USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ -129:sc= -2.84! (180deg=-0.376) USER MOD Set 1.2: B 609 GLN : amide:sc= -9.29! C(o=-12!,f=-20!) USER MOD Set 2.1: A 81 ASN : amide:sc= -7.79! C(o=-13!,f=-5.8!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -5.11! K(o=-13!,f=-5.8) USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 1.05 USER MOD Set 3.2: A 66 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.00402) USER MOD Set 4.1: A 39 SER OG : rot 77:sc= -0.805 USER MOD Set 4.2: A 110 SER OG : rot 160:sc= -0.268 USER MOD Single : A 0 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.0029) USER MOD Single : A 0 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.567 (180deg=-2.36!) USER MOD Single : A 2 LYS NZ :NH3+ -152:sc= -0.474 (180deg=-1.45!) USER MOD Single : A 3 SER OG : rot -172:sc= -1.49 USER MOD Single : A 4 THR OG1 : rot -65:sc= -4.15 USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= -10.6! (180deg=-13!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 27:sc= -3.35! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= -0.0259 (180deg=-0.0259) USER MOD Single : A 18 SER OG : rot -142:sc= 1.07 USER MOD Single : A 27 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.23) USER MOD Single : A 33 CYS SG : rot 112:sc= -1.16 USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= -0.572 (180deg=-1.92!) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.127 (180deg=-0.8) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -1.17 (180deg=-1.74!) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.991 (180deg=-1.79!) USER MOD Single : A 49 TYR OH : rot 180:sc= -4.31! USER MOD Single : A 56 THR OG1 : rot 123:sc= -0.313 USER MOD Single : A 59 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.024) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0399 (180deg=-0.333) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 155:sc= 0.0568 USER MOD Single : A 96 GLN : amide:sc= -2.82! C(o=-2.8!,f=-5.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.092 (180deg=-0.489) USER MOD Single : A 106 TYR OH : rot 107:sc= -0.914 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.33! USER MOD Single : A 109 TYR OH : rot 180:sc= -1.71 USER MOD Single : A 113 ASN : amide:sc= -2.48! C(o=-2.5!,f=-1.3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : B 599 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : B 600 MET CE :methyl 144:sc= -0.638 (180deg=-2.29!) USER MOD Single : B 602 SER OG : rot -1:sc= 0.302 USER MOD Single : B 605 SER OG : rot 33:sc= 0.553 USER MOD Single : B 608 LYS NZ :NH3+ -160:sc= -0.517 (180deg=-1.24) USER MOD Single : B 616 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.5!) USER MOD Single : B 626 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -19.942 -12.259 4.920 1.00 1.12 N ATOM 2 CA HIS A 0 -18.764 -11.802 5.637 1.00 61.45 C ATOM 3 C HIS A 0 -17.876 -10.984 4.696 1.00 35.31 C ATOM 4 O HIS A 0 -17.453 -11.475 3.651 1.00 72.51 O ATOM 5 CB HIS A 0 -18.023 -12.981 6.272 1.00 53.13 C ATOM 6 CG HIS A 0 -18.729 -13.576 7.469 1.00 32.11 C ATOM 7 ND1 HIS A 0 -18.935 -14.936 7.617 1.00 32.05 N ATOM 8 CD2 HIS A 0 -19.273 -12.981 8.569 1.00 50.51 C ATOM 9 CE1 HIS A 0 -19.576 -15.139 8.759 1.00 52.22 C ATOM 10 NE2 HIS A 0 -19.784 -13.928 9.347 1.00 53.24 N ATOM 0 H1 HIS A 0 -20.544 -12.815 5.560 1.00 1.12 H new ATOM 0 H2 HIS A 0 -20.475 -11.438 4.569 1.00 1.12 H new ATOM 0 H3 HIS A 0 -19.651 -12.852 4.117 1.00 1.12 H new ATOM 0 HA HIS A 0 -19.064 -11.150 6.458 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -17.886 -13.758 5.520 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -17.029 -12.652 6.575 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -19.286 -11.920 8.773 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -19.880 -16.097 9.154 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -20.255 -13.774 10.239 1.00 53.24 H new ATOM 19 N MET A 1 -17.621 -9.748 5.103 1.00 60.44 N ATOM 20 CA MET A 1 -16.792 -8.856 4.309 1.00 22.32 C ATOM 21 C MET A 1 -15.363 -9.392 4.196 1.00 4.00 C ATOM 22 O MET A 1 -15.055 -10.463 4.714 1.00 44.45 O ATOM 23 CB MET A 1 -16.768 -7.471 4.960 1.00 71.22 C ATOM 24 CG MET A 1 -15.719 -7.406 6.073 1.00 15.14 C ATOM 25 SD MET A 1 -16.232 -6.242 7.324 1.00 51.34 S ATOM 26 CE MET A 1 -17.793 -6.964 7.799 1.00 14.51 C ATOM 0 H MET A 1 -17.973 -9.344 5.971 1.00 60.44 H new ATOM 0 HA MET A 1 -17.215 -8.790 3.307 1.00 22.32 H new ATOM 0 HB2 MET A 1 -16.551 -6.715 4.206 1.00 71.22 H new ATOM 0 HB3 MET A 1 -17.752 -7.240 5.369 1.00 71.22 H new ATOM 0 HG2 MET A 1 -15.584 -8.393 6.516 1.00 15.14 H new ATOM 0 HG3 MET A 1 -14.756 -7.108 5.660 1.00 15.14 H new ATOM 0 HE1 MET A 1 -17.961 -6.799 8.863 1.00 14.51 H new ATOM 0 HE2 MET A 1 -18.597 -6.500 7.228 1.00 14.51 H new ATOM 0 HE3 MET A 1 -17.775 -8.035 7.596 1.00 14.51 H new ATOM 36 N LYS A 2 -14.529 -8.623 3.512 1.00 62.51 N ATOM 37 CA LYS A 2 -13.142 -9.006 3.322 1.00 10.34 C ATOM 38 C LYS A 2 -12.243 -7.790 3.558 1.00 43.14 C ATOM 39 O LYS A 2 -11.249 -7.877 4.276 1.00 64.10 O ATOM 40 CB LYS A 2 -12.947 -9.657 1.951 1.00 5.43 C ATOM 41 CG LYS A 2 -13.929 -10.814 1.751 1.00 43.31 C ATOM 42 CD LYS A 2 -13.359 -11.857 0.787 1.00 21.51 C ATOM 43 CE LYS A 2 -12.900 -11.204 -0.519 1.00 53.32 C ATOM 44 NZ LYS A 2 -13.777 -11.615 -1.638 1.00 45.41 N ATOM 0 H LYS A 2 -14.788 -7.735 3.082 1.00 62.51 H new ATOM 0 HA LYS A 2 -12.854 -9.762 4.052 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -13.091 -8.913 1.167 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -11.924 -10.023 1.860 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -14.146 -11.282 2.711 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -14.873 -10.432 1.362 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -12.519 -12.370 1.256 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -14.115 -12.612 0.574 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -12.916 -10.119 -0.416 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -11.870 -11.489 -0.733 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -13.240 -11.588 -2.528 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -14.122 -12.582 -1.472 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -14.586 -10.965 -1.702 1.00 45.41 H new ATOM 58 N SER A 3 -12.627 -6.682 2.940 1.00 55.01 N ATOM 59 CA SER A 3 -11.869 -5.450 3.073 1.00 1.34 C ATOM 60 C SER A 3 -12.167 -4.797 4.423 1.00 53.21 C ATOM 61 O SER A 3 -13.324 -4.540 4.752 1.00 52.14 O ATOM 62 CB SER A 3 -12.189 -4.481 1.932 1.00 61.21 C ATOM 63 OG SER A 3 -11.563 -3.214 2.117 1.00 4.25 O ATOM 0 H SER A 3 -13.453 -6.612 2.346 1.00 55.01 H new ATOM 0 HA SER A 3 -10.808 -5.693 3.020 1.00 1.34 H new ATOM 0 HB2 SER A 3 -11.861 -4.913 0.987 1.00 61.21 H new ATOM 0 HB3 SER A 3 -13.268 -4.346 1.863 1.00 61.21 H new ATOM 0 HG SER A 3 -11.890 -2.586 1.440 1.00 4.25 H new ATOM 69 N THR A 4 -11.101 -4.546 5.171 1.00 53.15 N ATOM 70 CA THR A 4 -11.234 -3.927 6.478 1.00 1.20 C ATOM 71 C THR A 4 -10.402 -2.644 6.549 1.00 34.02 C ATOM 72 O THR A 4 -10.938 -1.567 6.806 1.00 52.13 O ATOM 73 CB THR A 4 -10.841 -4.963 7.533 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.416 -4.968 7.503 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.228 -6.387 7.128 1.00 74.44 C ATOM 0 H THR A 4 -10.142 -4.760 4.896 1.00 53.15 H new ATOM 0 HA THR A 4 -12.263 -3.621 6.667 1.00 1.20 H new ATOM 0 HB THR A 4 -11.317 -4.713 8.481 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.108 -5.298 6.633 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.927 -7.083 7.911 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.307 -6.445 6.987 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.726 -6.650 6.197 1.00 74.44 H new ATOM 83 N PHE A 5 -9.109 -2.803 6.314 1.00 11.00 N ATOM 84 CA PHE A 5 -8.199 -1.670 6.346 1.00 22.31 C ATOM 85 C PHE A 5 -8.413 -0.758 5.136 1.00 41.51 C ATOM 86 O PHE A 5 -8.216 0.453 5.223 1.00 44.32 O ATOM 87 CB PHE A 5 -6.779 -2.236 6.299 1.00 64.21 C ATOM 88 CG PHE A 5 -5.693 -1.178 6.089 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.250 -0.441 7.142 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.173 -0.974 4.850 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.243 0.541 6.947 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.166 0.008 4.655 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.722 0.744 5.708 1.00 2.25 C ATOM 0 H PHE A 5 -8.669 -3.698 6.101 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.372 -1.080 7.246 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.580 -2.767 7.230 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.718 -2.969 5.495 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.664 -0.602 8.126 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.526 -1.559 4.013 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -3.891 1.127 7.783 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.753 0.170 3.670 1.00 33.11 H new ATOM 0 HZ PHE A 5 -2.955 1.490 5.560 1.00 2.25 H new ATOM 103 N LYS A 6 -8.813 -1.376 4.034 1.00 54.43 N ATOM 104 CA LYS A 6 -9.056 -0.637 2.807 1.00 61.10 C ATOM 105 C LYS A 6 -10.441 0.013 2.874 1.00 23.11 C ATOM 106 O LYS A 6 -10.574 1.219 2.676 1.00 53.24 O ATOM 107 CB LYS A 6 -8.859 -1.540 1.589 1.00 72.11 C ATOM 108 CG LYS A 6 -8.821 -0.719 0.298 1.00 41.42 C ATOM 109 CD LYS A 6 -7.589 0.186 0.260 1.00 55.05 C ATOM 110 CE LYS A 6 -6.362 -0.534 0.824 1.00 11.24 C ATOM 111 NZ LYS A 6 -6.211 -1.868 0.199 1.00 41.43 N ATOM 0 H LYS A 6 -8.975 -2.381 3.966 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.330 0.169 2.698 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.931 -2.102 1.695 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.668 -2.268 1.537 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.812 -1.388 -0.562 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -9.724 -0.113 0.221 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -7.393 0.497 -0.766 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -7.780 1.091 0.836 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -5.468 0.062 0.643 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -6.460 -0.641 1.904 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -5.759 -2.518 0.873 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -7.148 -2.237 -0.063 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -5.620 -1.787 -0.653 1.00 41.43 H new ATOM 125 N SER A 7 -11.435 -0.817 3.154 1.00 32.24 N ATOM 126 CA SER A 7 -12.804 -0.340 3.250 1.00 10.10 C ATOM 127 C SER A 7 -12.910 0.726 4.343 1.00 13.42 C ATOM 128 O SER A 7 -13.897 1.457 4.408 1.00 63.35 O ATOM 129 CB SER A 7 -13.771 -1.491 3.534 1.00 44.33 C ATOM 130 OG SER A 7 -15.129 -1.062 3.518 1.00 52.21 O ATOM 0 H SER A 7 -11.319 -1.817 3.318 1.00 32.24 H new ATOM 0 HA SER A 7 -13.081 0.101 2.292 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.630 -2.275 2.790 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.540 -1.928 4.506 1.00 44.33 H new ATOM 0 HG SER A 7 -15.715 -1.825 3.702 1.00 52.21 H new ATOM 136 N GLU A 8 -11.882 0.779 5.176 1.00 33.03 N ATOM 137 CA GLU A 8 -11.849 1.743 6.263 1.00 53.01 C ATOM 138 C GLU A 8 -12.046 3.159 5.723 1.00 75.05 C ATOM 139 O GLU A 8 -12.840 3.929 6.264 1.00 11.10 O ATOM 140 CB GLU A 8 -10.540 1.633 7.051 1.00 50.33 C ATOM 141 CG GLU A 8 -10.594 2.486 8.321 1.00 33.05 C ATOM 142 CD GLU A 8 -9.208 3.026 8.677 1.00 44.11 C ATOM 143 OE1 GLU A 8 -9.088 4.172 9.136 1.00 71.32 O ATOM 144 OE2 GLU A 8 -8.233 2.209 8.463 1.00 31.12 O ATOM 0 H GLU A 8 -11.065 0.170 5.121 1.00 33.03 H new ATOM 0 HA GLU A 8 -12.668 1.520 6.947 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.356 0.592 7.315 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -9.707 1.955 6.427 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.286 3.316 8.177 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -10.979 1.890 9.148 1.00 33.05 H new ATOM 152 N TYR A 9 -11.310 3.464 4.663 1.00 11.51 N ATOM 153 CA TYR A 9 -11.396 4.775 4.045 1.00 34.03 C ATOM 154 C TYR A 9 -11.487 4.657 2.522 1.00 13.04 C ATOM 155 O TYR A 9 -11.249 3.588 1.963 1.00 20.14 O ATOM 156 CB TYR A 9 -10.100 5.499 4.411 1.00 23.45 C ATOM 157 CG TYR A 9 -8.871 4.589 4.462 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.610 3.844 5.593 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.023 4.514 3.376 1.00 32.35 C ATOM 160 CE1 TYR A 9 -7.454 2.986 5.641 1.00 14.01 C ATOM 161 CE2 TYR A 9 -6.866 3.658 3.423 1.00 14.04 C ATOM 162 CZ TYR A 9 -6.639 2.936 4.552 1.00 24.23 C ATOM 163 OH TYR A 9 -5.547 2.126 4.598 1.00 62.13 O ATOM 0 H TYR A 9 -10.652 2.825 4.217 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.283 5.305 4.391 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -9.922 6.292 3.685 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.225 5.978 5.382 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.273 3.904 6.443 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.227 5.098 2.490 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -7.239 2.396 6.520 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.194 3.591 2.580 1.00 14.04 H new ATOM 0 HH TYR A 9 -5.715 1.385 5.217 1.00 62.13 H new ATOM 173 N PRO A 10 -11.841 5.802 1.877 1.00 21.33 N ATOM 174 CA PRO A 10 -11.967 5.838 0.430 1.00 5.43 C ATOM 175 C PRO A 10 -10.591 5.845 -0.240 1.00 23.30 C ATOM 176 O PRO A 10 -9.566 5.797 0.439 1.00 24.20 O ATOM 177 CB PRO A 10 -12.778 7.089 0.136 1.00 2.54 C ATOM 178 CG PRO A 10 -12.679 7.952 1.383 1.00 23.32 C ATOM 179 CD PRO A 10 -12.131 7.087 2.506 1.00 44.44 C ATOM 0 HA PRO A 10 -12.464 4.955 0.029 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.385 7.614 -0.735 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.816 6.839 -0.085 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.025 8.806 1.205 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.658 8.350 1.651 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.234 7.526 2.942 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -12.857 6.978 3.312 1.00 44.44 H new ATOM 187 N PHE A 11 -10.613 5.905 -1.563 1.00 12.11 N ATOM 188 CA PHE A 11 -9.380 5.919 -2.332 1.00 25.15 C ATOM 189 C PHE A 11 -8.613 7.226 -2.112 1.00 3.34 C ATOM 190 O PHE A 11 -7.409 7.208 -1.859 1.00 13.02 O ATOM 191 CB PHE A 11 -9.771 5.814 -3.807 1.00 73.12 C ATOM 192 CG PHE A 11 -8.672 6.252 -4.777 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.528 7.569 -5.091 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.839 5.329 -5.323 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.508 7.976 -5.990 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.818 5.735 -6.222 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.674 7.051 -6.537 1.00 72.02 C ATOM 0 H PHE A 11 -11.465 5.944 -2.122 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.738 5.094 -2.022 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.045 4.782 -4.027 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.658 6.423 -3.981 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.190 8.304 -4.656 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.953 4.285 -5.073 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.394 9.020 -6.240 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -6.156 5.000 -6.656 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.898 7.361 -7.221 1.00 72.02 H new ATOM 207 N GLU A 12 -9.341 8.327 -2.220 1.00 32.21 N ATOM 208 CA GLU A 12 -8.745 9.640 -2.036 1.00 43.50 C ATOM 209 C GLU A 12 -7.999 9.702 -0.701 1.00 41.32 C ATOM 210 O GLU A 12 -7.147 10.566 -0.502 1.00 72.13 O ATOM 211 CB GLU A 12 -9.803 10.740 -2.124 1.00 61.12 C ATOM 212 CG GLU A 12 -9.876 11.318 -3.539 1.00 72.25 C ATOM 213 CD GLU A 12 -10.956 12.398 -3.636 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.135 12.078 -3.850 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.535 13.607 -3.477 1.00 20.32 O ATOM 0 H GLU A 12 -10.339 8.338 -2.433 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.027 9.807 -2.839 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.776 10.338 -1.841 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.568 11.534 -1.415 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.909 11.740 -3.813 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.089 10.521 -4.251 1.00 72.25 H new ATOM 223 N LYS A 13 -8.347 8.774 0.178 1.00 5.43 N ATOM 224 CA LYS A 13 -7.720 8.712 1.488 1.00 64.41 C ATOM 225 C LYS A 13 -6.537 7.744 1.439 1.00 40.34 C ATOM 226 O LYS A 13 -5.429 8.091 1.844 1.00 3.22 O ATOM 227 CB LYS A 13 -8.755 8.364 2.561 1.00 65.01 C ATOM 228 CG LYS A 13 -8.076 8.041 3.893 1.00 14.12 C ATOM 229 CD LYS A 13 -7.385 9.277 4.471 1.00 72.31 C ATOM 230 CE LYS A 13 -8.411 10.306 4.948 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.537 11.407 3.967 1.00 34.20 N ATOM 0 H LYS A 13 -9.055 8.059 0.009 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.321 9.688 1.765 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.443 9.199 2.692 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.349 7.510 2.235 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.816 7.669 4.602 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.345 7.245 3.749 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -6.745 8.984 5.303 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -6.740 9.725 3.715 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.379 9.825 5.089 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -8.110 10.706 5.916 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.437 12.320 4.455 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.793 11.317 3.246 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -9.470 11.359 3.509 1.00 34.20 H new ATOM 245 N ARG A 14 -6.811 6.549 0.938 1.00 61.35 N ATOM 246 CA ARG A 14 -5.783 5.528 0.830 1.00 70.54 C ATOM 247 C ARG A 14 -4.651 6.011 -0.079 1.00 72.40 C ATOM 248 O ARG A 14 -3.536 5.493 -0.014 1.00 21.25 O ATOM 249 CB ARG A 14 -6.357 4.226 0.269 1.00 65.45 C ATOM 250 CG ARG A 14 -6.330 4.227 -1.261 1.00 13.40 C ATOM 251 CD ARG A 14 -7.015 2.980 -1.823 1.00 22.22 C ATOM 252 NE ARG A 14 -8.406 2.897 -1.323 1.00 41.21 N ATOM 253 CZ ARG A 14 -9.271 1.914 -1.651 1.00 43.14 C ATOM 254 NH1 ARG A 14 -8.895 0.920 -2.483 1.00 33.03 N ATOM 255 NH2 ARG A 14 -10.490 1.941 -1.145 1.00 2.22 N ATOM 0 H ARG A 14 -7.731 6.265 0.602 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.396 5.339 1.831 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.783 3.380 0.646 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -7.382 4.096 0.618 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.829 5.120 -1.636 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.298 4.268 -1.610 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.013 3.014 -2.912 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -6.461 2.088 -1.531 1.00 22.22 H new ATOM 0 HE ARG A 14 -8.731 3.629 -0.691 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -7.951 0.908 -2.869 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -9.555 0.181 -2.726 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -10.765 2.696 -0.517 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -11.157 1.206 -1.382 1.00 2.22 H new ATOM 269 N LYS A 15 -4.974 6.996 -0.903 1.00 2.20 N ATOM 270 CA LYS A 15 -3.997 7.554 -1.822 1.00 31.35 C ATOM 271 C LYS A 15 -3.123 8.564 -1.079 1.00 5.31 C ATOM 272 O LYS A 15 -1.905 8.587 -1.257 1.00 31.23 O ATOM 273 CB LYS A 15 -4.693 8.131 -3.057 1.00 63.02 C ATOM 274 CG LYS A 15 -5.050 9.605 -2.846 1.00 33.43 C ATOM 275 CD LYS A 15 -5.782 10.171 -4.064 1.00 1.00 C ATOM 276 CE LYS A 15 -6.200 11.622 -3.825 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.622 12.256 -5.094 1.00 61.42 N ATOM 0 H LYS A 15 -5.899 7.422 -0.954 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.334 6.773 -2.194 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.042 8.031 -3.926 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.597 7.561 -3.269 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.677 9.708 -1.960 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.142 10.180 -2.663 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.136 10.114 -4.940 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.663 9.565 -4.278 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.017 11.657 -3.105 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.369 12.179 -3.392 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.903 13.241 -4.913 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.832 12.239 -5.770 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.429 11.734 -5.492 1.00 61.42 H new ATOM 291 N ALA A 16 -3.776 9.376 -0.262 1.00 43.45 N ATOM 292 CA ALA A 16 -3.074 10.388 0.509 1.00 33.41 C ATOM 293 C ALA A 16 -2.010 9.713 1.377 1.00 52.13 C ATOM 294 O ALA A 16 -1.030 10.345 1.767 1.00 11.03 O ATOM 295 CB ALA A 16 -4.080 11.190 1.337 1.00 50.03 C ATOM 0 H ALA A 16 -4.785 9.354 -0.117 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.565 11.090 -0.152 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.553 11.949 1.915 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.796 11.673 0.672 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.609 10.520 2.015 1.00 50.03 H new ATOM 301 N GLU A 17 -2.239 8.438 1.653 1.00 45.42 N ATOM 302 CA GLU A 17 -1.314 7.670 2.469 1.00 11.22 C ATOM 303 C GLU A 17 0.004 7.460 1.719 1.00 13.51 C ATOM 304 O GLU A 17 1.069 7.831 2.211 1.00 44.12 O ATOM 305 CB GLU A 17 -1.927 6.332 2.885 1.00 32.21 C ATOM 306 CG GLU A 17 -1.344 5.851 4.214 1.00 41.44 C ATOM 307 CD GLU A 17 -1.815 6.733 5.372 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.952 7.227 5.351 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.953 6.897 6.319 1.00 63.21 O ATOM 0 H GLU A 17 -3.052 7.917 1.326 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.108 8.234 3.379 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.008 6.436 2.975 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -1.741 5.587 2.112 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.643 4.818 4.394 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.255 5.863 4.163 1.00 41.44 H new ATOM 317 N SER A 18 -0.111 6.863 0.542 1.00 32.43 N ATOM 318 CA SER A 18 1.057 6.599 -0.280 1.00 63.41 C ATOM 319 C SER A 18 1.777 7.910 -0.605 1.00 73.40 C ATOM 320 O SER A 18 2.929 7.900 -1.035 1.00 73.04 O ATOM 321 CB SER A 18 0.670 5.873 -1.570 1.00 72.20 C ATOM 322 OG SER A 18 0.163 6.770 -2.556 1.00 23.24 O ATOM 0 H SER A 18 -0.995 6.555 0.138 1.00 32.43 H new ATOM 0 HA SER A 18 1.730 5.952 0.282 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.541 5.351 -1.968 1.00 72.20 H new ATOM 0 HB3 SER A 18 -0.082 5.115 -1.348 1.00 72.20 H new ATOM 0 HG SER A 18 -0.570 6.340 -3.044 1.00 23.24 H new ATOM 328 N GLU A 19 1.067 9.007 -0.386 1.00 72.31 N ATOM 329 CA GLU A 19 1.624 10.324 -0.648 1.00 1.34 C ATOM 330 C GLU A 19 2.534 10.755 0.502 1.00 3.30 C ATOM 331 O GLU A 19 3.439 11.565 0.312 1.00 22.02 O ATOM 332 CB GLU A 19 0.514 11.350 -0.886 1.00 51.31 C ATOM 333 CG GLU A 19 -0.352 10.954 -2.083 1.00 25.43 C ATOM 334 CD GLU A 19 -0.484 12.114 -3.073 1.00 10.12 C ATOM 335 OE1 GLU A 19 -1.605 12.545 -3.378 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.634 12.571 -3.528 1.00 13.54 O ATOM 0 H GLU A 19 0.111 9.011 -0.030 1.00 72.31 H new ATOM 0 HA GLU A 19 2.224 10.270 -1.556 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.108 11.432 0.006 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.953 12.332 -1.060 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.087 10.092 -2.584 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.341 10.652 -1.737 1.00 25.43 H new ATOM 344 N ARG A 20 2.261 10.194 1.672 1.00 64.42 N ATOM 345 CA ARG A 20 3.044 10.512 2.854 1.00 61.32 C ATOM 346 C ARG A 20 4.044 9.390 3.145 1.00 72.54 C ATOM 347 O ARG A 20 5.083 9.624 3.759 1.00 12.42 O ATOM 348 CB ARG A 20 2.142 10.712 4.074 1.00 21.21 C ATOM 349 CG ARG A 20 1.181 9.535 4.245 1.00 4.23 C ATOM 350 CD ARG A 20 0.471 9.597 5.599 1.00 54.55 C ATOM 351 NE ARG A 20 1.426 9.282 6.685 1.00 51.32 N ATOM 352 CZ ARG A 20 1.073 9.110 7.977 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.219 9.222 8.354 1.00 61.44 N ATOM 354 NH2 ARG A 20 2.008 8.831 8.864 1.00 74.03 N ATOM 0 H ARG A 20 1.509 9.522 1.826 1.00 64.42 H new ATOM 0 HA ARG A 20 3.581 11.440 2.658 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.754 10.819 4.969 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.575 11.636 3.963 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.443 9.544 3.443 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.731 8.597 4.161 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.048 10.590 5.752 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.359 8.890 5.617 1.00 54.55 H new ATOM 0 HE ARG A 20 2.412 9.189 6.442 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.936 9.438 7.661 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.478 9.091 9.332 1.00 61.44 H new ATOM 0 HH21 ARG A 20 2.981 8.748 8.570 1.00 74.03 H new ATOM 0 HH22 ARG A 20 1.758 8.698 9.844 1.00 74.03 H new ATOM 368 N ILE A 21 3.693 8.195 2.692 1.00 62.20 N ATOM 369 CA ILE A 21 4.546 7.037 2.897 1.00 14.54 C ATOM 370 C ILE A 21 5.870 7.248 2.161 1.00 33.24 C ATOM 371 O ILE A 21 6.878 6.629 2.498 1.00 12.23 O ATOM 372 CB ILE A 21 3.815 5.756 2.490 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.853 5.302 3.591 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.808 4.656 2.108 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.878 4.246 3.064 1.00 64.42 C ATOM 0 H ILE A 21 2.829 8.004 2.184 1.00 62.20 H new ATOM 0 HA ILE A 21 4.783 6.921 3.954 1.00 14.54 H new ATOM 0 HB ILE A 21 3.216 5.970 1.605 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.419 4.894 4.428 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.297 6.159 3.970 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.263 3.756 1.823 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.418 4.992 1.269 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.452 4.435 2.959 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.205 3.940 3.865 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.297 4.665 2.243 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.437 3.380 2.709 1.00 64.42 H new ATOM 387 N ALA A 22 5.826 8.127 1.169 1.00 53.32 N ATOM 388 CA ALA A 22 7.011 8.428 0.382 1.00 24.25 C ATOM 389 C ALA A 22 7.961 9.294 1.211 1.00 24.12 C ATOM 390 O ALA A 22 9.149 9.386 0.907 1.00 11.34 O ATOM 391 CB ALA A 22 6.597 9.103 -0.927 1.00 5.11 C ATOM 0 H ALA A 22 4.989 8.640 0.893 1.00 53.32 H new ATOM 0 HA ALA A 22 7.542 7.513 0.122 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.485 9.329 -1.517 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.947 8.434 -1.491 1.00 5.11 H new ATOM 0 HB3 ALA A 22 6.063 10.028 -0.707 1.00 5.11 H new ATOM 397 N ASP A 23 7.401 9.909 2.243 1.00 25.10 N ATOM 398 CA ASP A 23 8.184 10.765 3.118 1.00 52.05 C ATOM 399 C ASP A 23 8.605 9.972 4.357 1.00 73.32 C ATOM 400 O ASP A 23 9.748 10.071 4.802 1.00 52.31 O ATOM 401 CB ASP A 23 7.365 11.971 3.585 1.00 42.33 C ATOM 402 CG ASP A 23 8.038 12.836 4.652 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.816 13.750 4.337 1.00 25.13 O ATOM 404 OD2 ASP A 23 7.734 12.535 5.869 1.00 10.42 O ATOM 0 H ASP A 23 6.415 9.831 2.492 1.00 25.10 H new ATOM 0 HA ASP A 23 9.053 11.113 2.560 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.141 12.596 2.720 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.412 11.614 3.976 1.00 42.33 H new ATOM 410 N ARG A 24 7.661 9.204 4.879 1.00 2.03 N ATOM 411 CA ARG A 24 7.921 8.395 6.058 1.00 72.20 C ATOM 412 C ARG A 24 8.882 7.254 5.718 1.00 42.41 C ATOM 413 O ARG A 24 9.896 7.071 6.389 1.00 42.21 O ATOM 414 CB ARG A 24 6.623 7.808 6.619 1.00 3.23 C ATOM 415 CG ARG A 24 6.108 8.644 7.792 1.00 41.44 C ATOM 416 CD ARG A 24 4.587 8.529 7.920 1.00 53.35 C ATOM 417 NE ARG A 24 4.235 7.337 8.723 1.00 3.11 N ATOM 418 CZ ARG A 24 4.482 7.214 10.044 1.00 64.41 C ATOM 419 NH1 ARG A 24 5.087 8.212 10.725 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.125 6.103 10.661 1.00 54.54 N ATOM 0 H ARG A 24 6.714 9.124 4.507 1.00 2.03 H new ATOM 0 HA ARG A 24 8.371 9.042 6.811 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.867 7.771 5.834 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.794 6.782 6.946 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.581 8.311 8.716 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.387 9.688 7.650 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.185 9.426 8.390 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.135 8.458 6.931 1.00 53.35 H new ATOM 0 HE ARG A 24 3.777 6.559 8.248 1.00 3.11 H new ATOM 0 HH11 ARG A 24 5.361 9.067 10.241 1.00 24.30 H new ATOM 0 HH12 ARG A 24 5.270 8.110 11.723 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.670 5.354 10.140 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.304 5.994 11.659 1.00 54.54 H new ATOM 434 N PHE A 25 8.530 6.518 4.673 1.00 64.32 N ATOM 435 CA PHE A 25 9.349 5.401 4.235 1.00 21.45 C ATOM 436 C PHE A 25 9.374 5.303 2.709 1.00 22.31 C ATOM 437 O PHE A 25 8.512 4.661 2.111 1.00 4.20 O ATOM 438 CB PHE A 25 8.716 4.131 4.807 1.00 21.33 C ATOM 439 CG PHE A 25 8.103 4.312 6.197 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.903 4.347 7.295 1.00 62.14 C ATOM 441 CD2 PHE A 25 6.755 4.438 6.333 1.00 31.32 C ATOM 442 CE1 PHE A 25 8.333 4.515 8.584 1.00 33.12 C ATOM 443 CE2 PHE A 25 6.185 4.606 7.623 1.00 64.13 C ATOM 444 CZ PHE A 25 6.987 4.641 8.721 1.00 35.34 C ATOM 0 H PHE A 25 7.689 6.674 4.118 1.00 64.32 H new ATOM 0 HA PHE A 25 10.375 5.535 4.579 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.942 3.783 4.123 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.474 3.349 4.855 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.973 4.247 7.187 1.00 62.14 H new ATOM 0 HD2 PHE A 25 6.119 4.410 5.461 1.00 31.32 H new ATOM 0 HE1 PHE A 25 8.969 4.543 9.456 1.00 33.12 H new ATOM 0 HE2 PHE A 25 5.115 4.706 7.732 1.00 64.13 H new ATOM 0 HZ PHE A 25 6.554 4.769 9.702 1.00 35.34 H new ATOM 454 N PRO A 26 10.394 5.969 2.106 1.00 41.11 N ATOM 455 CA PRO A 26 10.541 5.963 0.660 1.00 13.25 C ATOM 456 C PRO A 26 11.081 4.619 0.170 1.00 62.02 C ATOM 457 O PRO A 26 10.736 4.167 -0.921 1.00 74.20 O ATOM 458 CB PRO A 26 11.474 7.125 0.357 1.00 14.12 C ATOM 459 CG PRO A 26 12.180 7.447 1.662 1.00 11.53 C ATOM 460 CD PRO A 26 11.433 6.740 2.783 1.00 22.31 C ATOM 0 HA PRO A 26 9.591 6.084 0.139 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.191 6.857 -0.419 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.917 7.988 -0.008 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.218 7.116 1.626 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.195 8.523 1.833 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.097 6.093 3.355 1.00 22.31 H new ATOM 0 HD3 PRO A 26 11.002 7.455 3.484 1.00 22.31 H new ATOM 468 N ASN A 27 11.923 4.016 0.998 1.00 3.54 N ATOM 469 CA ASN A 27 12.513 2.733 0.662 1.00 53.31 C ATOM 470 C ASN A 27 11.625 1.610 1.201 1.00 42.04 C ATOM 471 O ASN A 27 12.123 0.608 1.712 1.00 41.30 O ATOM 472 CB ASN A 27 13.899 2.582 1.292 1.00 71.12 C ATOM 473 CG ASN A 27 14.936 3.421 0.543 1.00 53.14 C ATOM 474 OD1 ASN A 27 16.108 3.090 0.474 1.00 72.44 O ATOM 475 ND2 ASN A 27 14.441 4.524 -0.011 1.00 54.31 N ATOM 0 H ASN A 27 12.210 4.394 1.901 1.00 3.54 H new ATOM 0 HA ASN A 27 12.601 2.677 -0.423 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.863 2.890 2.337 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.196 1.533 1.279 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.053 5.152 -0.532 1.00 54.31 H new ATOM 0 HD22 ASN A 27 13.449 4.742 0.085 1.00 54.31 H new ATOM 482 N ARG A 28 10.322 1.814 1.070 1.00 14.04 N ATOM 483 CA ARG A 28 9.359 0.831 1.537 1.00 70.34 C ATOM 484 C ARG A 28 8.429 0.415 0.396 1.00 20.11 C ATOM 485 O ARG A 28 8.438 1.026 -0.671 1.00 11.54 O ATOM 486 CB ARG A 28 8.521 1.387 2.691 1.00 32.42 C ATOM 487 CG ARG A 28 9.196 1.115 4.038 1.00 75.13 C ATOM 488 CD ARG A 28 9.360 -0.389 4.275 1.00 41.41 C ATOM 489 NE ARG A 28 9.525 -0.658 5.720 1.00 33.42 N ATOM 490 CZ ARG A 28 9.240 -1.840 6.307 1.00 25.54 C ATOM 491 NH1 ARG A 28 8.774 -2.875 5.575 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.425 -1.970 7.608 1.00 71.52 N ATOM 0 H ARG A 28 9.911 2.646 0.647 1.00 14.04 H new ATOM 0 HA ARG A 28 9.916 -0.037 1.891 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.381 2.460 2.560 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.530 0.933 2.678 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.172 1.600 4.064 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.602 1.551 4.841 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.489 -0.923 3.894 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.226 -0.760 3.726 1.00 41.41 H new ATOM 0 HE ARG A 28 9.876 0.097 6.310 1.00 33.42 H new ATOM 0 HH11 ARG A 28 8.635 -2.767 4.570 1.00 25.31 H new ATOM 0 HH12 ARG A 28 8.561 -3.764 6.027 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.778 -1.184 8.154 1.00 71.52 H new ATOM 0 HH22 ARG A 28 9.215 -2.856 8.067 1.00 71.52 H new ATOM 506 N ILE A 29 7.649 -0.622 0.661 1.00 73.21 N ATOM 507 CA ILE A 29 6.714 -1.127 -0.331 1.00 73.02 C ATOM 508 C ILE A 29 5.349 -1.345 0.324 1.00 4.10 C ATOM 509 O ILE A 29 5.110 -2.385 0.938 1.00 71.12 O ATOM 510 CB ILE A 29 7.277 -2.379 -1.009 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.661 -2.106 -1.601 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.302 -2.921 -2.056 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.564 -1.181 -2.818 1.00 4.23 C ATOM 0 H ILE A 29 7.645 -1.126 1.547 1.00 73.21 H new ATOM 0 HA ILE A 29 6.573 -0.396 -1.127 1.00 73.02 H new ATOM 0 HB ILE A 29 7.398 -3.153 -0.251 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.301 -1.652 -0.845 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.129 -3.047 -1.891 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.726 -3.810 -2.522 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.358 -3.179 -1.575 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.126 -2.161 -2.817 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.561 -1.003 -3.220 1.00 4.23 H new ATOM 0 HD12 ILE A 29 7.943 -1.649 -3.582 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.118 -0.232 -2.519 1.00 4.23 H new ATOM 525 N PRO A 30 4.467 -0.322 0.170 1.00 11.44 N ATOM 526 CA PRO A 30 3.132 -0.391 0.740 1.00 41.20 C ATOM 527 C PRO A 30 2.238 -1.331 -0.071 1.00 64.02 C ATOM 528 O PRO A 30 1.796 -0.983 -1.166 1.00 31.24 O ATOM 529 CB PRO A 30 2.633 1.044 0.748 1.00 23.13 C ATOM 530 CG PRO A 30 3.512 1.797 -0.238 1.00 14.13 C ATOM 531 CD PRO A 30 4.716 0.924 -0.550 1.00 23.23 C ATOM 0 HA PRO A 30 3.126 -0.806 1.748 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.585 1.094 0.454 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.706 1.477 1.746 1.00 23.13 H new ATOM 0 HG2 PRO A 30 2.957 2.022 -1.149 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.831 2.750 0.185 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.812 0.750 -1.622 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.642 1.394 -0.220 1.00 23.23 H new ATOM 539 N VAL A 31 1.996 -2.503 0.496 1.00 35.55 N ATOM 540 CA VAL A 31 1.162 -3.495 -0.160 1.00 53.01 C ATOM 541 C VAL A 31 -0.058 -3.788 0.715 1.00 30.13 C ATOM 542 O VAL A 31 -0.117 -3.363 1.867 1.00 73.51 O ATOM 543 CB VAL A 31 1.985 -4.745 -0.476 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.445 -4.383 -0.759 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.884 -5.770 0.656 1.00 45.11 C ATOM 0 H VAL A 31 2.363 -2.788 1.404 1.00 35.55 H new ATOM 0 HA VAL A 31 0.795 -3.115 -1.113 1.00 53.01 H new ATOM 0 HB VAL A 31 1.571 -5.199 -1.376 1.00 32.41 H new ATOM 0 HG11 VAL A 31 4.008 -5.289 -0.981 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.493 -3.708 -1.613 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.875 -3.894 0.115 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.478 -6.649 0.405 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.259 -5.330 1.580 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.843 -6.063 0.790 1.00 45.11 H new ATOM 555 N ILE A 32 -1.002 -4.513 0.133 1.00 65.24 N ATOM 556 CA ILE A 32 -2.218 -4.868 0.846 1.00 51.12 C ATOM 557 C ILE A 32 -2.525 -6.349 0.614 1.00 43.11 C ATOM 558 O ILE A 32 -2.963 -6.735 -0.470 1.00 14.33 O ATOM 559 CB ILE A 32 -3.363 -3.934 0.450 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.905 -2.473 0.456 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.585 -4.155 1.344 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.932 -1.896 1.872 1.00 50.14 C ATOM 0 H ILE A 32 -0.950 -4.864 -0.823 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.084 -4.733 1.919 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.663 -4.174 -0.570 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.896 -2.403 0.050 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.552 -1.883 -0.193 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.384 -3.479 1.041 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.925 -5.186 1.246 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.317 -3.958 2.382 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.602 -0.857 1.848 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.947 -1.945 2.266 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.266 -2.473 2.513 1.00 50.14 H new ATOM 574 N CYS A 33 -2.285 -7.141 1.650 1.00 2.21 N ATOM 575 CA CYS A 33 -2.531 -8.570 1.572 1.00 35.42 C ATOM 576 C CYS A 33 -4.012 -8.819 1.866 1.00 3.32 C ATOM 577 O CYS A 33 -4.587 -8.189 2.753 1.00 43.20 O ATOM 578 CB CYS A 33 -1.621 -9.352 2.521 1.00 33.30 C ATOM 579 SG CYS A 33 -1.121 -10.935 1.746 1.00 13.01 S ATOM 0 H CYS A 33 -1.923 -6.819 2.547 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.296 -8.929 0.570 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.738 -8.760 2.761 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.140 -9.545 3.460 1.00 33.30 H new ATOM 0 HG CYS A 33 0.152 -10.907 1.484 1.00 13.01 H new ATOM 585 N GLU A 34 -4.586 -9.742 1.107 1.00 15.11 N ATOM 586 CA GLU A 34 -5.989 -10.081 1.276 1.00 60.01 C ATOM 587 C GLU A 34 -6.227 -11.546 0.902 1.00 42.00 C ATOM 588 O GLU A 34 -5.455 -12.131 0.144 1.00 21.50 O ATOM 589 CB GLU A 34 -6.881 -9.152 0.452 1.00 74.13 C ATOM 590 CG GLU A 34 -8.346 -9.284 0.870 1.00 21.12 C ATOM 591 CD GLU A 34 -8.500 -9.115 2.385 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.853 -8.024 2.854 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.239 -10.169 3.081 1.00 64.42 O ATOM 0 H GLU A 34 -4.105 -10.265 0.375 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.253 -9.945 2.325 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.554 -8.120 0.581 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.779 -9.389 -0.607 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.945 -8.534 0.354 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.728 -10.259 0.568 1.00 21.12 H new ATOM 601 N LYS A 35 -7.300 -12.096 1.450 1.00 12.15 N ATOM 602 CA LYS A 35 -7.652 -13.481 1.185 1.00 74.11 C ATOM 603 C LYS A 35 -8.648 -13.537 0.025 1.00 65.13 C ATOM 604 O LYS A 35 -9.678 -12.864 0.054 1.00 52.34 O ATOM 605 CB LYS A 35 -8.154 -14.161 2.460 1.00 54.43 C ATOM 606 CG LYS A 35 -7.776 -15.643 2.475 1.00 11.23 C ATOM 607 CD LYS A 35 -8.710 -16.456 1.576 1.00 11.40 C ATOM 608 CE LYS A 35 -10.052 -16.710 2.266 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.003 -15.615 1.969 1.00 23.43 N ATOM 0 H LYS A 35 -7.938 -11.607 2.077 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.771 -14.045 0.877 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.729 -13.665 3.333 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.237 -14.057 2.530 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.746 -15.763 2.139 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.824 -16.024 3.495 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.874 -15.923 0.639 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.241 -17.407 1.324 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.466 -17.661 1.930 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.905 -16.790 3.343 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.965 -16.002 1.893 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.972 -14.912 2.734 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.740 -15.161 1.071 1.00 23.43 H new ATOM 623 N ALA A 36 -8.306 -14.342 -0.970 1.00 44.15 N ATOM 624 CA ALA A 36 -9.158 -14.494 -2.137 1.00 42.21 C ATOM 625 C ALA A 36 -10.569 -14.875 -1.687 1.00 35.03 C ATOM 626 O ALA A 36 -10.828 -15.015 -0.492 1.00 61.54 O ATOM 627 CB ALA A 36 -8.548 -15.531 -3.083 1.00 55.13 C ATOM 0 H ALA A 36 -7.450 -14.896 -0.992 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.229 -13.554 -2.685 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.187 -15.645 -3.959 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.558 -15.199 -3.397 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.464 -16.488 -2.568 1.00 55.13 H new ATOM 633 N GLU A 37 -11.447 -15.032 -2.667 1.00 33.15 N ATOM 634 CA GLU A 37 -12.826 -15.394 -2.387 1.00 72.10 C ATOM 635 C GLU A 37 -13.017 -16.905 -2.530 1.00 21.01 C ATOM 636 O GLU A 37 -13.554 -17.553 -1.633 1.00 64.00 O ATOM 637 CB GLU A 37 -13.789 -14.630 -3.298 1.00 2.12 C ATOM 638 CG GLU A 37 -13.640 -15.079 -4.753 1.00 54.13 C ATOM 639 CD GLU A 37 -14.397 -14.143 -5.696 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.254 -14.599 -6.468 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.070 -12.898 -5.607 1.00 23.54 O ATOM 0 H GLU A 37 -11.230 -14.915 -3.657 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.053 -15.115 -1.358 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -14.815 -14.793 -2.967 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.595 -13.560 -3.222 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -12.585 -15.099 -5.025 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.017 -16.096 -4.864 1.00 54.13 H new ATOM 649 N LYS A 38 -12.569 -17.422 -3.665 1.00 32.50 N ATOM 650 CA LYS A 38 -12.684 -18.844 -3.937 1.00 70.13 C ATOM 651 C LYS A 38 -11.931 -19.627 -2.859 1.00 34.33 C ATOM 652 O LYS A 38 -12.371 -20.698 -2.443 1.00 61.34 O ATOM 653 CB LYS A 38 -12.222 -19.157 -5.361 1.00 31.21 C ATOM 654 CG LYS A 38 -13.165 -18.534 -6.392 1.00 30.31 C ATOM 655 CD LYS A 38 -12.908 -19.109 -7.787 1.00 62.11 C ATOM 656 CE LYS A 38 -13.669 -18.318 -8.853 1.00 24.23 C ATOM 657 NZ LYS A 38 -13.266 -16.894 -8.830 1.00 2.33 N ATOM 0 H LYS A 38 -12.125 -16.881 -4.407 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.727 -19.158 -3.890 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.211 -18.777 -5.511 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.182 -20.237 -5.505 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.199 -18.720 -6.103 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.028 -17.453 -6.409 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.840 -19.084 -8.004 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.215 -20.154 -7.816 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.472 -18.742 -9.838 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -14.742 -18.401 -8.679 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -13.402 -16.479 -9.774 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -13.848 -16.380 -8.139 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -12.264 -16.821 -8.561 1.00 2.33 H new ATOM 671 N SER A 39 -10.809 -19.064 -2.438 1.00 31.52 N ATOM 672 CA SER A 39 -9.990 -19.695 -1.418 1.00 23.13 C ATOM 673 C SER A 39 -10.883 -20.310 -0.336 1.00 61.22 C ATOM 674 O SER A 39 -12.043 -19.928 -0.195 1.00 52.33 O ATOM 675 CB SER A 39 -9.015 -18.695 -0.795 1.00 23.31 C ATOM 676 OG SER A 39 -7.888 -19.341 -0.208 1.00 4.43 O ATOM 0 H SER A 39 -10.447 -18.176 -2.785 1.00 31.52 H new ATOM 0 HA SER A 39 -9.405 -20.484 -1.891 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.675 -17.997 -1.559 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.533 -18.109 -0.036 1.00 23.31 H new ATOM 0 HG SER A 39 -7.269 -19.624 -0.913 1.00 4.43 H new ATOM 682 N ASP A 40 -10.307 -21.250 0.397 1.00 65.12 N ATOM 683 CA ASP A 40 -11.035 -21.920 1.461 1.00 2.54 C ATOM 684 C ASP A 40 -10.292 -21.723 2.783 1.00 55.42 C ATOM 685 O ASP A 40 -10.715 -22.236 3.819 1.00 54.00 O ATOM 686 CB ASP A 40 -11.138 -23.424 1.196 1.00 11.34 C ATOM 687 CG ASP A 40 -11.890 -23.805 -0.080 1.00 55.40 C ATOM 688 OD1 ASP A 40 -11.564 -24.805 -0.740 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.862 -23.017 -0.398 1.00 14.32 O ATOM 0 H ASP A 40 -9.344 -21.564 0.275 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.037 -21.492 1.506 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -10.131 -23.838 1.144 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.633 -23.894 2.046 1.00 11.34 H new ATOM 695 N ILE A 41 -9.200 -20.978 2.708 1.00 65.22 N ATOM 696 CA ILE A 41 -8.395 -20.707 3.886 1.00 75.43 C ATOM 697 C ILE A 41 -9.050 -19.588 4.699 1.00 34.44 C ATOM 698 O ILE A 41 -9.964 -18.921 4.219 1.00 24.44 O ATOM 699 CB ILE A 41 -6.946 -20.412 3.490 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.697 -18.906 3.402 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.577 -21.131 2.192 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.452 -18.603 2.566 1.00 2.30 C ATOM 0 H ILE A 41 -8.853 -20.553 1.848 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.352 -21.586 4.528 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.292 -20.800 4.271 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.564 -18.416 2.960 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.575 -18.495 4.404 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.543 -20.905 1.932 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.691 -22.207 2.327 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.234 -20.794 1.390 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.298 -17.525 2.520 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.582 -19.074 3.024 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.587 -18.994 1.557 1.00 2.30 H new ATOM 714 N PRO A 42 -8.542 -19.412 5.948 1.00 50.44 N ATOM 715 CA PRO A 42 -9.068 -18.386 6.832 1.00 24.42 C ATOM 716 C PRO A 42 -8.589 -16.997 6.405 1.00 24.50 C ATOM 717 O PRO A 42 -7.388 -16.762 6.276 1.00 43.12 O ATOM 718 CB PRO A 42 -8.587 -18.778 8.220 1.00 64.40 C ATOM 719 CG PRO A 42 -7.431 -19.743 8.005 1.00 30.21 C ATOM 720 CD PRO A 42 -7.458 -20.183 6.550 1.00 32.44 C ATOM 0 HA PRO A 42 -10.156 -18.324 6.804 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.265 -17.902 8.783 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.387 -19.248 8.792 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.482 -19.261 8.241 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.524 -20.604 8.666 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.507 -19.980 6.057 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.639 -21.254 6.464 1.00 32.44 H new ATOM 728 N GLU A 43 -9.552 -16.112 6.196 1.00 42.44 N ATOM 729 CA GLU A 43 -9.244 -14.753 5.787 1.00 50.22 C ATOM 730 C GLU A 43 -8.504 -14.016 6.905 1.00 11.31 C ATOM 731 O GLU A 43 -8.751 -14.261 8.085 1.00 21.42 O ATOM 732 CB GLU A 43 -10.513 -14.001 5.382 1.00 1.13 C ATOM 733 CG GLU A 43 -10.189 -12.570 4.947 1.00 32.10 C ATOM 734 CD GLU A 43 -11.467 -11.792 4.625 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.851 -11.690 3.451 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.068 -11.283 5.648 1.00 12.44 O ATOM 0 H GLU A 43 -10.547 -16.310 6.302 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.593 -14.797 4.914 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.008 -14.529 4.567 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.211 -13.981 6.219 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.639 -12.061 5.739 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.541 -12.590 4.071 1.00 32.10 H new ATOM 744 N ILE A 44 -7.612 -13.127 6.495 1.00 60.22 N ATOM 745 CA ILE A 44 -6.834 -12.353 7.447 1.00 23.32 C ATOM 746 C ILE A 44 -7.762 -11.401 8.204 1.00 4.52 C ATOM 747 O ILE A 44 -8.929 -11.250 7.845 1.00 3.42 O ATOM 748 CB ILE A 44 -5.673 -11.647 6.743 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.718 -11.016 7.759 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.188 -10.625 5.727 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.332 -10.802 7.148 1.00 33.21 C ATOM 0 H ILE A 44 -7.410 -12.925 5.516 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.377 -13.010 8.187 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.105 -12.393 6.188 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.121 -10.062 8.099 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.638 -11.658 8.636 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.343 -10.138 5.241 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.795 -11.132 4.977 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.793 -9.877 6.239 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.673 -10.353 7.890 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.922 -11.761 6.832 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.413 -10.140 6.286 1.00 33.21 H new ATOM 763 N ASP A 45 -7.211 -10.784 9.239 1.00 33.03 N ATOM 764 CA ASP A 45 -7.975 -9.852 10.050 1.00 71.14 C ATOM 765 C ASP A 45 -8.207 -8.564 9.257 1.00 0.43 C ATOM 766 O ASP A 45 -9.314 -8.028 9.247 1.00 74.13 O ATOM 767 CB ASP A 45 -7.221 -9.489 11.331 1.00 41.02 C ATOM 768 CG ASP A 45 -7.442 -10.446 12.504 1.00 61.43 C ATOM 769 OD1 ASP A 45 -6.874 -11.547 12.544 1.00 63.25 O ATOM 770 OD2 ASP A 45 -8.246 -10.014 13.415 1.00 2.34 O ATOM 0 H ASP A 45 -6.243 -10.912 9.535 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.920 -10.329 10.311 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.155 -9.451 11.109 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.519 -8.486 11.638 1.00 41.02 H new ATOM 776 N LYS A 46 -7.145 -8.106 8.610 1.00 54.04 N ATOM 777 CA LYS A 46 -7.219 -6.891 7.815 1.00 51.14 C ATOM 778 C LYS A 46 -6.225 -6.984 6.656 1.00 4.32 C ATOM 779 O LYS A 46 -5.338 -7.836 6.661 1.00 25.51 O ATOM 780 CB LYS A 46 -7.019 -5.659 8.700 1.00 35.22 C ATOM 781 CG LYS A 46 -6.035 -5.955 9.835 1.00 72.31 C ATOM 782 CD LYS A 46 -4.608 -6.092 9.301 1.00 10.44 C ATOM 783 CE LYS A 46 -3.687 -6.713 10.354 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.644 -7.539 9.707 1.00 3.44 N ATOM 0 H LYS A 46 -6.229 -8.554 8.620 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.211 -6.782 7.376 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.647 -4.830 8.098 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.977 -5.346 9.116 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -6.075 -5.155 10.574 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.327 -6.874 10.344 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.609 -6.710 8.403 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.228 -5.112 9.012 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.220 -5.926 10.947 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -4.271 -7.326 11.041 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.888 -7.743 10.392 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -3.063 -8.432 9.378 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.246 -7.023 8.896 1.00 3.44 H new ATOM 798 N ARG A 47 -6.407 -6.097 5.690 1.00 22.33 N ATOM 799 CA ARG A 47 -5.539 -6.068 4.527 1.00 73.31 C ATOM 800 C ARG A 47 -4.603 -4.859 4.593 1.00 10.15 C ATOM 801 O ARG A 47 -4.978 -3.758 4.193 1.00 4.24 O ATOM 802 CB ARG A 47 -6.353 -6.004 3.232 1.00 1.04 C ATOM 803 CG ARG A 47 -7.137 -4.693 3.141 1.00 52.44 C ATOM 804 CD ARG A 47 -8.383 -4.859 2.270 1.00 32.42 C ATOM 805 NE ARG A 47 -8.114 -4.354 0.904 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.835 -4.697 -0.185 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.874 -5.551 -0.077 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.506 -4.184 -1.357 1.00 1.01 N ATOM 0 H ARG A 47 -7.144 -5.392 5.689 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.953 -6.987 4.529 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.686 -6.093 2.374 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -7.042 -6.848 3.189 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.428 -4.369 4.140 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.500 -3.912 2.726 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.671 -5.909 2.229 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.220 -4.316 2.710 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.336 -3.707 0.778 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -10.120 -5.943 0.832 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.414 -5.805 -0.905 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.718 -3.540 -1.429 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.040 -4.432 -2.190 1.00 1.01 H new ATOM 822 N LYS A 48 -3.404 -5.106 5.100 1.00 32.22 N ATOM 823 CA LYS A 48 -2.413 -4.051 5.224 1.00 13.13 C ATOM 824 C LYS A 48 -1.046 -4.674 5.516 1.00 65.41 C ATOM 825 O LYS A 48 -0.856 -5.303 6.556 1.00 32.21 O ATOM 826 CB LYS A 48 -2.854 -3.020 6.264 1.00 2.52 C ATOM 827 CG LYS A 48 -1.728 -2.028 6.563 1.00 31.03 C ATOM 828 CD LYS A 48 -1.227 -1.363 5.279 1.00 5.15 C ATOM 829 CE LYS A 48 -0.361 -0.142 5.596 1.00 62.34 C ATOM 830 NZ LYS A 48 -0.549 0.905 4.567 1.00 61.43 N ATOM 0 H LYS A 48 -3.097 -6.021 5.430 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.321 -3.503 4.286 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.730 -2.483 5.900 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.150 -3.528 7.182 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.084 -1.266 7.256 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.904 -2.545 7.054 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.651 -2.080 4.695 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.076 -1.062 4.666 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.623 0.253 6.578 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.688 -0.434 5.640 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 0.351 1.403 4.410 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -0.862 0.466 3.678 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -1.268 1.584 4.889 1.00 61.43 H new ATOM 844 N TYR A 49 -0.128 -4.477 4.581 1.00 55.14 N ATOM 845 CA TYR A 49 1.214 -5.011 4.726 1.00 61.12 C ATOM 846 C TYR A 49 2.258 -4.024 4.196 1.00 45.23 C ATOM 847 O TYR A 49 2.290 -3.729 3.004 1.00 72.34 O ATOM 848 CB TYR A 49 1.257 -6.282 3.876 1.00 0.44 C ATOM 849 CG TYR A 49 0.693 -7.519 4.578 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.664 -7.624 4.808 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.542 -8.530 4.979 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.193 -8.787 5.469 1.00 10.22 C ATOM 853 CE2 TYR A 49 1.011 -9.695 5.641 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.330 -9.766 5.853 1.00 11.31 C ATOM 855 OH TYR A 49 -0.831 -10.866 6.476 1.00 30.03 O ATOM 0 H TYR A 49 -0.288 -3.954 3.720 1.00 55.14 H new ATOM 0 HA TYR A 49 1.439 -5.201 5.775 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.697 -6.111 2.957 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.290 -6.479 3.588 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.328 -6.833 4.492 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.603 -8.448 4.797 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.252 -8.881 5.656 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.664 -10.494 5.961 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.099 -11.481 6.692 1.00 30.03 H new ATOM 865 N LEU A 50 3.085 -3.541 5.113 1.00 74.33 N ATOM 866 CA LEU A 50 4.127 -2.593 4.754 1.00 43.30 C ATOM 867 C LEU A 50 5.453 -3.337 4.586 1.00 30.44 C ATOM 868 O LEU A 50 6.311 -3.291 5.466 1.00 14.21 O ATOM 869 CB LEU A 50 4.187 -1.452 5.771 1.00 73.54 C ATOM 870 CG LEU A 50 4.540 -0.072 5.213 1.00 22.24 C ATOM 871 CD1 LEU A 50 6.045 0.050 4.964 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.727 0.234 3.954 1.00 4.24 C ATOM 0 H LEU A 50 3.055 -3.788 6.102 1.00 74.33 H new ATOM 0 HA LEU A 50 3.901 -2.124 3.796 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.219 -1.384 6.268 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.920 -1.711 6.535 1.00 73.54 H new ATOM 0 HG LEU A 50 4.274 0.676 5.960 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.269 1.040 4.568 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.582 -0.096 5.901 1.00 24.21 H new ATOM 0 HD13 LEU A 50 6.358 -0.708 4.245 1.00 24.21 H new ATOM 0 HD21 LEU A 50 3.997 1.221 3.577 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.940 -0.516 3.192 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.664 0.216 4.194 1.00 4.24 H new ATOM 884 N VAL A 51 5.579 -4.008 3.450 1.00 34.04 N ATOM 885 CA VAL A 51 6.786 -4.763 3.156 1.00 63.40 C ATOM 886 C VAL A 51 7.848 -3.816 2.592 1.00 40.31 C ATOM 887 O VAL A 51 7.524 -2.858 1.894 1.00 53.13 O ATOM 888 CB VAL A 51 6.461 -5.924 2.215 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.275 -6.738 2.740 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.195 -5.422 0.795 1.00 42.33 C ATOM 0 H VAL A 51 4.865 -4.045 2.722 1.00 34.04 H new ATOM 0 HA VAL A 51 7.192 -5.204 4.066 1.00 63.40 H new ATOM 0 HB VAL A 51 7.330 -6.581 2.180 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.064 -7.558 2.053 1.00 22.24 H new ATOM 0 HG12 VAL A 51 5.517 -7.142 3.723 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.398 -6.095 2.818 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.967 -6.268 0.147 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.350 -4.734 0.805 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.079 -4.906 0.420 1.00 42.33 H new ATOM 900 N PRO A 52 9.129 -4.126 2.926 1.00 31.35 N ATOM 901 CA PRO A 52 10.242 -3.315 2.461 1.00 52.22 C ATOM 902 C PRO A 52 10.528 -3.574 0.981 1.00 45.42 C ATOM 903 O PRO A 52 9.831 -4.358 0.338 1.00 24.12 O ATOM 904 CB PRO A 52 11.405 -3.688 3.366 1.00 72.44 C ATOM 905 CG PRO A 52 11.034 -5.020 3.995 1.00 72.05 C ATOM 906 CD PRO A 52 9.551 -5.255 3.752 1.00 62.34 C ATOM 0 HA PRO A 52 10.037 -2.246 2.519 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.331 -3.769 2.798 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.565 -2.927 4.130 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.624 -5.826 3.559 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.249 -5.010 5.064 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.378 -6.204 3.244 1.00 62.34 H new ATOM 0 HD3 PRO A 52 8.996 -5.289 4.690 1.00 62.34 H new ATOM 914 N ALA A 53 11.554 -2.901 0.483 1.00 53.20 N ATOM 915 CA ALA A 53 11.941 -3.048 -0.909 1.00 13.10 C ATOM 916 C ALA A 53 12.995 -4.151 -1.028 1.00 64.41 C ATOM 917 O ALA A 53 13.713 -4.225 -2.023 1.00 65.24 O ATOM 918 CB ALA A 53 12.442 -1.705 -1.446 1.00 72.45 C ATOM 0 H ALA A 53 12.130 -2.252 1.019 1.00 53.20 H new ATOM 0 HA ALA A 53 11.084 -3.343 -1.515 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.732 -1.816 -2.491 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.648 -0.963 -1.367 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.303 -1.378 -0.863 1.00 72.45 H new ATOM 924 N ASP A 54 13.054 -4.982 0.003 1.00 11.31 N ATOM 925 CA ASP A 54 14.008 -6.078 0.027 1.00 24.43 C ATOM 926 C ASP A 54 13.250 -7.406 0.084 1.00 24.43 C ATOM 927 O ASP A 54 13.653 -8.381 -0.549 1.00 72.41 O ATOM 928 CB ASP A 54 14.910 -5.994 1.261 1.00 32.13 C ATOM 929 CG ASP A 54 15.367 -4.584 1.635 1.00 4.14 C ATOM 930 OD1 ASP A 54 16.454 -4.139 1.236 1.00 20.21 O ATOM 931 OD2 ASP A 54 14.545 -3.923 2.377 1.00 61.44 O ATOM 0 H ASP A 54 12.457 -4.918 0.827 1.00 11.31 H new ATOM 0 HA ASP A 54 14.620 -6.014 -0.873 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.379 -6.424 2.110 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.792 -6.612 1.090 1.00 32.13 H new ATOM 937 N LEU A 55 12.167 -7.401 0.847 1.00 53.33 N ATOM 938 CA LEU A 55 11.351 -8.593 0.994 1.00 33.10 C ATOM 939 C LEU A 55 10.864 -9.045 -0.385 1.00 55.22 C ATOM 940 O LEU A 55 10.338 -8.244 -1.155 1.00 73.35 O ATOM 941 CB LEU A 55 10.220 -8.348 1.996 1.00 22.25 C ATOM 942 CG LEU A 55 9.637 -9.593 2.666 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.032 -10.862 1.905 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.037 -9.661 4.140 1.00 41.11 C ATOM 0 H LEU A 55 11.836 -6.590 1.370 1.00 53.33 H new ATOM 0 HA LEU A 55 11.941 -9.410 1.408 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.589 -7.680 2.774 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.413 -7.824 1.483 1.00 22.25 H new ATOM 0 HG LEU A 55 8.550 -9.522 2.631 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.604 -11.733 2.403 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.655 -10.806 0.884 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.118 -10.952 1.886 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.609 -10.556 4.592 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.123 -9.698 4.221 1.00 41.11 H new ATOM 0 HD23 LEU A 55 9.664 -8.778 4.659 1.00 41.11 H new ATOM 956 N THR A 56 11.055 -10.328 -0.653 1.00 33.54 N ATOM 957 CA THR A 56 10.643 -10.897 -1.924 1.00 20.24 C ATOM 958 C THR A 56 9.206 -11.418 -1.835 1.00 22.22 C ATOM 959 O THR A 56 8.475 -11.074 -0.909 1.00 33.44 O ATOM 960 CB THR A 56 11.657 -11.974 -2.313 1.00 3.12 C ATOM 961 OG1 THR A 56 11.211 -13.137 -1.618 1.00 4.55 O ATOM 962 CG2 THR A 56 13.048 -11.704 -1.736 1.00 24.15 C ATOM 0 H THR A 56 11.490 -10.990 -0.011 1.00 33.54 H new ATOM 0 HA THR A 56 10.634 -10.142 -2.710 1.00 20.24 H new ATOM 0 HB THR A 56 11.722 -12.037 -3.399 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.057 -13.862 -2.259 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.729 -12.498 -2.042 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.416 -10.747 -2.106 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.991 -11.674 -0.648 1.00 24.15 H new ATOM 970 N VAL A 57 8.847 -12.239 -2.810 1.00 60.44 N ATOM 971 CA VAL A 57 7.512 -12.812 -2.853 1.00 24.01 C ATOM 972 C VAL A 57 7.467 -14.059 -1.969 1.00 24.23 C ATOM 973 O VAL A 57 6.703 -14.117 -1.007 1.00 23.23 O ATOM 974 CB VAL A 57 7.109 -13.091 -4.302 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.109 -14.247 -4.379 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.545 -11.834 -4.967 1.00 3.30 C ATOM 0 H VAL A 57 9.457 -12.522 -3.577 1.00 60.44 H new ATOM 0 HA VAL A 57 6.781 -12.107 -2.456 1.00 24.01 H new ATOM 0 HB VAL A 57 8.005 -13.385 -4.848 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.838 -14.425 -5.420 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.561 -15.147 -3.962 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.215 -13.993 -3.810 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.267 -12.061 -5.996 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.665 -11.496 -4.419 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.301 -11.048 -4.960 1.00 3.30 H new ATOM 986 N GLY A 58 8.299 -15.028 -2.325 1.00 11.12 N ATOM 987 CA GLY A 58 8.364 -16.271 -1.575 1.00 42.23 C ATOM 988 C GLY A 58 8.692 -16.007 -0.104 1.00 73.23 C ATOM 989 O GLY A 58 8.416 -16.841 0.757 1.00 60.02 O ATOM 0 H GLY A 58 8.933 -14.977 -3.122 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.412 -16.796 -1.650 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.122 -16.923 -2.009 1.00 42.23 H new ATOM 993 N GLN A 59 9.280 -14.844 0.140 1.00 64.11 N ATOM 994 CA GLN A 59 9.648 -14.461 1.492 1.00 61.51 C ATOM 995 C GLN A 59 8.486 -13.738 2.175 1.00 64.21 C ATOM 996 O GLN A 59 8.352 -13.785 3.396 1.00 44.31 O ATOM 997 CB GLN A 59 10.908 -13.594 1.490 1.00 30.41 C ATOM 998 CG GLN A 59 12.148 -14.426 1.159 1.00 65.32 C ATOM 999 CD GLN A 59 13.403 -13.814 1.784 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.342 -13.430 1.105 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.368 -13.744 3.112 1.00 1.14 N ATOM 0 H GLN A 59 9.510 -14.155 -0.576 1.00 64.11 H new ATOM 0 HA GLN A 59 9.869 -15.366 2.058 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.800 -12.791 0.761 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.031 -13.124 2.466 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.015 -15.444 1.525 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.270 -14.489 0.078 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.551 -14.084 3.619 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.158 -13.351 3.623 1.00 1.14 H new ATOM 1010 N PHE A 60 7.673 -13.087 1.355 1.00 0.21 N ATOM 1011 CA PHE A 60 6.526 -12.356 1.865 1.00 52.15 C ATOM 1012 C PHE A 60 5.460 -13.313 2.404 1.00 43.15 C ATOM 1013 O PHE A 60 4.830 -13.036 3.423 1.00 50.40 O ATOM 1014 CB PHE A 60 5.939 -11.569 0.691 1.00 50.40 C ATOM 1015 CG PHE A 60 4.655 -10.810 1.031 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.675 -9.817 1.960 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.490 -11.129 0.402 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.483 -9.115 2.274 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.298 -10.425 0.716 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.320 -9.433 1.646 1.00 23.01 C ATOM 0 H PHE A 60 7.786 -13.051 0.342 1.00 0.21 H new ATOM 0 HA PHE A 60 6.835 -11.702 2.680 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.685 -10.859 0.334 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.736 -12.257 -0.129 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.599 -9.563 2.459 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.473 -11.918 -0.336 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.499 -8.327 3.013 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.374 -10.677 0.217 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.413 -8.898 1.886 1.00 23.01 H new ATOM 1030 N VAL A 61 5.293 -14.421 1.697 1.00 32.35 N ATOM 1031 CA VAL A 61 4.315 -15.420 2.090 1.00 5.44 C ATOM 1032 C VAL A 61 4.487 -15.736 3.578 1.00 71.34 C ATOM 1033 O VAL A 61 3.510 -15.774 4.325 1.00 5.54 O ATOM 1034 CB VAL A 61 4.442 -16.657 1.198 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.507 -17.772 1.672 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.177 -16.304 -0.266 1.00 73.01 C ATOM 0 H VAL A 61 5.819 -14.649 0.853 1.00 32.35 H new ATOM 0 HA VAL A 61 3.303 -15.039 1.952 1.00 5.44 H new ATOM 0 HB VAL A 61 5.466 -17.024 1.275 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.616 -18.640 1.021 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.762 -18.051 2.694 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.476 -17.421 1.638 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.273 -17.200 -0.879 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.169 -15.902 -0.367 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.900 -15.558 -0.597 1.00 73.01 H new ATOM 1046 N TYR A 62 5.735 -15.955 3.964 1.00 14.20 N ATOM 1047 CA TYR A 62 6.048 -16.266 5.349 1.00 74.54 C ATOM 1048 C TYR A 62 5.295 -15.337 6.303 1.00 34.14 C ATOM 1049 O TYR A 62 4.924 -15.739 7.404 1.00 35.32 O ATOM 1050 CB TYR A 62 7.551 -16.028 5.506 1.00 44.14 C ATOM 1051 CG TYR A 62 7.936 -15.309 6.800 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.462 -15.770 8.012 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.756 -14.201 6.756 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.824 -15.093 9.231 1.00 24.35 C ATOM 1055 CE2 TYR A 62 9.119 -13.524 7.974 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.634 -14.004 9.152 1.00 2.21 C ATOM 1057 OH TYR A 62 8.977 -13.365 10.302 1.00 63.13 O ATOM 0 H TYR A 62 6.542 -15.923 3.341 1.00 14.20 H new ATOM 0 HA TYR A 62 5.760 -17.290 5.587 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.066 -16.988 5.469 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.906 -15.443 4.658 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.820 -16.638 8.046 1.00 62.34 H new ATOM 0 HD2 TYR A 62 9.126 -13.841 5.807 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.460 -15.443 10.186 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.761 -12.656 7.953 1.00 24.10 H new ATOM 0 HH TYR A 62 9.560 -12.606 10.093 1.00 63.13 H new ATOM 1067 N VAL A 63 5.090 -14.110 5.845 1.00 52.24 N ATOM 1068 CA VAL A 63 4.388 -13.120 6.644 1.00 35.03 C ATOM 1069 C VAL A 63 2.892 -13.446 6.652 1.00 4.02 C ATOM 1070 O VAL A 63 2.229 -13.308 7.679 1.00 23.34 O ATOM 1071 CB VAL A 63 4.692 -11.714 6.122 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.891 -10.661 6.889 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.191 -11.420 6.186 1.00 44.31 C ATOM 0 H VAL A 63 5.398 -13.779 4.931 1.00 52.24 H new ATOM 0 HA VAL A 63 4.733 -13.149 7.678 1.00 35.03 H new ATOM 0 HB VAL A 63 4.387 -11.669 5.076 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.125 -9.670 6.499 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.825 -10.856 6.769 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.151 -10.705 7.947 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.381 -10.415 5.810 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.532 -11.491 7.219 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.730 -12.144 5.575 1.00 44.31 H new ATOM 1083 N ILE A 64 2.406 -13.870 5.496 1.00 25.51 N ATOM 1084 CA ILE A 64 1.001 -14.217 5.356 1.00 30.30 C ATOM 1085 C ILE A 64 0.705 -15.472 6.177 1.00 3.31 C ATOM 1086 O ILE A 64 -0.387 -15.620 6.720 1.00 53.34 O ATOM 1087 CB ILE A 64 0.626 -14.345 3.878 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.213 -13.192 3.061 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.891 -14.455 3.706 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.132 -11.874 3.833 1.00 35.01 C ATOM 0 H ILE A 64 2.959 -13.982 4.647 1.00 25.51 H new ATOM 0 HA ILE A 64 0.371 -13.421 5.753 1.00 30.30 H new ATOM 0 HB ILE A 64 1.062 -15.267 3.493 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.252 -13.409 2.814 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.674 -13.099 2.118 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.131 -14.545 2.647 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.254 -15.335 4.237 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.369 -13.563 4.112 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.556 -11.072 3.229 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.090 -11.647 4.057 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.692 -11.962 4.764 1.00 35.01 H new ATOM 1102 N ARG A 65 1.701 -16.344 6.243 1.00 63.25 N ATOM 1103 CA ARG A 65 1.562 -17.584 6.990 1.00 61.31 C ATOM 1104 C ARG A 65 1.713 -17.320 8.489 1.00 12.01 C ATOM 1105 O ARG A 65 1.567 -18.233 9.301 1.00 41.52 O ATOM 1106 CB ARG A 65 2.607 -18.611 6.551 1.00 31.34 C ATOM 1107 CG ARG A 65 2.249 -20.009 7.061 1.00 61.42 C ATOM 1108 CD ARG A 65 1.636 -20.857 5.944 1.00 12.15 C ATOM 1109 NE ARG A 65 2.629 -21.073 4.868 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.610 -22.122 4.020 1.00 13.14 C ATOM 1111 NH1 ARG A 65 1.648 -23.064 4.115 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.548 -22.214 3.095 1.00 34.13 N ATOM 0 H ARG A 65 2.607 -16.217 5.792 1.00 63.25 H new ATOM 0 HA ARG A 65 0.569 -17.984 6.787 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.676 -18.623 5.463 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.588 -18.322 6.929 1.00 31.34 H new ATOM 0 HG2 ARG A 65 3.143 -20.500 7.447 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.546 -19.929 7.890 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.307 -21.816 6.344 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.754 -20.360 5.541 1.00 12.15 H new ATOM 0 HE ARG A 65 3.375 -20.385 4.761 1.00 42.22 H new ATOM 0 HH11 ARG A 65 0.927 -22.986 4.832 1.00 33.44 H new ATOM 0 HH12 ARG A 65 1.642 -23.854 3.469 1.00 33.44 H new ATOM 0 HH21 ARG A 65 4.272 -21.498 3.030 1.00 34.13 H new ATOM 0 HH22 ARG A 65 3.549 -23.001 2.446 1.00 34.13 H new ATOM 1126 N LYS A 66 2.001 -16.068 8.811 1.00 55.44 N ATOM 1127 CA LYS A 66 2.174 -15.673 10.199 1.00 1.33 C ATOM 1128 C LYS A 66 0.825 -15.229 10.770 1.00 70.51 C ATOM 1129 O LYS A 66 0.418 -15.684 11.837 1.00 24.42 O ATOM 1130 CB LYS A 66 3.272 -14.616 10.322 1.00 12.24 C ATOM 1131 CG LYS A 66 4.605 -15.254 10.719 1.00 14.13 C ATOM 1132 CD LYS A 66 5.567 -14.205 11.284 1.00 31.51 C ATOM 1133 CE LYS A 66 6.500 -14.824 12.328 1.00 71.45 C ATOM 1134 NZ LYS A 66 7.722 -14.005 12.480 1.00 62.23 N ATOM 0 H LYS A 66 2.119 -15.313 8.135 1.00 55.44 H new ATOM 0 HA LYS A 66 2.511 -16.520 10.797 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.384 -14.091 9.373 1.00 12.24 H new ATOM 0 HB3 LYS A 66 2.985 -13.873 11.066 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.433 -16.033 11.462 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.055 -15.736 9.851 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.156 -13.773 10.475 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.999 -13.391 11.735 1.00 31.51 H new ATOM 0 HE2 LYS A 66 5.985 -14.900 13.285 