.00 C ATOM 991 CG MET A 68 -5.534 -8.970 8.221 1.00 0.00 C ATOM 992 SD MET A 68 -7.038 -8.579 9.135 1.00 0.00 S ATOM 993 CE MET A 68 -7.353 -6.909 8.568 1.00 0.00 C ATOM 0 H MET A 68 -5.397 -8.203 5.187 1.00 0.00 H new ATOM 0 HA MET A 68 -3.708 -10.176 6.560 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.705 -9.644 6.561 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.932 -10.932 7.463 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.804 -9.409 8.901 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.098 -8.048 7.836 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.274 -6.540 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.524 -6.264 8.858 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.453 -6.906 7.483 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.054 -12.088 5.038 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.187 -13.205 4.109 1.00 0.00 C ATOM 1005 C CYS A 69 -4.660 -14.461 4.833 1.00 0.00 C ATOM 1006 O CYS A 69 -4.248 -14.731 5.961 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.853 -13.476 3.410 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.855 -14.951 2.366 1.00 0.00 S ATOM 0 H CYS A 69 -3.270 -12.169 5.686 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.933 -12.936 3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.593 -12.612 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.074 -13.579 4.165 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.944 -14.979 1.656 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.529 -15.224 4.178 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.059 -16.450 4.761 1.00 0.00 C ATOM 1016 C GLU A 70 -5.883 -17.628 3.808 1.00 0.00 C ATOM 1017 O GLU A 70 -6.858 -18.235 3.367 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.540 -16.277 5.107 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.802 -15.197 6.143 1.00 0.00 C ATOM 1020 CD GLU A 70 -9.234 -15.201 6.641 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -10.127 -15.622 5.876 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.462 -14.784 7.796 1.00 0.00 O ATOM 0 H GLU A 70 -5.881 -15.015 3.244 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.501 -16.658 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.091 -16.037 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.931 -17.225 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.127 -15.338 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.574 -14.222 5.712 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.630 -17.943 3.492 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.347 -19.046 2.592 1.00 0.00 C ATOM 1031 C GLY A 71 -5.120 -18.946 1.291 1.00 0.00 C ATOM 1032 O GLY A 71 -6.257 -19.407 1.199 1.00 0.00 O ATOM 0 H GLY A 71 -3.806 -17.454 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.279 -19.069 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.593 -19.986 3.086 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.501 -18.339 0.282 1.00 0.00 N ATOM 1037 CA GLY A 72 -5.154 -18.189 -1.005 1.00 0.00 C ATOM 1038 C GLY A 72 -6.224 -17.115 -0.990 1.00 0.00 C ATOM 1039 O GLY A 72 -7.055 -17.046 -1.896 1.00 0.00 O ATOM 0 H GLY A 72 -3.560 -17.949 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.408 -17.944 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.602 -19.140 -1.295 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.206 -16.277 0.041 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.184 -15.204 0.170 1.00 0.00 C ATOM 1045 C ARG A 73 -6.552 -13.966 0.801 1.00 0.00 C ATOM 1046 O ARG A 73 -5.457 -14.031 1.359 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.373 -15.668 1.012 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.119 -16.849 0.413 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.715 -17.738 1.494 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.595 -16.994 2.392 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.149 -17.519 3.478 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.915 -18.784 3.802 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.939 -16.778 4.246 1.00 0.00 N ATOM 0 H ARG A 73 -5.525 -16.320 0.799 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.535 -14.943 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.019 -15.939 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.066 -14.836 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.913 -16.486 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.439 -17.434 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.275 -18.549 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.911 -18.195 2.071 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.795 -16.018 2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.308 -19.357 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.342 -19.184 4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.121 -15.805 4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.364 -17.182 5.080 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.251 -12.840 0.709 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.758 -11.587 1.268 1.00 0.00 C ATOM 1069 C TYR A 74 -7.915 -10.685 1.687 1.00 0.00 C ATOM 1070 O TYR A 74 -8.991 -10.717 1.089 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.874 -10.863 0.251 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.669 -11.666 -0.184 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -4.738 -12.524 -1.275 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.462 -11.568 0.497 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -3.640 -13.260 -1.676 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -2.358 -12.300 0.103 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.452 -13.144 -0.985 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.355 -13.875 -1.379 1.00 0.00 O ATOM 0 H TYR A 74 -8.161 -12.769 0.253 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.165 -11.821 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.472 -10.616 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.536 -9.921 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.666 -12.617 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.385 -10.909 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.711 -13.923 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.427 -12.212 0.643 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.600 -13.676 -0.787 1.00 0.00 H new ATOM 1088 N THR A 75 -7.684 -9.878 2.718 1.00 0.00 N ATOM 1089 CA THR A 75 -8.706 -8.966 3.219 1.00 0.00 C ATOM 1090 C THR A 75 -8.077 -7.770 3.924 1.00 0.00 C ATOM 1091 O THR A 75 -6.901 -7.800 4.290 1.00 0.00 O ATOM 1092 CB THR A 75 -9.664 -9.677 4.193 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.818 -8.862 4.426 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.971 -9.973 5.513 1.00 0.00 C ATOM 0 H THR A 75 -6.798 -9.837 3.222 1.00 0.00 H new ATOM 0 HA THR A 75 -9.271 -8.618 2.354 1.00 0.00 H new ATOM 0 HB THR A 75 -9.971 -10.621 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.995 -8.814 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.667 -10.475 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.110 -10.617 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.639 -9.039 5.967 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.867 -6.718 4.112 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.387 -5.512 4.777 1.00 0.00 C ATOM 1104 C VAL A 76 -9.512 -4.817 5.535 1.00 0.00 C ATOM 1105 O VAL A 76 -10.451 -4.295 4.933 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.775 -4.521 3.768 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.554 -5.130 3.096 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.811 -4.105 2.734 1.00 0.00 C ATOM 0 H VAL A 76 -9.841 -6.676 3.814 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.617 -5.825 5.482 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.456 -3.629 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.135 -4.416 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.806 -5.373 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.844 -6.038 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.361 -3.405 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.162 -4.986 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.652 -3.626 3.234 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.413 -4.814 6.860 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.430 -4.181 7.679 1.00 0.00 C ATOM 1120 C GLY A 77 -11.701 -5.003 7.765 1.00 0.00 C ATOM 1121 O GLY A 77 -12.184 -5.299 8.857 1.00 0.00 O ATOM 0 H GLY A 77 -8.646 -5.239 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.036 -4.021 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.663 -3.199 7.268 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.245 -5.370 6.608 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.464 -6.157 6.579 1.00 0.00 C ATOM 1127 C GLY A 78 -13.191 -7.643 6.456 1.00 0.00 C ATOM 1128 O GLY A 78 -12.070 -8.098 6.687 1.00 0.00 O ATOM 0 H GLY A 78 -11.863 -5.136 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.036 -5.970 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.082 -5.834 5.741 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.218 -8.402 6.092 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.086 -9.848 5.940 1.00 0.00 C ATOM 1134 C LEU A 79 -13.956 -10.229 4.469 1.00 0.00 C ATOM 1135 O LEU A 79 -13.462 -11.307 4.139 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.290 -10.559 6.558 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.654 -10.217 5.956 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.957 -11.125 4.773 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.746 -10.328 7.009 1.00 0.00 C ATOM 0 H LEU A 79 -15.152 -8.041 5.896 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.181 -10.162 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.136 -11.634 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.317 -10.327 7.623 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.625 -9.187 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.931 -10.868 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.190 -10.995 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.967 -12.163 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.709 -10.081 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.776 -11.347 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.537 -9.636 7.825 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.400 -9.337 3.589 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.332 -9.582 2.153 1.00 0.00 C ATOM 1153 C GLU A 80 -13.000 -10.222 1.773 1.00 0.00 C ATOM 1154 O GLU A 80 -11.999 -9.531 1.572 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.520 -8.274 1.381 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.943 -7.745 1.419 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.297 -7.116 2.753 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.471 -6.345 3.284 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.401 -7.397 3.265 1.00 0.00 O ATOM 0 H GLU A 80 -14.810 -8.439 3.845 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.135 -10.270 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.850 -7.519 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.226 -8.429 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.073 -7.007 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.635 -8.561 1.211 1.00 0.00 H new ATOM 1166 N THR A 81 -12.993 -11.549 1.677 1.00 0.00 N ATOM 1167 CA THR A 81 -11.786 -12.283 1.323 1.00 0.00 C ATOM 1168 C THR A 81 -11.716 -12.537 -0.178 1.00 0.00 C ATOM 1169 O THR A 81 -12.461 -13.357 -0.714 1.00 0.00 O ATOM 1170 CB THR A 81 -11.711 -13.631 2.065 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.948 -14.337 1.923 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.406 -13.421 3.539 1.00 0.00 C ATOM 0 H THR A 81 -13.811 -12.136 1.840 1.00 0.00 H new ATOM 0 HA THR A 81 -10.941 -11.664 1.623 1.00 0.00 H new ATOM 0 HB THR A 81 -10.906 -14.219 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.254 -14.277 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.358 -14.387 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.449 -12.910 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.192 -12.816 3.991 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.816 -11.830 -0.853 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.650 -11.978 -2.295 1.00 0.00 C ATOM 1182 C PHE A 82 -9.842 -13.231 -2.621 1.00 0.00 C ATOM 1183 O PHE A 82 -8.986 -13.651 -1.843 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.960 -10.744 -2.880 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.592 -9.449 -2.460 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.316 -8.897 -1.219 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.464 -8.782 -3.306 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.895 -7.704 -0.830 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.046 -7.588 -2.923 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.762 -7.050 -1.683 1.00 0.00 C ATOM 0 H PHE A 82 -10.190 -11.148 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.639 -12.077 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.913 -10.744 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.975 -10.811 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.640 -9.406 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.691 -9.200 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.670 -7.284 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.722 -7.077 -3.592 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.218 -6.119 -1.381 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.121 -13.821 -3.778 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.421 -15.025 -4.211 1.00 0.00 C ATOM 1202 C ASP A 83 -7.909 -14.818 -4.172 1.00 0.00 C ATOM 1203 O ASP A 83 -7.150 -15.755 -3.920 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.859 -15.418 -5.622 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.306 -15.866 -5.676 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.686 -16.738 -4.866 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -12.057 -15.348 -6.528 1.00 0.00 O ATOM 0 H ASP A 83 -10.827 -13.485 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.677 -15.831 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.719 -14.570 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.219 -16.221 -5.987 1.00 0.00 H new ATOM 1212 N SER A 84 -7.480 -13.586 -4.426 1.00 0.00 N ATOM 1213 CA SER A 84 -6.059 -13.258 -4.425 1.00 0.00 C ATOM 1214 C SER A 84 -5.852 -11.746 -4.445 1.00 0.00 C ATOM 1215 O SER A 84 -6.789 -10.982 -4.676 1.00 0.00 O ATOM 1216 CB SER A 84 -5.366 -13.895 -5.630 1.00 0.00 C ATOM 1217 OG SER A 84 -5.032 -15.247 -5.370 1.00 0.00 O ATOM 0 H SER A 84 -8.095 -12.799 -4.635 1.00 0.00 H new ATOM 0 HA SER A 84 -5.619 -13.656 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.020 -13.840 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.463 -13.334 -5.873 1.00 0.00 H new ATOM 0 HG SER A 84 -5.511 -15.555 -4.572 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.616 -11.321 -4.202 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.283 -9.901 -4.192 1.00 0.00 C ATOM 1225 C LEU A 85 -4.660 -9.245 -5.517 1.00 0.00 C ATOM 1226 O LEU A 85 -5.070 -8.084 -5.552 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.790 -9.710 -3.922 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.384 -9.589 -2.452 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.936 -10.011 -2.262 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.597 -8.167 -1.955 1.00 0.00 C ATOM 0 H LEU A 85 -3.828 -11.940 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.854 -9.424 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.252 -10.551 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.458 -8.813 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.015 -10.256 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.665 -9.918 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.814 -11.047 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.289 -9.371 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.303 -8.100 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.992 -7.480 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.649 -7.901 -2.054 1.00 0.00 H new ATOM 1242 N THR A 86 -4.521 -9.996 -6.605 1.00 0.00 N ATOM 1243 CA THR A 86 -4.847 -9.487 -7.932 1.00 0.00 C ATOM 1244 C THR A 86 -6.285 -8.984 -7.989 1.00 0.00 C ATOM 1245 O THR A 86 -6.590 -8.028 -8.701 1.00 0.00 O ATOM 1246 CB THR A 86 -4.650 -10.568 -9.011 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.285 -11.002 -9.027 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.034 -10.038 -10.384 1.00 0.00 C ATOM 0 H THR A 86 -4.185 -10.959 -6.594 1.00 0.00 H new ATOM 0 HA THR A 86 -4.167 -8.658 -8.130 1.00 0.00 H new ATOM 0 HB THR A 86 -5.296 -11.412 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.169 -11.690 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.887 -10.819 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.081 -9.736 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.410 -9.179 -10.630 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.165 -9.633 -7.234 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.571 -9.251 -7.198 1.00 0.00 C ATOM 1258 C ASP A 87 -8.824 -8.214 -6.108 1.00 0.00 C ATOM 1259 O ASP A 87 -9.504 -7.212 -6.335 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.451 -10.480 -6.964 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.833 -10.325 -7.567 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -11.525 -9.343 -7.225 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.225 -11.187 -8.381 1.00 0.00 O ATOM 0 H ASP A 87 -6.929 -10.427 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.827 -8.810 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.967 -11.357 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.543 -10.659 -5.893 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.274 -8.461 -4.924 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.441 -7.549 -3.797 1.00 0.00 C ATOM 1270 C LEU A 88 -7.968 -6.145 -4.159 1.00 0.00 C ATOM 1271 O LEU A 88 -8.566 -5.152 -3.746 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.667 -8.063 -2.582 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.493 -7.073 -1.430 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.418 -7.808 -0.101 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.249 -6.223 -1.642 1.00 0.00 C ATOM 0 H LEU A 88 -7.709 -9.285 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.502 -7.503 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.175 -8.948 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.679 -8.381 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.361 -6.414 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.294 -7.087 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.337 -8.373 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.569 -8.492 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.140 -5.524 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.372 -6.868 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.343 -5.667 -2.575 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.892 -6.070 -4.936 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.341 -4.788 -5.357 1.00 0.00 C ATOM 1289 C VAL A 89 -7.102 -4.229 -6.553 1.00 0.00 C ATOM 1290 O VAL A 89 -7.415 -3.039 -6.601 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.850 -4.911 -5.722 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.324 -3.593 -6.271 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.039 -5.355 -4.514 1.00 0.00 C ATOM 0 H VAL A 89 -6.385 -6.882 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.445 -4.106 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.746 -5.669 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.269 -3.699 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.885 -3.321 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.440 -2.813 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.988 -5.436 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.148 -4.623 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.400 -6.324 -4.170 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.397 -5.094 -7.517 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.123 -4.686 -8.714 1.00 0.00 C ATOM 1305 C GLU A 90 -9.449 -4.027 -8.349 1.00 0.00 C ATOM 1306 O GLU A 90 -9.860 -3.045 -8.968 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.372 -5.891 -9.623 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.264 -6.129 -10.637 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.568 -7.283 -11.572 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -8.632 -7.253 -12.226 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.742 -8.216 -11.649 1.00 0.00 O ATOM 0 H GLU A 90 -7.145 -6.082 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.511 -3.959 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.487 -6.783 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.313 -5.747 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.111 -5.222 -11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.331 -6.329 -10.110 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.117 -4.575 -7.338 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.398 -4.042 -6.889 1.00 0.00 C ATOM 1320 C HIS A 91 -11.234 -2.630 -6.332 1.00 0.00 C ATOM 1321 O HIS A 91 -12.122 -1.789 -6.472 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.010 -4.954 -5.826 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.409 -4.578 -5.448 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.524 -5.184 -5.990 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -13.872 -3.655 -4.574 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.612 -4.647 -5.467 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.244 -3.717 -4.604 1.00 0.00 N ATOM 0 H HIS A 91 -9.792 -5.388 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.067 -3.999 -7.749 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.005 -5.980 -6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.383 -4.931 -4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.274 -2.993 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.629 -4.922 -5.705 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.876 -3.139 -4.050 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.092 -2.379 -5.700 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.812 -1.070 -5.120 1.00 0.00 C ATOM 1338 C PHE A 92 -9.322 -0.096 -6.187 1.00 0.00 C ATOM 1339 O PHE A 92 -9.485 1.117 -6.059 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.768 -1.194 -4.008 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.321 -1.748 -2.726 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.475 -1.221 -2.168 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.686 -2.795 -2.078 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.986 -1.728 -0.989 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.194 -3.307 -0.898 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.345 -2.772 -0.353 1.00 0.00 C ATOM 0 H PHE A 92 -9.346 -3.064 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.739 -0.682 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.957 -1.836 -4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.337 -0.212 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.981 -0.404 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.785 -3.216 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.886 -1.308 -0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.691 -4.125 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.743 -3.170 0.569 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.719 -0.636 -7.240 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.205 0.182 -8.331 1.00 0.00 C ATOM 1358 C LYS A 93 -9.337 0.910 -9.048 1.00 0.00 C ATOM 1359 O LYS A 93 -9.131 1.963 -9.651 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.431 -0.685 -9.327 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.057 -1.101 -8.833 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.434 -2.153 -9.736 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.614 -1.516 -10.848 1.00 0.00 C ATOM 1364 NZ LYS A 93 -5.468 -1.090 -11.992 1.00 0.00 N ATOM 0 H LYS A 93 -8.574 -1.638 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.531 0.926 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.014 -1.579 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.321 -0.138 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.406 -0.228 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.137 -1.492 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.798 -2.812 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.219 -2.773 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.077 -0.653 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.864 -2.225 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.910 -1.113 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.278 -1.736 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.813 -0.123 -11.826 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.537 0.342 -8.976 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.706 0.937 -9.614 1.00 0.00 C ATOM 1380 C LYS A 94 -12.600 1.619 -8.585 1.00 0.00 C ATOM 1381 O LYS A 94 -13.168 2.680 -8.845 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.499 -0.131 -10.369 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.781 -1.376 -9.543 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.731 -2.318 -10.262 1.00 0.00 C ATOM 1385 CE LYS A 94 -15.182 -1.919 -10.044 1.00 0.00 C ATOM 1386 NZ LYS A 94 -16.115 -3.050 -10.307 1.00 0.00 N ATOM 0 H LYS A 94 -10.725 -0.530 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.359 1.690 -10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.445 0.297 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.947 -0.416 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.845 -1.893 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.210 -1.088 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.508 -2.316 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.575 -3.336 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.313 -1.571 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.431 -1.083 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.094 -2.737 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.009 -3.366 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.895 -3.838 -9.665 1.00 0.00 H new ATOM 1400 N THR A 95 -12.721 1.004 -7.412 1.00 0.00 N ATOM 1401 CA THR A 95 -13.547 1.551 -6.344 1.00 0.00 C ATOM 1402 C THR A 95 -12.725 2.434 -5.412 1.00 0.00 C ATOM 1403 O THR A 95 -13.124 3.552 -5.087 1.00 0.00 O ATOM 1404 CB THR A 95 -14.212 0.433 -5.519 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.213 -0.324 -4.826 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.025 -0.490 -6.413 1.00 0.00 C ATOM 0 H THR A 95 -12.257 0.126 -7.178 1.00 0.00 H new ATOM 0 HA THR A 95 -14.323 2.151 -6.820 1.00 0.00 H new ATOM 0 HB THR A 95 -14.884 0.896 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.985 -1.121 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.485 -1.271 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.803 0.084 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.371 -0.945 -7.157 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.572 1.926 -4.985 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.712 2.683 -4.095 1.00 0.00 C ATOM 1416 C GLY A 96 -10.843 2.245 -2.651 1.00 0.00 C ATOM 1417 O GLY A 96 -11.853 1.656 -2.263 1.00 0.00 O ATOM 0 H GLY A 96 -11.219 1.004 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.676 2.570 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.956 3.743 -4.174 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.820 2.530 -1.851 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.826 2.160 -0.442 1.00 0.00 C ATOM 1423 C ILE A 97 -10.240 3.339 0.434 1.00 0.00 C ATOM 1424 O ILE A 97 -9.730 4.447 0.281 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.443 1.658 0.013 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.047 0.406 -0.771 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.450 1.373 1.509 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.595 0.018 -0.598 1.00 0.00 C ATOM 0 H ILE A 97 -8.977 3.016 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.551 1.354 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.706 2.436 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.677 -0.425 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.247 0.572 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.466 1.019 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.693 2.286 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.196 0.610 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.386 -0.878 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.957 0.832 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.394 -0.180 0.455 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.168 3.088 1.352 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.650 4.128 2.253 1.00 0.00 C ATOM 1442 C GLU A 98 -11.102 3.924 3.662 1.00 0.00 C ATOM 1443 O GLU A 98 -11.308 2.876 4.274 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.180 4.137 2.285 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.769 5.387 2.918 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.265 5.282 3.136 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.994 5.042 2.150 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.708 5.438 4.293 1.00 0.00 O ATOM 0 H GLU A 98 -11.600 2.175 1.491 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.296 5.089 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.557 4.044 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.529 3.263 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.279 5.571 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.558 6.246 2.281 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.401 4.934 4.170 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.822 4.865 5.507 1.00 0.00 C ATOM 1457 C GLU A 99 -10.891 5.077 6.574 1.00 0.00 C ATOM 1458 O GLU A 99 -11.893 5.753 6.339 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.716 5.911 5.662 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.385 5.481 5.066 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.452 6.651 4.820 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.357 7.530 5.702 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.817 6.687 3.745 1.00 0.00 O ATOM 0 H GLU A 99 -10.221 5.808 3.676 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.394 3.871 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.035 6.838 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.578 6.127 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.902 4.771 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.564 4.959 4.126 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.670 4.495 7.749 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.612 4.622 8.854 1.00 0.00 C ATOM 1472 C ALA A 100 -11.964 6.083 9.111 1.00 0.00 C ATOM 1473 O ALA A 100 -13.082 6.401 9.517 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.038 3.986 10.112 1.00 0.00 C ATOM 0 H ALA A 100 -9.847 3.931 7.960 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.528 4.098 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.752 4.088 10.929 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.844 2.929 9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.106 4.485 10.379 1.00 0.00 H new ATOM 1480 N SER A 101 -11.002 6.970 8.872 1.00 0.00 N ATOM 1481 CA SER A 101 -11.210 8.398 9.083 1.00 0.00 C ATOM 1482 C SER A 101 -12.058 8.994 7.962 1.00 0.00 C ATOM 1483 O SER A 101 -12.940 9.816 8.207 1.00 0.00 O ATOM 1484 CB SER A 101 -9.865 9.123 9.162 1.00 0.00 C ATOM 1485 OG SER A 101 -9.990 10.354 9.855 1.00 0.00 O ATOM 0 H SER A 101 -10.072 6.725 8.532 1.00 0.00 H new ATOM 0 HA SER A 101 -11.741 8.529 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.136 8.490 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.486 9.305 8.156 1.00 0.00 H new ATOM 0 HG SER A 101 -9.117 10.798 9.894 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.782 8.573 6.733 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.527 9.075 5.592 1.00 0.00 C ATOM 1493 C GLY A 102 -11.685 9.141 4.333 1.00 0.00 C ATOM 1494 O GLY A 102 -12.183 8.904 3.233 1.00 0.00 O ATOM 0 H GLY A 102 -11.056 7.893 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.390 8.433 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.911 10.069 5.821 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.407 9.465 4.494 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.494 9.562 3.361 1.00 0.00 C ATOM 1500 C ALA A 103 -9.783 8.476 2.330 1.00 0.00 C ATOM 1501 O ALA A 103 -10.181 7.364 2.679 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.052 9.471 3.836 1.00 0.00 C ATOM 0 H ALA A 103 -9.980 9.665 5.398 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.647 10.530 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.382 9.545 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.845 10.286 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.894 8.517 4.339 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.579 8.804 1.059 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.820 7.857 -0.023 1.00 0.00 C ATOM 1510 C PHE A 104 -8.543 7.608 -0.822 1.00 0.00 C ATOM 1511 O PHE A 104 -8.039 8.502 -1.501 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.921 8.376 -0.949 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.306 8.000 -0.504 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.828 6.751 -0.799 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.084 8.896 0.210 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.102 6.404 -0.391 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.359 8.554 0.622 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.867 7.306 0.322 1.00 0.00 C ATOM 0 H PHE A 104 -9.247 9.719 0.753 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.142 6.914 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.850 9.462 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.753 7.988 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.233 6.041 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.690 9.873 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.499 5.428 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.956 9.262 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.862 7.035 0.645 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.025 6.387 -0.733 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.808 6.020 -1.448 1.00 0.00 C ATOM 1530 C VAL A 105 -7.132 5.429 -2.816 1.00 0.00 C ATOM 1531 O VAL A 105 -7.967 4.534 -2.936 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.973 5.003 -0.647 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.692 4.659 -1.391 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.664 5.545 0.741 1.00 0.00 C ATOM 0 H VAL A 105 -8.429 5.636 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.228 6.934 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.556 4.089 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.116 3.939 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.939 4.227 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.102 5.564 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.074 4.814 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.101 6.474 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.596 5.735 1.273 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.462 5.936 -3.845 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.679 5.461 -5.207 1.00 0.00 C ATOM 1546 C TYR A 106 -5.425 4.785 -5.753 1.00 0.00 C ATOM 1547 O TYR A 106 -4.317 5.306 -5.623 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.083 6.621 -6.117 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.237 7.438 -5.579 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.372 6.822 -5.067 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.190 8.828 -5.582 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.428 7.565 -4.575 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.242 9.579 -5.091 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.357 8.943 -4.589 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.407 9.686 -4.100 1.00 0.00 O ATOM 0 H TYR A 106 -5.764 6.676 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.486 4.728 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.223 7.274 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.353 6.227 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.430 5.744 -5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.317 9.329 -5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.304 7.070 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.190 10.658 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.198 10.640 -4.181 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.609 3.620 -6.366 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.493 2.871 -6.934 1.00 0.00 C ATOM 1567 C LEU A 107 -4.629 2.759 -8.450 1.00 0.00 C ATOM 1568 O LEU A 107 -5.479 2.025 -8.954 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.423 1.475 -6.313 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.787 1.381 -4.831 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.272 1.108 -4.662 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.963 0.299 -4.147 1.00 0.00 C ATOM 0 H LEU A 107 -6.519 3.174 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.573 3.409 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.088 0.817 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.411 1.092 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.559 2.337 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.512 1.044 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.845 1.917 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.526 0.166 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.235 0.246 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.160 -0.663 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.903 0.538 -4.236 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.784 3.490 -9.169 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.809 3.472 -10.627 1.00 0.00 C ATOM 1586 C ARG A 108 -2.441 3.096 -11.189 1.00 0.00 C ATOM 1587 O ARG A 108 -2.338 2.577 -12.300 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.236 4.837 -11.168 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.563 5.326 -10.609 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.008 6.617 -11.278 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.404 6.407 -12.667 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.532 7.388 -13.552 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.297 8.643 -13.194 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -6.898 7.117 -14.799 1.00 0.00 N ATOM 0 H ARG A 108 -3.074 4.102 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.533 2.721 -10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.462 5.569 -10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.307 4.782 -12.254 