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.769 -15.837 12.029 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 8.469 -14.575 12.926 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 8.043 -13.684 11.544 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 7.514 -13.179 13.077 1.00 62.23 H new ATOM 1148 N ARG A 67 0.170 -14.345 10.031 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.125 -13.835 10.450 1.00 11.04 C ATOM 1150 C ARG A 67 -2.080 -14.992 10.751 1.00 10.11 C ATOM 1151 O ARG A 67 -2.477 -15.191 11.898 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.741 -12.943 9.369 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.311 -11.487 9.549 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.189 -10.779 10.584 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.843 -11.246 11.946 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.843 -10.731 12.692 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.081 -9.724 12.215 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.622 -11.225 13.896 1.00 2.44 N ATOM 0 H ARG A 67 0.511 -13.969 9.146 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.972 -13.242 11.352 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.437 -13.297 8.384 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.828 -13.013 9.411 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.268 -11.448 9.864 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.375 -10.965 8.594 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.050 -9.700 10.514 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.241 -10.979 10.378 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.395 -12.005 12.346 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.259 -9.347 11.284 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.673 -9.341 12.785 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.203 -11.985 14.250 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.130 -10.847 14.472 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.422 -15.725 9.702 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.322 -16.856 9.841 1.00 51.02 C ATOM 1174 C ILE A 68 -2.594 -18.000 10.547 1.00 1.12 C ATOM 1175 O ILE A 68 -3.195 -19.025 10.862 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.906 -17.247 8.481 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.812 -17.306 7.412 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.045 -16.308 8.082 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.234 -18.200 6.244 1.00 64.50 C ATOM 0 H ILE A 68 -2.092 -15.557 8.752 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.175 -16.588 10.464 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.329 -18.248 8.566 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.600 -16.301 7.047 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.890 -17.686 7.851 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.441 -16.609 7.112 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.837 -16.359 8.829 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.670 -15.287 8.020 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.439 -18.224 5.499 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.421 -19.210 6.608 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.143 -17.803 5.792 1.00 64.50 H new ATOM 1191 N MET A 69 -1.305 -17.785 10.779 1.00 12.12 N ATOM 1192 CA MET A 69 -0.488 -18.785 11.443 1.00 64.34 C ATOM 1193 C MET A 69 -0.790 -20.186 10.907 1.00 52.33 C ATOM 1194 O MET A 69 -0.895 -21.140 11.675 1.00 32.01 O ATOM 1195 CB MET A 69 -0.757 -18.745 12.949 1.00 12.53 C ATOM 1196 CG MET A 69 -2.208 -19.123 13.256 1.00 10.21 C ATOM 1197 SD MET A 69 -2.409 -19.392 15.009 1.00 12.40 S ATOM 1198 CE MET A 69 -3.313 -17.917 15.449 1.00 45.12 C ATOM 0 H MET A 69 -0.809 -16.933 10.518 1.00 12.12 H new ATOM 0 HA MET A 69 0.560 -18.560 11.245 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.082 -19.431 13.461 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.548 -17.747 13.333 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.878 -18.331 12.922 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.482 -20.024 12.707 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.523 -17.924 16.519 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.718 -17.038 15.202 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.252 -17.887 14.896 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.921 -20.264 9.591 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.209 -21.533 8.942 1.00 10.14 C ATOM 1210 C LEU A 70 -0.060 -22.509 9.207 1.00 2.25 C ATOM 1211 O LEU A 70 1.106 -22.118 9.196 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.505 -21.320 7.457 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.657 -22.142 6.877 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.876 -22.104 7.801 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.000 -21.682 5.459 1.00 2.24 C ATOM 0 H LEU A 70 -0.833 -19.470 8.956 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.110 -21.980 9.362 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.723 -20.264 7.298 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.602 -21.548 6.891 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.335 -23.181 6.809 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.681 -22.696 7.366 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.608 -22.516 8.774 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.209 -21.073 7.922 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.822 -22.283 5.070 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.295 -20.633 5.478 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.128 -21.802 4.817 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.440 -23.793 9.445 1.00 43.24 N ATOM 1228 CA PRO A 71 0.545 -24.827 9.713 1.00 13.55 C ATOM 1229 C PRO A 71 1.266 -25.242 8.428 1.00 75.31 C ATOM 1230 O PRO A 71 0.874 -24.841 7.334 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.241 -25.964 10.346 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.697 -25.716 9.986 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.811 -24.291 9.466 1.00 33.31 C ATOM 0 HA PRO A 71 1.339 -24.490 10.379 1.00 13.55 H new ATOM 0 HB2 PRO A 71 0.096 -26.929 9.968 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.103 -25.979 11.427 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.030 -26.427 9.229 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.335 -25.857 10.858 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.256 -24.267 8.471 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.443 -23.683 10.113 1.00 33.31 H new ATOM 1241 N PRO A 72 2.336 -26.062 8.610 1.00 11.43 N ATOM 1242 CA PRO A 72 3.116 -26.535 7.479 1.00 73.31 C ATOM 1243 C PRO A 72 2.367 -27.626 6.714 1.00 14.34 C ATOM 1244 O PRO A 72 2.871 -28.155 5.725 1.00 14.13 O ATOM 1245 CB PRO A 72 4.425 -27.023 8.081 1.00 1.11 C ATOM 1246 CG PRO A 72 4.150 -27.236 9.560 1.00 12.50 C ATOM 1247 CD PRO A 72 2.830 -26.557 9.893 1.00 2.00 C ATOM 0 HA PRO A 72 3.299 -25.756 6.739 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.752 -27.949 7.607 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.220 -26.292 7.933 1.00 1.11 H new ATOM 0 HG2 PRO A 72 4.100 -28.300 9.789 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.957 -26.818 10.162 1.00 12.50 H new ATOM 0 HD2 PRO A 72 2.127 -27.257 10.345 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.971 -25.743 10.604 1.00 2.00 H new ATOM 1255 N GLU A 73 1.173 -27.933 7.202 1.00 4.32 N ATOM 1256 CA GLU A 73 0.348 -28.953 6.576 1.00 33.04 C ATOM 1257 C GLU A 73 -0.610 -28.315 5.567 1.00 15.04 C ATOM 1258 O GLU A 73 -1.484 -28.988 5.026 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.419 -29.759 7.627 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.528 -28.916 8.261 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.493 -29.794 9.059 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.389 -29.270 9.739 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -2.290 -31.063 8.955 1.00 11.00 O ATOM 0 H GLU A 73 0.758 -27.493 8.023 1.00 4.32 H new ATOM 0 HA GLU A 73 1.001 -29.643 6.042 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -0.851 -30.647 7.166 1.00 51.24 H new ATOM 0 HB3 GLU A 73 0.268 -30.103 8.400 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.089 -28.163 8.916 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.074 -28.382 7.483 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.411 -27.024 5.346 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.245 -26.288 4.411 1.00 74.24 C ATOM 1273 C LYS A 74 -0.357 -25.601 3.372 1.00 4.24 C ATOM 1274 O LYS A 74 0.866 -25.724 3.417 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.169 -25.326 5.162 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.451 -26.033 5.607 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.689 -25.331 5.044 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.214 -26.054 3.804 1.00 43.12 C ATOM 1279 NZ LYS A 74 -5.784 -27.369 4.172 1.00 72.20 N ATOM 0 H LYS A 74 0.315 -26.469 5.798 1.00 15.22 H new ATOM 0 HA LYS A 74 -1.902 -26.969 3.869 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.651 -24.923 6.032 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.419 -24.481 4.520 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.433 -27.070 5.272 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.502 -26.050 6.696 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.468 -25.295 5.805 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.443 -24.300 4.791 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.975 -25.445 3.316 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -4.406 -26.190 3.086 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.499 -27.647 3.469 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.027 -28.081 4.196 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.228 -27.305 5.110 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.008 -24.896 2.458 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.293 -24.191 1.408 1.00 13.52 C ATOM 1295 C ALA A 75 -0.897 -22.797 1.233 1.00 54.01 C ATOM 1296 O ALA A 75 -2.092 -22.602 1.453 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.336 -25.012 0.119 1.00 3.35 C ATOM 0 H ALA A 75 -2.023 -24.798 2.423 1.00 2.43 H new ATOM 0 HA ALA A 75 0.756 -24.064 1.677 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.201 -24.482 -0.668 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.133 -25.981 0.289 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.373 -25.159 -0.184 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.046 -21.861 0.839 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.483 -20.491 0.631 1.00 65.33 C ATOM 1305 C ILE A 76 0.369 -19.850 -0.467 1.00 4.31 C ATOM 1306 O ILE A 76 1.589 -19.754 -0.336 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.466 -19.717 1.951 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.665 -18.772 2.046 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.862 -18.981 2.139 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.562 -17.880 3.284 1.00 43.42 C ATOM 0 H ILE A 76 0.944 -22.025 0.658 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.517 -20.469 0.288 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.554 -20.433 2.769 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.717 -18.153 1.150 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.587 -19.352 2.086 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.847 -18.439 3.085 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.680 -19.702 2.147 1.00 65.54 H new ATOM 0 HG23 ILE A 76 1.007 -18.277 1.320 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.427 -17.218 3.328 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.535 -18.502 4.179 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.651 -17.284 3.228 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.307 -19.429 -1.526 1.00 12.42 N ATOM 1323 CA PHE A 77 0.372 -18.800 -2.647 1.00 62.30 C ATOM 1324 C PHE A 77 -0.155 -17.383 -2.882 1.00 33.33 C ATOM 1325 O PHE A 77 -1.349 -17.129 -2.731 1.00 33.52 O ATOM 1326 CB PHE A 77 0.078 -19.653 -3.882 1.00 40.44 C ATOM 1327 CG PHE A 77 0.411 -21.136 -3.710 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.522 -21.988 -3.207 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.641 -21.603 -4.057 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.213 -23.365 -3.046 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.950 -22.979 -3.896 1.00 1.33 C ATOM 1332 CZ PHE A 77 1.017 -23.831 -3.393 1.00 35.23 C ATOM 0 H PHE A 77 -1.318 -19.511 -1.632 1.00 12.42 H new ATOM 0 HA PHE A 77 1.441 -18.732 -2.445 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -0.978 -19.556 -4.135 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.645 -19.260 -4.726 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.498 -21.618 -2.930 1.00 44.34 H new ATOM 0 HD2 PHE A 77 2.383 -20.926 -4.455 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -0.955 -24.042 -2.648 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.926 -23.349 -4.173 1.00 1.33 H new ATOM 0 HZ PHE A 77 1.253 -24.878 -3.269 1.00 35.23 H new ATOM 1342 N ILE A 78 0.761 -16.499 -3.248 1.00 3.55 N ATOM 1343 CA ILE A 78 0.404 -15.114 -3.506 1.00 70.04 C ATOM 1344 C ILE A 78 -0.088 -14.979 -4.948 1.00 63.43 C ATOM 1345 O ILE A 78 0.474 -15.586 -5.858 1.00 62.34 O ATOM 1346 CB ILE A 78 1.571 -14.187 -3.164 1.00 15.11 C ATOM 1347 CG1 ILE A 78 2.059 -14.423 -1.732 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.200 -12.723 -3.409 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.099 -13.800 -0.717 1.00 44.32 C ATOM 0 H ILE A 78 1.750 -16.715 -3.372 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.417 -14.805 -2.859 1.00 70.04 H new ATOM 0 HB ILE A 78 2.401 -14.424 -3.830 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.147 -15.493 -1.546 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.054 -13.995 -1.608 1.00 31.40 H new ATOM 0 HG21 ILE A 78 2.048 -12.086 -3.158 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.940 -12.584 -4.458 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.347 -12.455 -2.786 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.468 -13.982 0.292 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.032 -12.726 -0.891 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.111 -14.248 -0.828 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.131 -14.180 -5.112 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.704 -13.956 -6.428 1.00 2.04 C ATOM 1363 C PHE A 79 -1.904 -12.463 -6.694 1.00 53.42 C ATOM 1364 O PHE A 79 -2.462 -11.750 -5.862 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.066 -14.652 -6.446 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.024 -16.091 -6.968 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.870 -16.328 -8.298 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.140 -17.131 -6.100 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -2.830 -17.663 -8.781 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.099 -18.466 -6.583 1.00 1.54 C ATOM 1371 CZ PHE A 79 -2.946 -18.703 -7.913 1.00 62.01 C ATOM 0 H PHE A 79 -1.595 -13.679 -4.354 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.036 -14.347 -7.196 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.474 -14.655 -5.435 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.751 -14.072 -7.065 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.778 -15.501 -8.987 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.263 -16.942 -5.044 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -2.707 -17.852 -9.837 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.189 -19.293 -5.894 1.00 1.54 H new ATOM 0 HZ PHE A 79 -2.917 -19.718 -8.280 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.436 -12.033 -7.856 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.555 -10.637 -8.243 1.00 62.12 C ATOM 1383 C VAL A 80 -2.138 -10.551 -9.655 1.00 53.14 C ATOM 1384 O VAL A 80 -1.541 -11.050 -10.607 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.201 -9.940 -8.111 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.370 -8.421 -8.048 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.566 -10.456 -6.892 1.00 72.24 C ATOM 0 H VAL A 80 -0.973 -12.627 -8.543 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.240 -10.113 -7.577 1.00 62.12 H new ATOM 0 HB VAL A 80 0.384 -10.176 -9.000 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.608 -7.950 -7.954 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.856 -8.071 -8.959 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.983 -8.159 -7.186 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.525 -9.943 -6.822 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.014 -10.265 -5.989 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.734 -11.528 -6.995 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.296 -9.915 -9.745 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.966 -9.757 -11.025 1.00 42.34 C ATOM 1399 C ASN A 81 -4.287 -11.137 -11.601 1.00 23.52 C ATOM 1400 O ASN A 81 -4.523 -11.274 -12.801 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.074 -9.024 -12.026 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.278 -7.911 -11.340 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.744 -6.798 -11.161 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -1.054 -8.273 -10.967 1.00 23.44 N ATOM 0 H ASN A 81 -3.788 -9.503 -8.952 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.875 -9.178 -10.861 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.389 -9.731 -12.493 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.686 -8.600 -12.822 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.444 -7.602 -10.501 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.726 -9.222 -11.147 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.287 -12.127 -10.719 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.575 -13.491 -11.126 1.00 23.32 C ATOM 1413 C ASP A 82 -3.314 -14.118 -11.726 1.00 11.03 C ATOM 1414 O ASP A 82 -3.399 -15.037 -12.539 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.674 -13.529 -12.190 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.448 -14.846 -12.273 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.671 -14.856 -12.468 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -5.732 -15.910 -12.127 1.00 63.05 O ATOM 0 H ASP A 82 -4.092 -12.011 -9.725 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.906 -14.042 -10.246 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -6.379 -12.722 -11.991 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.225 -13.327 -13.162 1.00 70.50 H new ATOM 1424 N THR A 83 -2.173 -13.596 -11.301 1.00 42.44 N ATOM 1425 CA THR A 83 -0.896 -14.091 -11.786 1.00 61.11 C ATOM 1426 C THR A 83 0.067 -14.316 -10.618 1.00 21.15 C ATOM 1427 O THR A 83 0.490 -13.364 -9.966 1.00 74.25 O ATOM 1428 CB THR A 83 -0.369 -13.102 -12.827 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.266 -13.928 -13.799 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.763 -12.229 -12.283 1.00 30.14 C ATOM 0 H THR A 83 -2.106 -12.835 -10.626 1.00 42.44 H new ATOM 0 HA THR A 83 -1.006 -15.063 -12.268 1.00 61.11 H new ATOM 0 HB THR A 83 -1.185 -12.466 -13.170 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.635 -13.368 -14.513 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.101 -11.545 -13.061 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.402 -11.657 -11.428 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.593 -12.863 -11.971 1.00 30.14 H new ATOM 1438 N LEU A 84 0.384 -15.583 -10.390 1.00 12.33 N ATOM 1439 CA LEU A 84 1.290 -15.945 -9.312 1.00 64.22 C ATOM 1440 C LEU A 84 2.713 -15.528 -9.686 1.00 22.45 C ATOM 1441 O LEU A 84 3.296 -16.070 -10.625 1.00 1.12 O ATOM 1442 CB LEU A 84 1.152 -17.430 -8.974 1.00 62.51 C ATOM 1443 CG LEU A 84 1.257 -17.793 -7.491 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.128 -17.912 -6.855 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.090 -19.062 -7.295 1.00 5.15 C ATOM 0 H LEU A 84 0.030 -16.371 -10.933 1.00 12.33 H new ATOM 0 HA LEU A 84 1.031 -15.409 -8.399 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.189 -17.779 -9.346 1.00 62.51 H new ATOM 0 HB3 LEU A 84 1.921 -17.979 -9.517 1.00 62.51 H new ATOM 0 HG LEU A 84 1.777 -16.984 -6.978 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.024 -18.171 -5.801 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.653 -16.961 -6.945 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.697 -18.690 -7.365 1.00 31.45 H new ATOM 0 HD21 LEU A 84 2.149 -19.298 -6.232 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.621 -19.891 -7.825 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.094 -18.902 -7.688 1.00 5.15 H new ATOM 1457 N PRO A 85 3.246 -14.544 -8.914 1.00 73.14 N ATOM 1458 CA PRO A 85 4.590 -14.049 -9.155 1.00 54.01 C ATOM 1459 C PRO A 85 5.640 -15.050 -8.665 1.00 31.32 C ATOM 1460 O PRO A 85 5.321 -15.972 -7.916 1.00 23.50 O ATOM 1461 CB PRO A 85 4.654 -12.716 -8.427 1.00 13.52 C ATOM 1462 CG PRO A 85 3.512 -12.733 -7.426 1.00 42.32 C ATOM 1463 CD PRO A 85 2.585 -13.879 -7.794 1.00 13.01 C ATOM 0 HA PRO A 85 4.807 -13.920 -10.215 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.613 -12.592 -7.924 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.550 -11.885 -9.124 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.894 -12.862 -6.413 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.974 -11.785 -7.445 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.445 -14.561 -6.955 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.597 -13.515 -8.077 1.00 13.01 H new ATOM 1471 N PRO A 86 6.902 -14.827 -9.121 1.00 12.01 N ATOM 1472 CA PRO A 86 8.000 -15.698 -8.736 1.00 0.14 C ATOM 1473 C PRO A 86 8.434 -15.429 -7.295 1.00 13.22 C ATOM 1474 O PRO A 86 7.736 -14.745 -6.549 1.00 70.44 O ATOM 1475 CB PRO A 86 9.097 -15.418 -9.751 1.00 21.33 C ATOM 1476 CG PRO A 86 8.752 -14.077 -10.377 1.00 1.45 C ATOM 1477 CD PRO A 86 7.317 -13.745 -10.009 1.00 12.41 C ATOM 0 HA PRO A 86 7.725 -16.753 -8.747 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.075 -15.385 -9.270 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.140 -16.202 -10.507 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.428 -13.302 -10.015 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.868 -14.121 -11.460 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.249 -12.777 -9.512 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.683 -13.694 -10.894 1.00 12.41 H new ATOM 1485 N THR A 87 9.588 -15.982 -6.945 1.00 44.33 N ATOM 1486 CA THR A 87 10.125 -15.809 -5.606 1.00 62.41 C ATOM 1487 C THR A 87 11.088 -14.623 -5.566 1.00 30.31 C ATOM 1488 O THR A 87 11.195 -13.940 -4.548 1.00 14.22 O ATOM 1489 CB THR A 87 10.770 -17.130 -5.182 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.086 -17.065 -5.726 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.140 -18.340 -5.877 1.00 50.43 C ATOM 0 H THR A 87 10.165 -16.550 -7.566 1.00 44.33 H new ATOM 0 HA THR A 87 9.337 -15.571 -4.892 1.00 62.41 H new ATOM 0 HB THR A 87 10.682 -17.245 -4.102 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.576 -17.882 -5.497 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.635 -19.251 -5.540 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.080 -18.390 -5.630 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.257 -18.241 -6.956 1.00 50.43 H new ATOM 1499 N ALA A 88 11.764 -14.412 -6.685 1.00 71.44 N ATOM 1500 CA ALA A 88 12.715 -13.318 -6.791 1.00 13.45 C ATOM 1501 C ALA A 88 11.977 -12.045 -7.213 1.00 44.20 C ATOM 1502 O ALA A 88 12.604 -11.049 -7.568 1.00 63.25 O ATOM 1503 CB ALA A 88 13.824 -13.699 -7.774 1.00 64.41 C ATOM 0 H ALA A 88 11.672 -14.980 -7.527 1.00 71.44 H new ATOM 0 HA ALA A 88 13.185 -13.124 -5.827 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.537 -12.879 -7.854 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.336 -14.592 -7.416 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.389 -13.898 -8.754 1.00 64.41 H new ATOM 1509 N ALA A 89 10.655 -12.119 -7.157 1.00 34.45 N ATOM 1510 CA ALA A 89 9.825 -10.986 -7.527 1.00 73.43 C ATOM 1511 C ALA A 89 9.853 -9.950 -6.402 1.00 42.11 C ATOM 1512 O ALA A 89 8.817 -9.626 -5.825 1.00 30.52 O ATOM 1513 CB ALA A 89 8.408 -11.471 -7.838 1.00 61.45 C ATOM 0 H ALA A 89 10.138 -12.947 -6.861 1.00 34.45 H new ATOM 0 HA ALA A 89 10.210 -10.506 -8.427 1.00 73.43 H new ATOM 0 HB1 ALA A 89 7.785 -10.621 -8.116 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.440 -12.182 -8.663 1.00 61.45 H new ATOM 0 HB3 ALA A 89 7.988 -11.956 -6.957 1.00 61.45 H new ATOM 1519 N LEU A 90 11.053 -9.458 -6.124 1.00 64.42 N ATOM 1520 CA LEU A 90 11.228 -8.464 -5.079 1.00 63.51 C ATOM 1521 C LEU A 90 9.949 -7.635 -4.946 1.00 52.21 C ATOM 1522 O LEU A 90 9.569 -6.923 -5.873 1.00 54.01 O ATOM 1523 CB LEU A 90 12.480 -7.624 -5.343 1.00 34.25 C ATOM 1524 CG LEU A 90 13.583 -7.713 -4.287 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.734 -9.145 -3.767 1.00 54.54 C ATOM 1526 CD2 LEU A 90 14.903 -7.156 -4.823 1.00 41.31 C ATOM 0 H LEU A 90 11.911 -9.729 -6.604 1.00 64.42 H new ATOM 0 HA LEU A 90 11.393 -8.950 -4.117 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.899 -7.925 -6.303 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.180 -6.581 -5.439 1.00 34.25 H new ATOM 0 HG LEU A 90 13.292 -7.093 -3.439 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.525 -9.179 -3.018 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.795 -9.470 -3.318 1.00 54.54 H new ATOM 0 HD13 LEU A 90 13.989 -9.807 -4.594 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.670 -7.232 -4.052 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.211 -7.728 -5.698 1.00 41.31 H new ATOM 0 HD23 LEU A 90 14.770 -6.111 -5.102 1.00 41.31 H new ATOM 1538 N MET A 91 9.322 -7.756 -3.787 1.00 32.43 N ATOM 1539 CA MET A 91 8.094 -7.028 -3.520 1.00 22.31 C ATOM 1540 C MET A 91 8.139 -5.630 -4.143 1.00 44.01 C ATOM 1541 O MET A 91 7.107 -5.088 -4.536 1.00 41.02 O ATOM 1542 CB MET A 91 7.888 -6.907 -2.009 1.00 61.30 C ATOM 1543 CG MET A 91 7.502 -8.257 -1.399 1.00 10.20 C ATOM 1544 SD MET A 91 5.908 -8.133 -0.604 1.00 71.21 S ATOM 1545 CE MET A 91 4.850 -8.073 -2.041 1.00 3.14 C ATOM 0 H MET A 91 9.642 -8.348 -3.020 1.00 32.43 H new ATOM 0 HA MET A 91 7.265 -7.578 -3.965 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.802 -6.541 -1.542 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.108 -6.174 -1.802 1.00 61.30 H new ATOM 0 HG2 MET A 91 7.472 -9.021 -2.176 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.256 -8.567 -0.675 1.00 10.20 H new ATOM 0 HE1 MET A 91 3.810 -7.994 -1.724 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.111 -7.207 -2.649 1.00 3.14 H new ATOM 0 HE3 MET A 91 4.983 -8.981 -2.629 1.00 3.14 H new ATOM 1555 N SER A 92 9.346 -5.088 -4.210 1.00 61.22 N ATOM 1556 CA SER A 92 9.540 -3.764 -4.778 1.00 10.22 C ATOM 1557 C SER A 92 9.253 -3.792 -6.281 1.00 3.55 C ATOM 1558 O SER A 92 8.448 -3.005 -6.777 1.00 30.35 O ATOM 1559 CB SER A 92 10.959 -3.255 -4.519 1.00 12.35 C ATOM 1560 OG SER A 92 11.395 -2.348 -5.527 1.00 55.11 O ATOM 0 H SER A 92 10.199 -5.541 -3.881 1.00 61.22 H new ATOM 0 HA SER A 92 8.844 -3.080 -4.294 1.00 10.22 H new ATOM 0 HB2 SER A 92 10.995 -2.762 -3.548 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.644 -4.101 -4.472 1.00 12.35 H new ATOM 0 HG SER A 92 12.305 -2.045 -5.324 1.00 55.11 H new ATOM 1566 N ALA A 93 9.927 -4.706 -6.962 1.00 51.43 N ATOM 1567 CA ALA A 93 9.755 -4.847 -8.399 1.00 44.32 C ATOM 1568 C ALA A 93 8.312 -5.259 -8.696 1.00 70.44 C ATOM 1569 O ALA A 93 7.870 -5.205 -9.844 1.00 35.31 O ATOM 1570 CB ALA A 93 10.773 -5.854 -8.939 1.00 51.33 C ATOM 0 H ALA A 93 10.593 -5.357 -6.546 1.00 51.43 H new ATOM 0 HA ALA A 93 9.938 -3.898 -8.903 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.644 -5.960 -10.016 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.782 -5.500 -8.727 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.619 -6.820 -8.459 1.00 51.33 H new ATOM 1576 N ILE A 94 7.616 -5.663 -7.644 1.00 40.34 N ATOM 1577 CA ILE A 94 6.232 -6.083 -7.778 1.00 0.42 C ATOM 1578 C ILE A 94 5.316 -4.866 -7.634 1.00 61.53 C ATOM 1579 O ILE A 94 4.343 -4.723 -8.374 1.00 44.40 O ATOM 1580 CB ILE A 94 5.917 -7.211 -6.793 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.813 -8.425 -7.044 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.431 -7.577 -6.835 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.443 -9.118 -8.356 1.00 10.40 C ATOM 0 H ILE A 94 7.985 -5.708 -6.694 1.00 40.34 H new ATOM 0 HA ILE A 94 6.055 -6.498 -8.770 1.00 0.42 H new ATOM 0 HB ILE A 94 6.133 -6.854 -5.786 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.856 -8.111 -7.076 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.717 -9.129 -6.217 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.234 -8.381 -6.126 1.00 24.34 H new ATOM 0 HG22 ILE A 94 3.834 -6.705 -6.570 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.166 -7.906 -7.840 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.095 -9.978 -8.510 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.407 -9.452 -8.311 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.563 -8.419 -9.183 1.00 10.40 H new ATOM 1595 N TYR A 95 5.659 -4.019 -6.676 1.00 51.15 N ATOM 1596 CA TYR A 95 4.881 -2.817 -6.424 1.00 20.24 C ATOM 1597 C TYR A 95 5.137 -1.762 -7.501 1.00 42.21 C ATOM 1598 O TYR A 95 4.451 -0.743 -7.554 1.00 45.41 O ATOM 1599 CB TYR A 95 5.360 -2.279 -5.075 1.00 42.53 C ATOM 1600 CG TYR A 95 4.771 -0.917 -4.703 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.176 0.218 -5.376 1.00 42.40 C ATOM 1602 CD2 TYR A 95 3.832 -0.823 -3.696 1.00 32.12 C ATOM 1603 CE1 TYR A 95 4.622 1.500 -5.027 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.276 0.460 -3.345 1.00 52.14 C ATOM 1605 CZ TYR A 95 3.699 1.557 -4.029 1.00 24.44 C ATOM 1606 OH TYR A 95 3.175 2.768 -3.699 1.00 51.50 O ATOM 0 H TYR A 95 6.466 -4.141 -6.064 1.00 51.15 H new ATOM 0 HA TYR A 95 3.815 -3.043 -6.429 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.104 -2.998 -4.297 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.447 -2.201 -5.092 1.00 42.53 H new ATOM 0 HD1 TYR A 95 5.909 0.144 -6.165 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.513 -1.711 -3.171 1.00 32.12 H new ATOM 0 HE1 TYR A 95 4.932 2.396 -5.545 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.542 0.548 -2.558 1.00 52.14 H new ATOM 0 HH TYR A 95 2.292 2.643 -3.293 1.00 51.50 H new ATOM 1616 N GLN A 96 6.129 -2.041 -8.335 1.00 41.34 N ATOM 1617 CA GLN A 96 6.486 -1.129 -9.408 1.00 40.14 C ATOM 1618 C GLN A 96 5.910 -1.621 -10.736 1.00 73.33 C ATOM 1619 O GLN A 96 5.959 -0.910 -11.740 1.00 35.05 O ATOM 1620 CB GLN A 96 8.002 -0.955 -9.497 1.00 62.44 C ATOM 1621 CG GLN A 96 8.423 -0.523 -10.905 1.00 73.05 C ATOM 1622 CD GLN A 96 7.810 0.830 -11.269 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.152 1.478 -10.471 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.063 1.219 -12.516 1.00 34.13 N ATOM 0 H GLN A 96 6.697 -2.887 -8.289 1.00 41.34 H new ATOM 0 HA GLN A 96 6.055 -0.153 -9.188 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.329 -0.211 -8.771 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.495 -1.892 -9.237 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.510 -0.461 -10.960 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.109 -1.275 -11.629 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.621 0.627 -13.131 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.699 2.109 -12.856 1.00 34.13 H new ATOM 1633 N GLU A 97 5.379 -2.835 -10.701 1.00 32.44 N ATOM 1634 CA GLU A 97 4.795 -3.430 -11.890 1.00 2.21 C ATOM 1635 C GLU A 97 3.307 -3.708 -11.669 1.00 41.50 C ATOM 1636 O GLU A 97 2.594 -4.073 -12.603 1.00 31.31 O ATOM 1637 CB GLU A 97 5.538 -4.708 -12.286 1.00 65.22 C ATOM 1638 CG GLU A 97 4.912 -5.935 -11.619 1.00 55.53 C ATOM 1639 CD GLU A 97 5.742 -7.191 -11.889 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.178 -8.280 -12.073 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.020 -7.007 -11.909 1.00 70.13 O ATOM 0 H GLU A 97 5.341 -3.422 -9.868 1.00 32.44 H new ATOM 0 HA GLU A 97 4.894 -2.721 -12.712 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.514 -4.826 -13.369 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.586 -4.628 -11.998 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.836 -5.770 -10.544 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.898 -6.078 -11.992 1.00 55.53 H new ATOM 1649 N HIS A 98 2.882 -3.525 -10.429 1.00 3.52 N ATOM 1650 CA HIS A 98 1.491 -3.750 -10.072 1.00 21.22 C ATOM 1651 C HIS A 98 0.944 -2.524 -9.339 1.00 61.24 C ATOM 1652 O HIS A 98 -0.111 -2.594 -8.708 1.00 1.42 O ATOM 1653 CB HIS A 98 1.339 -5.041 -9.265 1.00 32.21 C ATOM 1654 CG HIS A 98 1.653 -6.294 -10.046 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.131 -6.544 -11.304 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.440 -7.365 -9.737 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.588 -7.715 -11.722 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.398 -8.222 -10.750 1.00 24.24 N ATOM 0 H HIS A 98 3.476 -3.223 -9.657 1.00 3.52 H new ATOM 0 HA HIS A 98 0.897 -3.884 -10.976 1.00 21.22 H new ATOM 0 HB2 HIS A 98 1.995 -4.993 -8.396 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.317 -5.105 -8.891 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.002 -7.494 -8.824 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.359 -8.185 -12.667 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.891 -9.114 -10.794 1.00 24.24 H new ATOM 1667 N LYS A 99 1.684 -1.431 -9.445 1.00 12.51 N ATOM 1668 CA LYS A 99 1.285 -0.192 -8.799 1.00 13.43 C ATOM 1669 C LYS A 99 -0.123 0.188 -9.260 1.00 32.40 C ATOM 1670 O LYS A 99 -0.552 -0.203 -10.344 1.00 3.15 O ATOM 1671 CB LYS A 99 2.329 0.900 -9.047 1.00 4.34 C ATOM 1672 CG LYS A 99 2.455 1.210 -10.540 1.00 4.14 C ATOM 1673 CD LYS A 99 1.930 2.612 -10.856 1.00 12.25 C ATOM 1674 CE LYS A 99 1.810 2.825 -12.366 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.601 3.620 -12.682 1.00 53.51 N ATOM 0 H LYS A 99 2.558 -1.377 -9.968 1.00 12.51 H new ATOM 0 HA LYS A 99 1.242 -0.322 -7.718 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.050 1.804 -8.507 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.295 0.580 -8.656 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.499 1.132 -10.844 1.00 4.14 H new ATOM 0 HG3 LYS A 99 1.899 0.471 -11.117 1.00 4.14 H new ATOM 0 HD2 LYS A 99 0.957 2.754 -10.387 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.600 3.359 -10.432 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.697 3.337 -12.739 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.762 1.861 -12.873 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.534 3.756 -13.711 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.244 3.117 -12.343 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.663 4.547 -12.214 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.804 0.946 -8.412 1.00 41.20 N ATOM 1690 CA ASP A 100 -2.155 1.382 -8.718 1.00 31.41 C ATOM 1691 C ASP A 100 -2.225 2.909 -8.631 1.00 24.34 C ATOM 1692 O ASP A 100 -1.274 3.554 -8.192 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.160 0.806 -7.718 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.970 -0.385 -8.231 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.094 -0.639 -7.772 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -3.396 -1.079 -9.156 1.00 2.43 O ATOM 0 H ASP A 100 -0.445 1.269 -7.514 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.403 1.033 -9.720 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.623 0.501 -6.820 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.851 1.596 -7.423 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.360 3.443 -9.058 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.567 4.880 -9.033 1.00 45.13 C ATOM 1704 C LYS A 101 -3.343 5.400 -7.612 1.00 14.41 C ATOM 1705 O LYS A 101 -2.707 6.434 -7.419 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.940 5.234 -9.608 1.00 61.03 C ATOM 1707 CG LYS A 101 -5.995 4.214 -9.176 1.00 1.14 C ATOM 1708 CD LYS A 101 -7.321 4.902 -8.842 1.00 13.14 C ATOM 1709 CE LYS A 101 -8.306 4.787 -10.007 1.00 51.00 C ATOM 1710 NZ LYS A 101 -8.717 3.379 -10.201 1.00 33.55 N ATOM 0 H LYS A 101 -4.146 2.905 -9.423 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.840 5.380 -9.673 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.233 6.229 -9.273 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.885 5.267 -10.696 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -6.150 3.486 -9.973 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.638 3.663 -8.306 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -7.754 4.451 -7.949 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -7.142 5.953 -8.614 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -9.183 5.404 -9.812 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.846 5.167 -10.919 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -9.663 3.350 -10.633 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -8.036 2.902 -10.826 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.741 2.895 -9.281 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.877 4.657 -6.653 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.744 5.030 -5.256 1.00 44.11 C ATOM 1726 C ASP A 102 -2.301 4.793 -4.805 1.00 52.35 C ATOM 1727 O ASP A 102 -1.884 5.292 -3.761 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.661 4.185 -4.370 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.730 2.701 -4.739 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -4.046 1.861 -4.136 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.537 2.417 -5.704 1.00 40.41 O ATOM 0 H ASP A 102 -4.403 3.798 -6.817 1.00 24.54 H new ATOM 0 HA ASP A 102 -4.018 6.081 -5.160 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.324 4.272 -3.337 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.667 4.602 -4.413 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.580 4.030 -5.613 1.00 12.34 N ATOM 1738 CA GLY A 103 -0.194 3.720 -5.311 1.00 1.51 C ATOM 1739 C GLY A 103 -0.088 2.461 -4.449 1.00 42.14 C ATOM 1740 O GLY A 103 0.807 1.642 -4.647 1.00 30.21 O ATOM 0 H GLY A 103 -1.931 3.617 -6.477 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.361 3.578 -6.238 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.265 4.561 -4.791 1.00 1.51 H new ATOM 1744 N PHE A 104 -1.017 2.345 -3.511 1.00 53.45 N ATOM 1745 CA PHE A 104 -1.040 1.199 -2.616 1.00 12.24 C ATOM 1746 C PHE A 104 -1.124 -0.109 -3.407 1.00 72.13 C ATOM 1747 O PHE A 104 -1.946 -0.241 -4.312 1.00 71.15 O ATOM 1748 CB PHE A 104 -2.290 1.336 -1.746 1.00 72.42 C ATOM 1749 CG PHE A 104 -2.007 1.824 -0.324 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.023 1.241 0.412 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.741 2.839 0.205 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.760 1.694 1.732 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -2.477 3.293 1.525 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.493 2.710 2.261 1.00 62.30 C ATOM 0 H PHE A 104 -1.760 3.026 -3.351 1.00 53.45 H new ATOM 0 HA PHE A 104 -0.129 1.174 -2.017 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.981 2.029 -2.226 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.792 0.370 -1.695 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.442 0.433 -0.008 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -3.524 3.300 -0.378 1.00 30.24 H new ATOM 0 HE1 PHE A 104 0.022 1.232 2.316 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -3.058 4.101 1.944 1.00 70.41 H new ATOM 0 HZ PHE A 104 -1.294 3.054 3.265 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.261 -1.043 -3.034 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.227 -2.336 -3.696 1.00 0.04 C ATOM 1766 C LEU A 105 -1.389 -3.194 -3.192 1.00 11.52 C ATOM 1767 O LEU A 105 -1.837 -3.033 -2.058 1.00 74.42 O ATOM 1768 CB LEU A 105 1.144 -2.993 -3.518 1.00 42.33 C ATOM 1769 CG LEU A 105 2.002 -3.107 -4.779 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.696 -4.400 -5.536 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.839 -1.871 -5.666 1.00 71.12 C ATOM 0 H LEU A 105 0.419 -0.930 -2.282 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.361 -2.217 -4.771 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.702 -2.426 -2.773 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.995 -3.994 -3.112 1.00 42.33 H new ATOM 0 HG LEU A 105 3.048 -3.151 -4.477 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.320 -4.456 -6.428 1.00 42.30 H new ATOM 0 HD12 LEU A 105 1.904 -5.256 -4.894 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.645 -4.412 -5.827 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.460 -1.977 -6.556 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.795 -1.771 -5.962 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.146 -0.983 -5.113 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.845 -4.085 -4.059 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.946 -4.968 -3.715 1.00 42.31 C ATOM 1785 C TYR A 106 -2.608 -6.423 -4.047 1.00 52.24 C ATOM 1786 O TYR A 106 -2.774 -6.858 -5.185 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.129 -4.523 -4.579 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.636 -3.114 -4.260 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.453 -2.906 -3.169 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.276 -2.054 -5.066 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.931 -1.581 -2.869 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.754 -0.729 -4.767 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.558 -0.557 -3.683 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.008 0.693 -3.400 1.00 44.34 O ATOM 0 H TYR A 106 -1.472 -4.215 -4.999 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.162 -4.913 -2.648 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.836 -4.564 -5.628 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.948 -5.231 -4.449 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.735 -3.737 -2.539 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.636 -2.218 -5.921 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.571 -1.404 -2.017 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.480 0.110 -5.390 1.00 41.03 H new ATOM 0 HH TYR A 106 -5.274 1.230 -3.035 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.138 -7.134 -3.032 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.774 -8.530 -3.202 1.00 40.22 C ATOM 1806 C VAL A 107 -2.835 -9.413 -2.542 1.00 71.32 C ATOM 1807 O VAL A 107 -3.719 -8.913 -1.848 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.367 -8.775 -2.653 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.331 -8.590 -1.135 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.143 -10.162 -3.049 1.00 51.41 C ATOM 0 H VAL A 107 -2.001 -6.769 -2.089 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.745 -8.791 -4.260 1.00 40.22 H new ATOM 0 HB VAL A 107 0.299 -8.035 -3.096 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.680 -8.770 -0.770 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.631 -7.572 -0.885 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.017 -9.296 -0.666 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.145 -10.310 -2.646 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.526 -10.924 -2.648 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.174 -10.242 -4.136 1.00 51.41 H new ATOM 1820 N THR A 108 -2.712 -10.711 -2.780 1.00 21.14 N ATOM 1821 CA THR A 108 -3.649 -11.667 -2.217 1.00 55.41 C ATOM 1822 C THR A 108 -2.978 -13.029 -2.037 1.00 62.50 C ATOM 1823 O THR A 108 -1.946 -13.304 -2.652 1.00 11.44 O ATOM 1824 CB THR A 108 -4.881 -11.712 -3.123 1.00 74.21 C ATOM 1825 OG1 THR A 108 -4.947 -10.404 -3.685 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.185 -11.844 -2.334 1.00 22.42 C ATOM 0 H THR A 108 -1.977 -11.122 -3.355 1.00 21.14 H new ATOM 0 HA THR A 108 -3.971 -11.364 -1.221 1.00 55.41 H new ATOM 0 HB THR A 108 -4.790 -12.548 -3.816 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.718 -10.345 -4.287 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.027 -11.871 -3.025 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.165 -12.764 -1.750 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.293 -10.991 -1.664 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.588 -13.848 -1.193 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.060 -15.175 -0.924 1.00 32.00 C ATOM 1836 C TYR A 109 -4.190 -16.199 -0.804 1.00 31.13 C ATOM 1837 O TYR A 109 -5.192 -15.950 -0.135 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.333 -15.077 0.418 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.253 -14.783 1.604 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.606 -13.480 1.898 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.730 -15.818 2.382 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.472 -13.204 3.014 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.596 -15.541 3.498 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.924 -14.248 3.759 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.743 -13.985 4.814 1.00 35.34 O ATOM 0 H TYR A 109 -4.443 -13.618 -0.686 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.403 -15.498 -1.732 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.806 -16.013 0.603 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.578 -14.294 0.354 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.232 -12.669 1.291 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.453 -16.837 2.153 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.757 -12.190 3.254 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.976 -16.342 4.114 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.989 -14.825 5.255 1.00 35.34 H new ATOM 1855 N SER A 110 -3.993 -17.331 -1.463 1.00 65.21 N ATOM 1856 CA SER A 110 -4.983 -18.395 -1.439 1.00 13.24 C ATOM 1857 C SER A 110 -4.294 -19.747 -1.244 1.00 41.23 C ATOM 1858 O SER A 110 -3.108 -19.891 -1.537 1.00 40.25 O ATOM 1859 CB SER A 110 -5.814 -18.403 -2.724 1.00 42.53 C ATOM 1860 OG SER A 110 -6.890 -19.334 -2.657 1.00 73.50 O ATOM 0 H SER A 110 -3.162 -17.535 -2.018 1.00 65.21 H new ATOM 0 HA SER A 110 -5.658 -18.215 -0.603 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.210 -17.404 -2.906 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.172 -18.651 -3.569 1.00 42.53 H new ATOM 0 HG SER A 110 -7.569 -19.098 -3.323 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.068 -20.703 -0.750 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.547 -22.038 -0.512 1.00 10.15 C ATOM 1868 C GLY A 111 -4.615 -22.889 -1.782 1.00 11.13 C ATOM 1869 O GLY A 111 -4.259 -24.066 -1.765 1.00 34.05 O ATOM 0 H GLY A 111 -6.051 -20.579 -0.508 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.515 -21.973 -0.169 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.118 -22.518 0.283 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.075 -22.259 -2.852 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.196 -22.943 -4.128 1.00 65.25 C ATOM 1875 C GLU A 112 -4.371 -22.223 -5.197 1.00 62.14 C ATOM 1876 O GLU A 112 -4.551 -21.027 -5.426 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.661 -23.057 -4.553 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.248 -21.682 -4.875 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.753 -21.648 -4.596 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.373 -20.578 -4.676 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.276 -22.785 -4.286 1.00 41.42 O ATOM 0 H GLU A 112 -5.369 -21.282 -2.862 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.805 -23.954 -4.014 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.740 -23.704 -5.427 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.239 -23.525 -3.756 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.747 -20.920 -4.278 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.063 -21.440 -5.922 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.482 -22.980 -5.824 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.629 -22.429 -6.862 1.00 34.31 C ATOM 1891 C ASN A 113 -3.359 -22.495 -8.204 1.00 20.23 C ATOM 1892 O ASN A 113 -2.830 -23.029 -9.177 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.331 -23.228 -6.990 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.470 -22.698 -8.139 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.058 -23.424 -9.027 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.223 -21.392 -8.071 1.00 31.33 N ATOM 0 H ASN A 113 -3.334 -23.971 -5.632 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.393 -21.399 -6.593 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.772 -23.172 -6.056 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.563 -24.279 -7.160 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.342 -20.942 -8.791 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.599 -20.841 -7.299 1.00 31.33 H new ATOM 1903 N THR A 114 -4.564 -21.943 -8.214 1.00 2.32 N ATOM 1904 CA THR A 114 -5.373 -21.932 -9.420 1.00 50.23 C ATOM 1905 C THR A 114 -5.412 -20.527 -10.024 1.00 72.55 C ATOM 1906 O THR A 114 -4.692 -19.635 -9.576 1.00 12.33 O ATOM 1907 CB THR A 114 -6.757 -22.479 -9.067 1.00 73.22 C ATOM 1908 OG1 THR A 114 -6.485 -23.574 -8.196 1.00 70.52 O ATOM 1909 CG2 THR A 114 -7.456 -23.123 -10.267 1.00 53.33 C ATOM 0 H THR A 114 -4.999 -21.500 -7.405 1.00 2.32 H new ATOM 0 HA THR A 114 -4.942 -22.571 -10.190 1.00 50.23 H new ATOM 0 HB THR A 114 -7.377 -21.673 -8.675 1.00 73.22 H new ATOM 0 HG1 THR A 114 -7.329 -23.987 -7.916 1.00 70.52 H new ATOM 0 HG21 THR A 114 -8.434 -23.495 -9.962 1.00 53.33 H new ATOM 0 HG22 THR A 114 -7.580 -22.382 -11.057 1.00 53.33 H new ATOM 0 HG23 THR A 114 -6.853 -23.951 -10.638 1.00 53.33 H new ATOM 1917 N PHE A 115 -6.258 -20.373 -11.031 1.00 31.21 N ATOM 1918 CA PHE A 115 -6.400 -19.091 -11.701 1.00 74.33 C ATOM 1919 C PHE A 115 -7.775 -18.478 -11.426 1.00 52.11 C ATOM 1920 O PHE A 115 -8.753 -18.815 -12.092 1.00 2.34 O ATOM 1921 CB PHE A 115 -6.262 -19.353 -13.202 1.00 71.32 C ATOM 1922 CG PHE A 115 -6.983 -20.614 -13.682 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -6.396 -21.831 -13.534 1.00 71.13 C ATOM 1924 CD2 PHE A 115 -8.212 -20.517 -14.257 1.00 42.14 C ATOM 1925 CE1 PHE A 115 -7.065 -23.002 -13.980 1.00 73.42 C ATOM 1926 CE2 PHE A 115 -8.881 -21.687 -14.704 1.00 70.23 C ATOM 1927 CZ PHE A 115 -8.293 -22.904 -14.556 1.00 24.02 C ATOM 0 H PHE A 115 -6.853 -21.115 -11.400 1.00 31.21 H new ATOM 0 HA PHE A 115 -5.643 -18.396 -11.338 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -6.652 -18.494 -13.748 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -5.204 -19.435 -13.450 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -5.420 -21.908 -13.077 1.00 71.13 H new ATOM 0 HD2 PHE A 115 -8.679 -19.550 -14.374 1.00 42.14 H new ATOM 0 HE1 PHE A 115 -6.599 -23.969 -13.862 1.00 73.42 H new ATOM 0 HE2 PHE A 115 -9.856 -21.610 -15.161 1.00 70.23 H new ATOM 0 HZ PHE A 115 -8.802 -23.794 -14.896 1.00 24.02 H new ATOM 1937 N GLY A 116 -7.806 -17.590 -10.444 1.00 41.22 N ATOM 1938 CA GLY A 116 -9.045 -16.927 -10.073 1.00 63.52 C ATOM 1939 C GLY A 116 -8.988 -16.425 -8.629 1.00 53.54 C ATOM 1940 O GLY A 116 -10.018 -16.311 -7.966 1.00 21.00 O ATOM 0 H GLY A 116 -6.993 -17.314 -9.893 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -9.229 -16.089 -10.746 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -9.880 -17.618 -10.189 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 22.518 30.563 14.062 1.00 75.34 N ATOM 1946 CA GLY B 597 21.265 30.512 14.796 1.00 34.21 C ATOM 1947 C GLY B 597 20.103 31.012 13.935 1.00 23.30 C ATOM 1948 O GLY B 597 19.625 32.129 14.122 1.00 40.31 O ATOM 0 HA2 GLY B 597 21.070 29.489 15.118 1.00 34.21 H new ATOM 0 HA3 GLY B 597 21.342 31.120 15.697 1.00 34.21 H new ATOM 1952 N PRO B 598 19.674 30.138 12.987 1.00 62.55 N ATOM 1953 CA PRO B 598 18.579 30.480 12.095 1.00 62.45 C ATOM 1954 C PRO B 598 17.236 30.402 12.824 1.00 14.31 C ATOM 1955 O PRO B 598 17.195 30.222 14.040 1.00 53.31 O ATOM 1956 CB PRO B 598 18.686 29.495 10.942 1.00 22.45 C ATOM 1957 CG PRO B 598 19.546 28.350 11.453 1.00 50.22 C ATOM 1958 CD PRO B 598 20.218 28.807 12.736 1.00 31.51 C ATOM 0 HA PRO B 598 18.638 31.506 11.731 1.00 62.45 H new ATOM 0 HB2 PRO B 598 17.701 29.139 10.639 1.00 22.45 H new ATOM 0 HB3 PRO B 598 19.138 29.964 10.068 1.00 22.45 H new ATOM 0 HG2 PRO B 598 18.935 27.466 11.636 1.00 50.22 H new ATOM 0 HG3 PRO B 598 20.293 28.072 10.709 1.00 50.22 H new ATOM 0 HD2 PRO B 598 20.000 28.128 13.561 1.00 31.51 H new ATOM 0 HD3 PRO B 598 21.302 28.837 12.626 1.00 31.51 H new ATOM 1966 N HIS B 599 16.170 30.541 12.049 1.00 20.43 N ATOM 1967 CA HIS B 599 14.828 30.490 12.605 1.00 24.33 C ATOM 1968 C HIS B 599 14.052 29.338 11.964 1.00 13.23 C ATOM 1969 O HIS B 599 14.553 28.674 11.058 1.00 43.53 O ATOM 1970 CB HIS B 599 14.123 31.839 12.451 1.00 5.22 C ATOM 1971 CG HIS B 599 12.885 31.986 13.303 1.00 61.33 C ATOM 1972 ND1 HIS B 599 12.904 31.865 14.681 1.00 2.12 N ATOM 1973 CD2 HIS B 599 11.591 32.246 12.958 1.00 14.25 C ATOM 1974 CE1 HIS B 599 11.673 32.045 15.135 1.00 22.11 C ATOM 1975 NE2 HIS B 599 10.860 32.281 14.065 1.00 14.21 N ATOM 0 H HIS B 599 16.208 30.689 11.041 1.00 20.43 H new ATOM 0 HA HIS B 599 14.881 30.296 13.676 1.00 24.33 H new ATOM 0 HB2 HIS B 599 14.823 32.634 12.706 1.00 5.22 H new ATOM 0 HB3 HIS B 599 13.850 31.977 11.405 1.00 5.22 H new ATOM 0 HD2 HIS B 599 11.224 32.398 11.954 1.00 14.25 H new ATOM 0 HE1 HIS B 599 11.367 32.011 16.170 1.00 22.11 H new ATOM 0 HE2 HIS B 599 9.856 32.456 14.109 1.00 14.21 H new ATOM 1984 N MET B 600 12.839 29.137 12.459 1.00 35.21 N ATOM 1985 CA MET B 600 11.989 28.077 11.946 1.00 63.23 C ATOM 1986 C MET B 600 10.522 28.514 11.924 1.00 12.44 C ATOM 1987 O MET B 600 10.151 29.490 12.574 1.00 13.20 O ATOM 1988 CB MET B 600 12.136 26.833 12.824 1.00 40.24 C ATOM 1989 CG MET B 600 13.609 26.548 13.126 1.00 42.43 C ATOM 1990 SD MET B 600 14.155 27.551 14.499 1.00 51.21 S ATOM 1991 CE MET B 600 13.037 26.977 15.767 1.00 71.31 C ATOM 0 H MET B 600 12.425 29.690 13.209 1.00 35.21 H new ATOM 0 HA MET B 600 12.299 27.851 10.926 1.00 63.23 H new ATOM 0 HB2 MET B 600 11.590 26.975 13.757 1.00 40.24 H new ATOM 0 HB3 MET B 600 11.691 25.974 12.322 1.00 40.24 H new ATOM 0 HG2 MET B 600 13.743 25.492 13.360 1.00 42.43 H new ATOM 0 HG3 MET B 600 14.217 26.759 12.246 1.00 42.43 H new ATOM 0 HE1 MET