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.324 4.559 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.470 5.485 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.844 7.043 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.197 7.344 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.593 5.453 -12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.017 8.856 -12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.396 9.395 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.081 6.153 -15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.996 7.872 -15.477 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.395 3.362 -10.414 1.00 0.00 N ATOM 1609 CA GLN A 109 -0.034 3.052 -10.836 1.00 0.00 C ATOM 1610 C GLN A 109 0.540 1.900 -10.019 1.00 0.00 C ATOM 1611 O GLN A 109 1.042 2.083 -8.909 1.00 0.00 O ATOM 1612 CB GLN A 109 0.859 4.286 -10.697 1.00 0.00 C ATOM 1613 CG GLN A 109 0.906 5.147 -11.949 1.00 0.00 C ATOM 1614 CD GLN A 109 1.119 6.616 -11.640 1.00 0.00 C ATOM 1615 OE1 GLN A 109 1.980 7.268 -12.231 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.334 7.145 -10.709 1.00 0.00 N ATOM 0 H GLN A 109 -1.463 3.791 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.065 2.751 -11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.502 4.891 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.871 3.966 -10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.709 4.796 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.025 5.027 -12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.367 6.567 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.432 8.129 -10.458 1.00 0.00 H new ATOM 1625 N PRO A 110 0.466 0.683 -10.577 1.00 0.00 N ATOM 1626 CA PRO A 110 0.974 -0.524 -9.917 1.00 0.00 C ATOM 1627 C PRO A 110 2.497 -0.545 -9.840 1.00 0.00 C ATOM 1628 O PRO A 110 3.166 -1.079 -10.725 1.00 0.00 O ATOM 1629 CB PRO A 110 0.468 -1.658 -10.813 1.00 0.00 C ATOM 1630 CG PRO A 110 0.295 -1.032 -12.153 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.119 0.391 -11.897 1.00 0.00 C ATOM 0 HA PRO A 110 0.636 -0.596 -8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.181 -2.482 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.472 -2.066 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.222 -1.071 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.461 -1.559 -12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.263 1.065 -12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.204 0.499 -11.889 1.00 0.00 H new ATOM 1639 N TYR A 111 3.038 0.038 -8.776 1.00 0.00 N ATOM 1640 CA TYR A 111 4.483 0.088 -8.584 1.00 0.00 C ATOM 1641 C TYR A 111 5.119 -1.265 -8.885 1.00 0.00 C ATOM 1642 O TYR A 111 4.908 -2.238 -8.159 1.00 0.00 O ATOM 1643 CB TYR A 111 4.813 0.514 -7.153 1.00 0.00 C ATOM 1644 CG TYR A 111 6.162 1.183 -7.017 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.486 2.299 -7.779 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.114 0.699 -6.128 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.717 2.914 -7.659 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.348 1.308 -6.000 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.645 2.415 -6.768 1.00 0.00 C ATOM 1650 OH TYR A 111 9.872 3.024 -6.645 1.00 0.00 O ATOM 0 H TYR A 111 2.498 0.482 -8.033 1.00 0.00 H new ATOM 0 HA TYR A 111 4.892 0.823 -9.278 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.041 1.197 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.785 -0.363 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.762 2.693 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.886 -0.168 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.952 3.781 -8.259 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.076 0.920 -5.303 1.00 0.00 H new ATOM 0 HH TYR A 111 9.784 3.980 -6.841 1.00 0.00 H new ATOM 1660 N TYR A 112 5.900 -1.320 -9.958 1.00 0.00 N ATOM 1661 CA TYR A 112 6.566 -2.554 -10.357 1.00 0.00 C ATOM 1662 C TYR A 112 7.941 -2.666 -9.705 1.00 0.00 C ATOM 1663 O TYR A 112 8.615 -1.662 -9.474 1.00 0.00 O ATOM 1664 CB TYR A 112 6.706 -2.615 -11.879 1.00 0.00 C ATOM 1665 CG TYR A 112 5.381 -2.617 -12.608 1.00 0.00 C ATOM 1666 CD1 TYR A 112 4.714 -1.429 -12.883 1.00 0.00 C ATOM 1667 CD2 TYR A 112 4.797 -3.807 -13.024 1.00 0.00 C ATOM 1668 CE1 TYR A 112 3.504 -1.427 -13.548 1.00 0.00 C ATOM 1669 CE2 TYR A 112 3.587 -3.814 -13.692 1.00 0.00 C ATOM 1670 CZ TYR A 112 2.944 -2.622 -13.951 1.00 0.00 C ATOM 1671 OH TYR A 112 1.739 -2.623 -14.615 1.00 0.00 O ATOM 0 H TYR A 112 6.087 -0.524 -10.567 1.00 0.00 H new ATOM 0 HA TYR A 112 5.954 -3.391 -10.021 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.296 -1.762 -12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.261 -3.513 -12.149 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.150 -0.491 -12.571 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.297 -4.743 -12.822 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.998 -0.495 -13.752 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.147 -4.748 -14.009 1.00 0.00 H new ATOM 0 HH TYR A 112 1.484 -3.545 -14.829 1.00 0.00 H new ATOM 1681 N SER A 113 8.350 -3.896 -9.409 1.00 0.00 N ATOM 1682 CA SER A 113 9.643 -4.141 -8.780 1.00 0.00 C ATOM 1683 C SER A 113 10.783 -3.720 -9.702 1.00 0.00 C ATOM 1684 O SER A 113 11.852 -3.319 -9.242 1.00 0.00 O ATOM 1685 CB SER A 113 9.785 -5.620 -8.417 1.00 0.00 C ATOM 1686 OG SER A 113 9.697 -6.439 -9.570 1.00 0.00 O ATOM 0 H SER A 113 7.805 -4.738 -9.595 1.00 0.00 H new ATOM 0 HA SER A 113 9.696 -3.544 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.742 -5.786 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.006 -5.900 -7.708 1.00 0.00 H new ATOM 0 HG SER A 113 9.792 -7.379 -9.311 1.00 0.00 H new ATOM 1692 N GLY A 114 10.548 -3.814 -11.007 1.00 0.00 N ATOM 1693 CA GLY A 114 11.563 -3.440 -11.974 1.00 0.00 C ATOM 1694 C GLY A 114 12.745 -4.389 -11.969 1.00 0.00 C ATOM 1695 O GLY A 114 12.630 -5.559 -12.336 1.00 0.00 O ATOM 0 H GLY A 114 9.672 -4.143 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.121 -3.420 -12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.911 -2.430 -11.759 1.00 0.00 H new ATOM 1699 N PRO A 115 13.914 -3.883 -11.547 1.00 0.00 N ATOM 1700 CA PRO A 115 15.144 -4.677 -11.488 1.00 0.00 C ATOM 1701 C PRO A 115 15.097 -5.740 -10.395 1.00 0.00 C ATOM 1702 O PRO A 115 14.655 -5.474 -9.277 1.00 0.00 O ATOM 1703 CB PRO A 115 16.223 -3.637 -11.177 1.00 0.00 C ATOM 1704 CG PRO A 115 15.498 -2.535 -10.486 1.00 0.00 C ATOM 1705 CD PRO A 115 14.124 -2.498 -11.096 1.00 0.00 C ATOM 0 HA PRO A 115 15.318 -5.228 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.005 -4.055 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.706 -3.283 -12.088 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.444 -2.716 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.012 -1.583 -10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.370 -2.193 -10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.071 -1.793 -11.926 1.00 0.00 H new ATOM 1713 N SER A 116 15.556 -6.943 -10.724 1.00 0.00 N ATOM 1714 CA SER A 116 15.561 -8.046 -9.771 1.00 0.00 C ATOM 1715 C SER A 116 16.983 -8.544 -9.526 1.00 0.00 C ATOM 1716 O SER A 116 17.226 -9.748 -9.452 1.00 0.00 O ATOM 1717 CB SER A 116 14.688 -9.194 -10.280 1.00 0.00 C ATOM 1718 OG SER A 116 13.328 -8.803 -10.362 1.00 0.00 O ATOM 0 H SER A 116 15.929 -7.179 -11.644 1.00 0.00 H new ATOM 0 HA SER A 116 15.153 -7.681 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.038 -9.513 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.784 -10.051 -9.613 1.00 0.00 H new ATOM 0 HG SER A 116 12.791 -9.554 -10.691 1.00 0.00 H new ATOM 1724 N SER A 117 17.918 -7.608 -9.400 1.00 0.00 N ATOM 1725 CA SER A 117 19.316 -7.950 -9.167 1.00 0.00 C ATOM 1726 C SER A 117 20.002 -6.883 -8.321 1.00 0.00 C ATOM 1727 O SER A 117 19.785 -5.687 -8.512 1.00 0.00 O ATOM 1728 CB SER A 117 20.052 -8.112 -10.499 1.00 0.00 C ATOM 1729 OG SER A 117 21.456 -8.115 -10.308 1.00 0.00 O ATOM 0 H SER A 117 17.733 -6.607 -9.455 1.00 0.00 H new ATOM 0 HA SER A 117 19.348 -8.895 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.745 -9.042 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.775 -7.301 -11.172 1.00 0.00 H new ATOM 0 HG SER A 117 21.904 -8.221 -11.173 1.00 0.00 H new ATOM 1735 N GLY A 118 20.835 -7.324 -7.383 1.00 0.00 N ATOM 1736 CA GLY A 118 21.541 -6.397 -6.519 1.00 0.00 C ATOM 1737 C GLY A 118 20.701 -5.947 -5.341 1.00 0.00 C ATOM 1738 O GLY A 118 19.680 -6.573 -5.060 1.00 0.00 O ATOM 0 H GLY A 118 21.033 -8.309 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 118 22.452 -6.870 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 118 21.845 -5.525 -7.098 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 13.417 10.556 10.324 1.00 0.00 N ATOM 1744 CA ALA B 1 13.319 9.730 11.521 1.00 0.00 C ATOM 1745 C ALA B 1 12.167 8.737 11.411 1.00 0.00 C ATOM 1746 O ALA B 1 11.010 9.128 11.252 1.00 0.00 O ATOM 1747 CB ALA B 1 13.146 10.606 12.753 1.00 0.00 C ATOM 0 H1 ALA B 1 14.209 11.222 10.426 1.00 0.00 H new ATOM 0 H2 ALA B 1 13.580 9.949 9.496 1.00 0.00 H new ATOM 0 H3 ALA B 1 12.532 11.087 10.195 1.00 0.00 H new ATOM 0 HA ALA B 1 14.245 9.163 11.618 1.00 0.00 H new ATOM 0 HB1 ALA B 1 13.074 9.976 13.640 1.00 0.00 H new ATOM 0 HB2 ALA B 1 14.004 11.272 12.849 1.00 0.00 H new ATOM 0 HB3 ALA B 1 12.236 11.198 12.654 1.00 0.00 H new ATOM 1753 N THR B 2 12.490 7.450 11.493 1.00 0.00 N ATOM 1754 CA THR B 2 11.482 6.402 11.400 1.00 0.00 C ATOM 1755 C THR B 2 11.423 5.581 12.683 1.00 0.00 C ATOM 1756 O THR B 2 12.367 5.579 13.473 1.00 0.00 O ATOM 1757 CB THR B 2 11.760 5.459 10.214 1.00 0.00 C ATOM 1758 OG1 THR B 2 10.716 4.485 10.107 1.00 0.00 O ATOM 1759 CG2 THR B 2 13.100 4.758 10.383 1.00 0.00 C ATOM 0 H THR B 2 13.442 7.109 11.624 1.00 0.00 H new ATOM 0 HA THR B 2 10.524 6.898 11.244 1.00 0.00 H new ATOM 0 HB THR B 2 11.793 6.057 9.303 1.00 0.00 H new ATOM 0 HG1 THR B 2 10.899 3.891 9.350 1.00 0.00 H new ATOM 0 HG21 THR B 2 13.275 4.097 9.534 1.00 0.00 H new ATOM 0 HG22 THR B 2 13.896 5.501 10.434 1.00 0.00 H new ATOM 0 HG23 THR B 2 13.091 4.172 11.302 1.00 0.00 H new ATOM 1767 N GLU B 3 10.309 4.885 12.884 1.00 0.00 N ATOM 1768 CA GLU B 3 10.128 4.060 14.074 1.00 0.00 C ATOM 1769 C GLU B 3 9.953 2.592 13.696 1.00 0.00 C ATOM 1770 O GLU B 3 9.303 2.270 12.702 1.00 0.00 O ATOM 1771 CB GLU B 3 8.916 4.540 14.875 1.00 0.00 C ATOM 1772 CG GLU B 3 7.594 4.359 14.146 1.00 0.00 C ATOM 1773 CD GLU B 3 6.449 5.085 14.827 1.00 0.00 C ATOM 1774 OE1 GLU B 3 6.494 5.232 16.066 1.00 0.00 O ATOM 1775 OE2 GLU B 3 5.509 5.505 14.120 1.00 0.00 O ATOM 0 H GLU B 3 9.519 4.875 12.239 1.00 0.00 H new ATOM 0 HA GLU B 3 11.022 4.155 14.690 1.00 0.00 H new ATOM 0 HB2 GLU B 3 8.878 3.998 15.820 1.00 0.00 H new ATOM 0 HB3 GLU B 3 9.046 5.595 15.118 1.00 0.00 H new ATOM 0 HG2 GLU B 3 7.694 4.724 13.124 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.360 3.296 14.084 1.00 0.00 H new ATOM 1782 N GLN B 4 10.539 1.708 14.496 1.00 0.00 N ATOM 1783 CA GLN B 4 10.449 0.274 14.245 1.00 0.00 C ATOM 1784 C GLN B 4 9.051 -0.109 13.772 1.00 0.00 C ATOM 1785 O GLN B 4 8.879 -0.617 12.664 1.00 0.00 O ATOM 1786 CB GLN B 4 10.804 -0.510 15.510 1.00 0.00 C ATOM 1787 CG GLN B 4 11.131 -1.971 15.247 1.00 0.00 C ATOM 1788 CD GLN B 4 12.308 -2.147 14.308 1.00 0.00 C ATOM 1789 OE1 GLN B 4 12.145 -2.568 13.163 1.00 0.00 O ATOM 1790 NE2 GLN B 4 13.503 -1.824 14.789 1.00 0.00 N ATOM 0 H GLN B 4 11.081 1.959 15.323 1.00 0.00 H new ATOM 0 HA GLN B 4 11.161 0.023 13.458 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.658 -0.036 15.994 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.970 -0.453 16.209 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.349 -2.466 16.193 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.256 -2.464 14.823 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.592 -1.479 15.745 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.332 -1.921 14.203 1.00 0.00 H new ATOM 1799 N GLU B 5 8.056 0.138 14.617 1.00 0.00 N ATOM 1800 CA GLU B 5 6.673 -0.183 14.285 1.00 0.00 C ATOM 1801 C GLU B 5 6.006 0.979 13.555 1.00 0.00 C ATOM 1802 O GLU B 5 5.581 1.955 14.177 1.00 0.00 O ATOM 1803 CB GLU B 5 5.886 -0.523 15.552 1.00 0.00 C ATOM 1804 CG GLU B 5 5.918 -1.999 15.910 1.00 0.00 C ATOM 1805 CD GLU B 5 7.202 -2.400 16.611 1.00 0.00 C ATOM 1806 OE1 GLU B 5 8.269 -2.362 15.964 1.00 0.00 O ATOM 1807 OE2 GLU B 5 7.139 -2.755 17.807 1.00 0.00 O ATOM 0 H GLU B 5 8.182 0.560 15.537 1.00 0.00 H new ATOM 0 HA GLU B 5 6.677 -1.051 13.625 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.288 0.053 16.385 1.00 0.00 H new ATOM 0 HB3 GLU B 5 4.850 -0.212 15.420 1.00 0.00 H new ATOM 0 HG2 GLU B 5 5.069 -2.232 16.553 1.00 0.00 H new ATOM 0 HG3 GLU B 5 5.803 -2.592 15.003 1.00 0.00 H new ATOM 1814 N ILE B 6 5.918 0.869 12.234 1.00 0.00 N ATOM 1815 CA ILE B 6 5.302 1.909 11.419 1.00 0.00 C ATOM 1816 C ILE B 6 3.817 2.049 11.737 1.00 0.00 C ATOM 1817 O ILE B 6 3.168 1.092 12.161 1.00 0.00 O ATOM 1818 CB ILE B 6 5.469 1.620 9.916 1.00 0.00 C ATOM 1819 CG1 ILE B 6 6.953 1.530 9.553 1.00 0.00 C ATOM 1820 CG2 ILE B 6 4.780 2.695 9.090 1.00 0.00 C ATOM 1821 CD1 ILE B 6 7.540 0.151 9.747 1.00 0.00 C ATOM 0 H ILE B 6 6.266 0.069 11.705 1.00 0.00 H new ATOM 0 HA ILE B 6 5.812 2.842 11.659 1.00 0.00 H new ATOM 0 HB ILE B 6 5.001 0.662 9.691 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.083 1.828 8.513 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.511 2.242 10.161 1.00 0.00 H new ATOM 0 HG21 ILE B 6 4.907 2.476 8.030 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.717 2.714 9.332 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.221 3.666 9.316 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.594 0.162 9.470 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.442 -0.142 10.792 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.007 -0.563 9.119 1.00 0.00 H new ATOM 1833 N THR B 7 3.283 3.249 11.528 1.00 0.00 N ATOM 1834 CA THR B 7 1.875 3.514 11.791 1.00 0.00 C ATOM 1835 C THR B 7 1.040 3.359 10.524 1.00 0.00 C ATOM 1836 O THR B 7 1.189 4.127 9.573 1.00 0.00 O ATOM 1837 CB THR B 7 1.666 4.931 12.359 1.00 0.00 C ATOM 1838 OG1 THR B 7 2.352 5.062 13.609 1.00 0.00 O ATOM 1839 CG2 THR B 7 0.186 5.224 12.553 1.00 0.00 C ATOM 0 H THR B 7 3.805 4.052 11.177 1.00 0.00 H new ATOM 0 HA THR B 7 1.549 2.782 12.530 1.00 0.00 H new ATOM 0 HB THR B 7 2.071 5.649 11.645 1.00 0.00 H new ATOM 0 HG1 THR B 7 3.308 5.201 13.444 1.00 0.00 H new ATOM 0 HG21 THR B 7 0.064 6.230 12.955 1.00 0.00 H new ATOM 0 HG22 THR B 7 -0.328 5.151 11.595 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.240 4.501 13.249 1.00 0.00 H new HETATM 1847 N PTR B 8 0.162 2.363 10.518 1.00 0.00 N HETATM 1848 CA PTR B 8 -0.695 2.107 9.367 1.00 0.00 C HETATM 1849 C PTR B 8 -1.902 3.041 9.367 1.00 0.00 C HETATM 1850 O PTR B 8 -2.013 3.930 10.212 1.00 0.00 O HETATM 1851 CB PTR B 8 -1.164 0.651 9.368 1.00 0.00 C HETATM 1852 CG PTR B 8 -0.051 -0.343 9.120 1.00 0.00 C HETATM 1853 CD1 PTR B 8 -0.062 -1.163 7.999 1.00 0.00 C HETATM 1854 CD2 PTR B 8 1.010 -0.463 10.009 1.00 0.00 C HETATM 1855 CE1 PTR B 8 0.952 -2.073 7.769 1.00 0.00 C HETATM 1856 CE2 PTR B 8 2.030 -1.369 9.787 1.00 0.00 C HETATM 1857 CZ PTR B 8 1.995 -2.172 8.666 1.00 0.00 C HETATM 1858 OH PTR B 8 3.008 -3.076 8.441 1.00 0.00 O HETATM 1859 P PTR B 8 4.544 -2.848 8.824 1.00 0.00 P HETATM 1860 O1P PTR B 8 4.825 -1.400 8.949 1.00 0.00 O HETATM 1861 O2P PTR B 8 4.848 -3.508 10.113 1.00 0.00 O HETATM 1862 O3P PTR B 8 5.418 -3.418 7.774 1.00 0.00 O HETATM 0 HE2 PTR B 8 2.857 -1.448 10.493 1.00 0.00 H new HETATM 0 HE1 PTR B 8 0.928 -2.709 6.884 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.039 0.168 10.897 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.885 -1.087 7.288 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.631 0.429 10.327 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.930 0.524 8.603 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.113 2.295 8.465 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.806 2.831 8.416 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.005 3.650 8.307 1.00 0.00 C ATOM 1873 C ALA B 9 -5.261 2.785 8.284 1.00 0.00 C ATOM 1874 O ALA B 9 -5.719 2.370 7.220 1.00 0.00 O ATOM 1875 CB ALA B 9 -3.939 4.521 7.060 1.00 0.00 C ATOM 0 H ALA B 9 -2.730 2.099 7.709 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.055 4.294 9.185 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.842 5.128 6.992 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.067 5.173 7.117 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.860 3.887 6.177 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.811 2.518 9.464 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.013 1.700 9.578 1.00 0.00 C ATOM 1883 C GLU B 10 -7.983 1.997 8.437 1.00 0.00 C ATOM 1884 O GLU B 10 -7.952 3.077 7.846 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.699 1.947 10.923 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.798 3.416 11.295 1.00 0.00 C ATOM 1887 CD GLU B 10 -7.986 3.629 12.785 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -7.024 3.387 13.544 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -9.093 4.039 13.191 1.00 0.00 O ATOM 0 H GLU B 10 -5.444 2.856 10.354 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.717 0.653 9.517 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.701 1.520 10.894 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.150 1.419 11.703 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -6.894 3.931 10.969 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.633 3.867 10.759 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.843 1.031 8.133 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.822 1.187 7.064 1.00 0.00 C ATOM 1898 C LEU B 11 -11.241 1.011 7.594 1.00 0.00 C ATOM 1899 O LEU B 11 -11.441 0.559 8.721 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.553 0.176 5.948 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.181 0.264 5.278 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.085 -0.725 4.127 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -7.916 1.681 4.791 1.00 0.00 C ATOM 0 H LEU B 11 -8.882 0.131 8.612 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.727 2.196 6.663 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.671 -0.827 6.358 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.318 0.299 5.181 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.420 0.006 6.015 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.102 -0.648 3.662 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.230 -1.737 4.504 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.854 -0.499 3.388 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -6.935 1.725 4.317 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.681 1.967 4.069 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -7.941 2.367 5.637 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.224 1.368 6.773 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.624 1.247 7.159 1.00 0.00 C ATOM 1917 C ASN B 12 -14.250 -0.006 6.553 1.00 0.00 C ATOM 1918 O ASN B 12 -13.939 -0.383 5.423 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.405 2.486 6.717 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.894 2.219 6.596 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.571 1.954 7.589 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.409 2.289 5.374 1.00 0.00 N ATOM 0 H ASN B 12 -12.076 1.743 5.836 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.670 1.165 8.245 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.240 3.291 7.433 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.021 2.831 5.757 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.404 2.120 5.230 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.809 2.512 4.580 1.00 0.00 H new ATOM 1929 N LEU B 13 -15.134 -0.644 7.312 1.00 0.00 N ATOM 1930 CA LEU B 13 -15.805 -1.854 6.850 1.00 0.00 C ATOM 1931 C LEU B 13 -17.165 -1.526 6.243 1.00 0.00 C ATOM 1932 O LEU B 13 -17.617 -0.382 6.293 1.00 0.00 O ATOM 1933 CB LEU B 13 -15.975 -2.841 8.008 1.00 0.00 C ATOM 1934 CG LEU B 13 -14.712 -3.578 8.452 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.746 -2.621 9.133 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -15.067 -4.730 9.380 1.00 0.00 C ATOM 0 H LEU B 13 -15.403 -0.344 8.249 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.185 -2.311 6.079 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -16.376 -2.299 8.865 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -16.722 -3.581 7.721 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.223 -3.986 7.568 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.853 -3.164 9.442 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.467 -1.830 8.437 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -14.225 -2.182 10.008 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.156 -5.244 9.687 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -15.579 -4.343 10.261 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.720 -5.429 8.858 1.00 0.00 H new ATOM 1948 N GLN B 14 -17.813 -2.536 5.672 1.00 0.00 N ATOM 1949 CA GLN B 14 -19.122 -2.353 5.057 1.00 0.00 C ATOM 1950 C GLN B 14 -20.035 -1.527 5.956 1.00 0.00 C ATOM 1951 O GLN B 14 -20.702 -0.598 5.497 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.765 -3.710 4.765 1.00 0.00 C ATOM 1953 CG GLN B 14 -19.902 -4.594 5.993 1.00 0.00 C ATOM 1954 CD GLN B 14 -20.376 -5.995 5.653 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -20.349 -6.407 4.494 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -20.812 -6.734 6.666 1.00 0.00 N ATOM 0 H GLN B 14 -17.453 -3.489 5.622 1.00 0.00 H new ATOM 0 HA GLN B 14 -18.983 -1.815 4.119 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -20.752 -3.549 4.331 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -19.169 -4.232 4.016 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -18.940 -4.653 6.503 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -20.604 -4.136 6.690 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -20.817 -6.351 7.612 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -21.142 -7.684 6.499 1.00 0.00 H new ATOM 1965 N LYS B 15 -20.062 -1.869 7.240 1.00 0.00 N ATOM 1966 CA LYS B 15 -20.892 -1.159 8.204 1.00 0.00 C ATOM 1967 C LYS B 15 -20.756 0.350 8.033 1.00 0.00 C ATOM 1968 O LYS B 15 -21.408 1.125 8.733 1.00 0.00 O ATOM 1969 CB LYS B 15 -20.507 -1.558 9.630 1.00 0.00 C ATOM 1970 CG LYS B 15 -20.739 -3.028 9.935 1.00 0.00 C ATOM 1971 CD LYS B 15 -19.798 -3.528 11.019 1.00 0.00 C ATOM 1972 CE LYS B 15 -18.471 -3.990 10.437 1.00 0.00 C ATOM 1973 NZ LYS B 15 -18.551 -5.379 9.907 1.00 0.00 N ATOM 0 H LYS B 15 -19.517 -2.635 7.637 1.00 0.00 H new ATOM 0 HA LYS B 15 -21.931 -1.435 8.024 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -19.455 -1.324 9.792 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -21.080 -0.955 10.334 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -21.771 -3.176 10.251 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -20.596 -3.616 9.028 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -19.621 -2.733 11.744 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -20.267 -4.352 11.557 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -18.170 -3.313 9.637 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -17.700 -3.939 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -17.597 -5.791 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -19.151 -5.955 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -18.961 -5.363 8.951 1.00 0.00 H new TER 1987 LYS B 15