B 600 13.555 26.953 16.725 1.00 71.31 H new ATOM 0 HE2 MET B 600 12.184 27.652 15.833 1.00 71.31 H new ATOM 0 HE3 MET B 600 12.688 25.975 15.518 1.00 71.31 H new ATOM 2001 N ILE B 601 9.728 27.769 11.168 1.00 63.02 N ATOM 2002 CA ILE B 601 8.310 28.068 11.053 1.00 4.30 C ATOM 2003 C ILE B 601 7.525 26.758 10.946 1.00 60.31 C ATOM 2004 O ILE B 601 8.101 25.705 10.680 1.00 72.44 O ATOM 2005 CB ILE B 601 8.059 29.032 9.892 1.00 25.01 C ATOM 2006 CG1 ILE B 601 8.649 30.411 10.187 1.00 55.25 C ATOM 2007 CG2 ILE B 601 6.568 29.107 9.553 1.00 53.51 C ATOM 2008 CD1 ILE B 601 7.789 31.170 11.201 1.00 12.21 C ATOM 0 H ILE B 601 10.039 26.960 10.630 1.00 63.02 H new ATOM 0 HA ILE B 601 7.954 28.582 11.946 1.00 4.30 H new ATOM 0 HB ILE B 601 8.570 28.645 9.011 1.00 25.01 H new ATOM 0 HG12 ILE B 601 9.662 30.302 10.574 1.00 55.25 H new ATOM 0 HG13 ILE B 601 8.720 30.985 9.263 1.00 55.25 H new ATOM 0 HG21 ILE B 601 6.418 29.799 8.724 1.00 53.51 H new ATOM 0 HG22 ILE B 601 6.209 28.118 9.269 1.00 53.51 H new ATOM 0 HG23 ILE B 601 6.014 29.458 10.424 1.00 53.51 H new ATOM 0 HD11 ILE B 601 8.231 32.148 11.393 1.00 12.21 H new ATOM 0 HD12 ILE B 601 6.783 31.299 10.801 1.00 12.21 H new ATOM 0 HD13 ILE B 601 7.740 30.605 12.132 1.00 12.21 H new ATOM 2020 N SER B 602 6.222 26.868 11.159 1.00 24.53 N ATOM 2021 CA SER B 602 5.352 25.706 11.090 1.00 44.02 C ATOM 2022 C SER B 602 3.913 26.145 10.807 1.00 51.34 C ATOM 2023 O SER B 602 3.653 27.328 10.588 1.00 54.12 O ATOM 2024 CB SER B 602 5.414 24.894 12.386 1.00 55.44 C ATOM 2025 OG SER B 602 6.728 24.410 12.649 1.00 51.42 O ATOM 0 H SER B 602 5.748 27.744 11.379 1.00 24.53 H new ATOM 0 HA SER B 602 5.697 25.068 10.276 1.00 44.02 H new ATOM 0 HB2 SER B 602 5.082 25.514 13.219 1.00 55.44 H new ATOM 0 HB3 SER B 602 4.724 24.053 12.320 1.00 55.44 H new ATOM 0 HG SER B 602 7.327 24.679 11.922 1.00 51.42 H new ATOM 2031 N GLY B 603 3.017 25.170 10.823 1.00 22.21 N ATOM 2032 CA GLY B 603 1.611 25.441 10.570 1.00 23.01 C ATOM 2033 C GLY B 603 0.976 24.320 9.746 1.00 13.24 C ATOM 2034 O GLY B 603 -0.247 24.234 9.647 1.00 71.31 O ATOM 0 H GLY B 603 3.236 24.191 11.007 1.00 22.21 H new ATOM 0 HA2 GLY B 603 1.081 25.546 11.517 1.00 23.01 H new ATOM 0 HA3 GLY B 603 1.509 26.389 10.041 1.00 23.01 H new ATOM 2038 N LEU B 604 1.836 23.487 9.178 1.00 23.11 N ATOM 2039 CA LEU B 604 1.373 22.374 8.366 1.00 33.20 C ATOM 2040 C LEU B 604 0.147 21.741 9.027 1.00 61.43 C ATOM 2041 O LEU B 604 0.222 21.275 10.163 1.00 44.14 O ATOM 2042 CB LEU B 604 2.514 21.386 8.111 1.00 63.33 C ATOM 2043 CG LEU B 604 2.444 20.607 6.797 1.00 32.33 C ATOM 2044 CD1 LEU B 604 3.846 20.250 6.296 1.00 3.42 C ATOM 2045 CD2 LEU B 604 1.556 19.369 6.940 1.00 62.25 C ATOM 0 H LEU B 604 2.850 23.560 9.264 1.00 23.11 H new ATOM 0 HA LEU B 604 1.060 22.724 7.383 1.00 33.20 H new ATOM 0 HB2 LEU B 604 3.456 21.935 8.136 1.00 63.33 H new ATOM 0 HB3 LEU B 604 2.540 20.671 8.933 1.00 63.33 H new ATOM 0 HG LEU B 604 1.985 21.248 6.044 1.00 32.33 H new ATOM 0 HD11 LEU B 604 3.768 19.696 5.360 1.00 3.42 H new ATOM 0 HD12 LEU B 604 4.417 21.164 6.131 1.00 3.42 H new ATOM 0 HD13 LEU B 604 4.353 19.635 7.040 1.00 3.42 H new ATOM 0 HD21 LEU B 604 1.523 18.833 5.991 1.00 62.25 H new ATOM 0 HD22 LEU B 604 1.964 18.716 7.712 1.00 62.25 H new ATOM 0 HD23 LEU B 604 0.548 19.675 7.219 1.00 62.25 H new ATOM 2057 N SER B 605 -0.951 21.743 8.288 1.00 60.21 N ATOM 2058 CA SER B 605 -2.192 21.174 8.788 1.00 72.42 C ATOM 2059 C SER B 605 -2.556 19.925 7.984 1.00 55.33 C ATOM 2060 O SER B 605 -1.800 19.501 7.110 1.00 51.11 O ATOM 2061 CB SER B 605 -3.330 22.195 8.726 1.00 73.05 C ATOM 2062 OG SER B 605 -3.052 23.353 9.510 1.00 72.33 O ATOM 0 H SER B 605 -1.008 22.130 7.346 1.00 60.21 H new ATOM 0 HA SER B 605 -2.045 20.897 9.832 1.00 72.42 H new ATOM 0 HB2 SER B 605 -3.496 22.490 7.690 1.00 73.05 H new ATOM 0 HB3 SER B 605 -4.252 21.732 9.078 1.00 73.05 H new ATOM 0 HG SER B 605 -2.089 23.536 9.493 1.00 72.33 H new ATOM 2068 N VAL B 606 -3.714 19.369 8.307 1.00 13.10 N ATOM 2069 CA VAL B 606 -4.188 18.176 7.626 1.00 10.05 C ATOM 2070 C VAL B 606 -5.686 18.003 7.892 1.00 33.11 C ATOM 2071 O VAL B 606 -6.233 18.618 8.806 1.00 74.11 O ATOM 2072 CB VAL B 606 -3.360 16.964 8.058 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -4.145 15.666 7.857 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -2.026 16.918 7.311 1.00 64.30 C ATOM 0 H VAL B 606 -4.339 19.723 9.032 1.00 13.10 H new ATOM 0 HA VAL B 606 -4.059 18.274 6.548 1.00 10.05 H new ATOM 0 HB VAL B 606 -3.145 17.066 9.122 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -3.535 14.819 8.171 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -5.057 15.697 8.453 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -4.403 15.556 6.804 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -1.457 16.047 7.636 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -2.211 16.851 6.239 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -1.458 17.823 7.525 1.00 64.30 H new ATOM 2084 N ILE B 607 -6.304 17.162 7.076 1.00 53.13 N ATOM 2085 CA ILE B 607 -7.728 16.900 7.213 1.00 52.11 C ATOM 2086 C ILE B 607 -7.930 15.518 7.839 1.00 71.45 C ATOM 2087 O ILE B 607 -6.993 14.725 7.919 1.00 12.45 O ATOM 2088 CB ILE B 607 -8.434 17.075 5.868 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -8.280 18.505 5.349 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -9.903 16.656 5.962 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -9.222 19.460 6.084 1.00 71.40 C ATOM 0 H ILE B 607 -5.847 16.654 6.319 1.00 53.13 H new ATOM 0 HA ILE B 607 -8.187 17.625 7.886 1.00 52.11 H new ATOM 0 HB ILE B 607 -7.955 16.416 5.143 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -7.249 18.834 5.479 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -8.491 18.532 4.280 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -10.382 16.790 4.992 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -9.964 15.608 6.255 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -10.410 17.271 6.705 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -9.092 20.470 5.695 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -10.254 19.143 5.932 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -8.993 19.449 7.150 1.00 71.40 H new ATOM 2103 N LYS B 608 -9.160 15.273 8.267 1.00 54.41 N ATOM 2104 CA LYS B 608 -9.498 14.001 8.884 1.00 40.33 C ATOM 2105 C LYS B 608 -10.818 13.492 8.304 1.00 31.41 C ATOM 2106 O LYS B 608 -11.666 14.284 7.896 1.00 62.21 O ATOM 2107 CB LYS B 608 -9.503 14.131 10.408 1.00 33.02 C ATOM 2108 CG LYS B 608 -10.408 15.279 10.858 1.00 2.52 C ATOM 2109 CD LYS B 608 -9.912 15.887 12.172 1.00 35.40 C ATOM 2110 CE LYS B 608 -8.921 17.022 11.910 1.00 71.52 C ATOM 2111 NZ LYS B 608 -7.589 16.478 11.560 1.00 1.31 N ATOM 0 H LYS B 608 -9.934 15.933 8.199 1.00 54.41 H new ATOM 0 HA LYS B 608 -8.741 13.252 8.654 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -9.845 13.197 10.855 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -8.488 14.302 10.765 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -10.437 16.048 10.086 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -11.428 14.915 10.984 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -10.759 16.264 12.745 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -9.436 15.116 12.777 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -9.287 17.652 11.100 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -8.841 17.654 12.794 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -6.864 17.208 11.715 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -7.383 15.653 12.158 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -7.583 16.191 10.560 1.00 1.31 H new ATOM 2125 N GLN B 609 -10.951 12.175 8.285 1.00 50.12 N ATOM 2126 CA GLN B 609 -12.155 11.551 7.762 1.00 30.54 C ATOM 2127 C GLN B 609 -12.702 10.531 8.762 1.00 50.42 C ATOM 2128 O GLN B 609 -12.185 10.404 9.871 1.00 51.34 O ATOM 2129 CB GLN B 609 -11.889 10.899 6.403 1.00 75.51 C ATOM 2130 CG GLN B 609 -11.806 11.953 5.297 1.00 42.52 C ATOM 2131 CD GLN B 609 -10.504 12.749 5.395 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -9.603 12.426 6.154 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -10.453 13.805 4.587 1.00 24.14 N ATOM 0 H GLN B 609 -10.245 11.522 8.623 1.00 50.12 H new ATOM 0 HA GLN B 609 -12.908 12.326 7.615 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -10.958 10.334 6.443 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -12.683 10.189 6.175 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -11.868 11.468 4.323 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -12.657 12.630 5.371 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -11.242 14.019 3.977 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -9.625 14.401 4.578 1.00 24.14 H new ATOM 2142 N GLU B 610 -13.742 9.829 8.334 1.00 74.31 N ATOM 2143 CA GLU B 610 -14.363 8.823 9.178 1.00 25.44 C ATOM 2144 C GLU B 610 -13.297 7.928 9.812 1.00 44.11 C ATOM 2145 O GLU B 610 -12.120 8.024 9.473 1.00 14.02 O ATOM 2146 CB GLU B 610 -15.377 7.994 8.386 1.00 15.33 C ATOM 2147 CG GLU B 610 -16.689 8.759 8.204 1.00 10.24 C ATOM 2148 CD GLU B 610 -17.613 8.559 9.405 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -17.733 7.435 9.915 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -18.219 9.624 9.810 1.00 64.00 O ATOM 0 H GLU B 610 -14.169 9.937 7.414 1.00 74.31 H new ATOM 0 HA GLU B 610 -14.903 9.331 9.977 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -14.962 7.740 7.411 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -15.569 7.055 8.905 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -16.480 9.821 8.075 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -17.188 8.420 7.296 1.00 10.24 H new ATOM 2158 N VAL B 611 -13.749 7.077 10.722 1.00 40.31 N ATOM 2159 CA VAL B 611 -12.849 6.166 11.406 1.00 23.14 C ATOM 2160 C VAL B 611 -13.659 5.027 12.030 1.00 74.53 C ATOM 2161 O VAL B 611 -14.669 5.269 12.689 1.00 54.30 O ATOM 2162 CB VAL B 611 -12.005 6.930 12.429 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -12.771 8.138 12.975 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -11.551 6.010 13.563 1.00 41.14 C ATOM 0 H VAL B 611 -14.727 7.000 11.001 1.00 40.31 H new ATOM 0 HA VAL B 611 -12.150 5.719 10.699 1.00 23.14 H new ATOM 0 HB VAL B 611 -11.113 7.298 11.921 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -12.151 8.665 13.700 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -13.022 8.811 12.155 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -13.687 7.799 13.459 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -10.953 6.578 14.275 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -12.424 5.598 14.069 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -10.952 5.197 13.154 1.00 41.14 H new ATOM 2174 N GLU B 612 -13.184 3.812 11.803 1.00 53.42 N ATOM 2175 CA GLU B 612 -13.853 2.636 12.333 1.00 32.05 C ATOM 2176 C GLU B 612 -12.968 1.948 13.375 1.00 35.50 C ATOM 2177 O GLU B 612 -13.446 1.550 14.437 1.00 5.21 O ATOM 2178 CB GLU B 612 -14.235 1.668 11.213 1.00 3.50 C ATOM 2179 CG GLU B 612 -13.066 1.458 10.249 1.00 33.52 C ATOM 2180 CD GLU B 612 -13.435 0.459 9.150 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -14.327 0.736 8.334 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -12.758 -0.639 9.159 1.00 41.42 O ATOM 0 H GLU B 612 -12.344 3.616 11.259 1.00 53.42 H new ATOM 0 HA GLU B 612 -14.775 2.955 12.820 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -14.535 0.711 11.641 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -15.095 2.057 10.668 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -12.784 2.411 9.800 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -12.197 1.095 10.799 1.00 33.52 H new ATOM 2190 N ARG B 613 -11.692 1.828 13.035 1.00 12.02 N ATOM 2191 CA ARG B 613 -10.736 1.195 13.926 1.00 41.35 C ATOM 2192 C ARG B 613 -9.429 1.990 13.953 1.00 24.23 C ATOM 2193 O ARG B 613 -8.866 2.228 15.020 1.00 43.52 O ATOM 2194 CB ARG B 613 -10.444 -0.242 13.489 1.00 13.42 C ATOM 2195 CG ARG B 613 -10.711 -0.425 11.993 1.00 61.03 C ATOM 2196 CD ARG B 613 -9.948 -1.631 11.444 1.00 71.31 C ATOM 2197 NE ARG B 613 -10.812 -2.832 11.470 1.00 61.42 N ATOM 2198 CZ ARG B 613 -10.347 -4.099 11.462 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -9.019 -4.342 11.429 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -11.210 -5.099 11.488 1.00 25.13 N ATOM 0 H ARG B 613 -11.299 2.159 12.154 1.00 12.02 H new ATOM 0 HA ARG B 613 -11.174 1.176 14.924 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -9.406 -0.489 13.710 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -11.064 -0.933 14.060 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -11.780 -0.559 11.824 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -10.413 0.474 11.454 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -9.621 -1.431 10.424 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -9.051 -1.805 12.038 1.00 71.31 H new ATOM 0 HE ARG B 613 -11.822 -2.694 11.496 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -8.359 -3.565 11.410 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -8.676 -5.303 11.423 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -12.212 -4.908 11.514 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -10.875 -6.062 11.482 1.00 25.13 H new ATOM 2214 N LEU B 614 -8.985 2.377 12.766 1.00 54.24 N ATOM 2215 CA LEU B 614 -7.754 3.139 12.641 1.00 61.12 C ATOM 2216 C LEU B 614 -8.061 4.627 12.822 1.00 40.40 C ATOM 2217 O LEU B 614 -9.127 4.989 13.314 1.00 75.01 O ATOM 2218 CB LEU B 614 -7.054 2.811 11.320 1.00 22.24 C ATOM 2219 CG LEU B 614 -6.750 1.333 11.071 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.037 0.537 10.852 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -5.767 1.163 9.910 1.00 23.23 C ATOM 0 H LEU B 614 -9.455 2.177 11.883 1.00 54.24 H new ATOM 0 HA LEU B 614 -7.051 2.860 13.426 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -7.675 3.176 10.502 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -6.117 3.366 11.281 1.00 22.24 H new ATOM 0 HG LEU B 614 -6.270 0.929 11.962 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -7.792 -0.511 10.677 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -8.670 0.619 11.735 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -8.568 0.934 9.987 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -5.568 0.103 9.754 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -6.197 1.589 9.004 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -4.835 1.677 10.145 1.00 23.23 H new ATOM 2233 N GLY B 615 -7.106 5.449 12.412 1.00 40.14 N ATOM 2234 CA GLY B 615 -7.260 6.890 12.523 1.00 55.23 C ATOM 2235 C GLY B 615 -6.271 7.619 11.612 1.00 22.31 C ATOM 2236 O GLY B 615 -6.060 7.216 10.468 1.00 54.11 O ATOM 0 H GLY B 615 -6.223 5.145 12.002 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -8.279 7.172 12.258 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -7.102 7.198 13.557 1.00 55.23 H new ATOM 2240 N ASN B 616 -5.690 8.680 12.151 1.00 44.14 N ATOM 2241 CA ASN B 616 -4.727 9.470 11.400 1.00 32.45 C ATOM 2242 C ASN B 616 -3.844 8.536 10.573 1.00 32.00 C ATOM 2243 O ASN B 616 -3.980 8.467 9.352 1.00 44.11 O ATOM 2244 CB ASN B 616 -3.821 10.269 12.338 1.00 34.14 C ATOM 2245 CG ASN B 616 -3.675 9.568 13.690 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -4.603 9.480 14.478 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -2.461 9.075 13.915 1.00 63.11 N ATOM 0 H ASN B 616 -5.867 9.012 13.099 1.00 44.14 H new ATOM 0 HA ASN B 616 -5.280 10.157 10.760 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -2.839 10.394 11.882 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -4.234 11.267 12.485 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -2.262 8.589 14.789 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -1.729 9.183 13.213 1.00 63.11 H new ATOM 2254 N ASP B 617 -2.957 7.838 11.269 1.00 35.43 N ATOM 2255 CA ASP B 617 -2.051 6.911 10.613 1.00 0.54 C ATOM 2256 C ASP B 617 -2.832 5.674 10.165 1.00 31.41 C ATOM 2257 O ASP B 617 -3.995 5.505 10.525 1.00 64.21 O ATOM 2258 CB ASP B 617 -0.945 6.454 11.566 1.00 3.41 C ATOM 2259 CG ASP B 617 0.086 5.506 10.952 1.00 34.00 C ATOM 2260 OD1 ASP B 617 1.173 5.931 10.531 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -0.267 4.266 10.914 1.00 32.53 O ATOM 0 H ASP B 617 -2.847 7.897 12.281 1.00 35.43 H new ATOM 0 HA ASP B 617 -1.603 7.422 9.761 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -0.426 7.334 11.945 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -1.405 5.961 12.423 1.00 3.41 H new ATOM 2267 N VAL B 618 -2.159 4.840 9.388 1.00 60.45 N ATOM 2268 CA VAL B 618 -2.774 3.622 8.886 1.00 71.01 C ATOM 2269 C VAL B 618 -2.463 2.469 9.842 1.00 52.14 C ATOM 2270 O VAL B 618 -2.324 1.324 9.414 1.00 72.10 O ATOM 2271 CB VAL B 618 -2.311 3.351 7.453 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -3.238 4.029 6.441 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -0.861 3.798 7.252 1.00 73.24 C ATOM 0 H VAL B 618 -1.193 4.983 9.093 1.00 60.45 H new ATOM 0 HA VAL B 618 -3.858 3.731 8.847 1.00 71.01 H new ATOM 0 HB VAL B 618 -2.357 2.275 7.283 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -2.887 3.821 5.430 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -4.251 3.644 6.560 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -3.237 5.106 6.611 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -0.556 3.594 6.225 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -0.779 4.867 7.450 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -0.213 3.252 7.938 1.00 73.24 H new ATOM 2283 N PHE B 619 -2.365 2.810 11.118 1.00 25.44 N ATOM 2284 CA PHE B 619 -2.072 1.816 12.139 1.00 11.22 C ATOM 2285 C PHE B 619 -2.382 2.359 13.536 1.00 72.23 C ATOM 2286 O PHE B 619 -1.752 3.312 13.989 1.00 20.52 O ATOM 2287 CB PHE B 619 -0.578 1.505 12.044 1.00 22.20 C ATOM 2288 CG PHE B 619 -0.174 0.770 10.764 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -0.779 -0.403 10.435 1.00 44.43 C ATOM 2290 CD2 PHE B 619 0.789 1.288 9.957 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.405 -1.085 9.247 1.00 2.14 C ATOM 2292 CE2 PHE B 619 1.163 0.606 8.770 1.00 51.22 C ATOM 2293 CZ PHE B 619 0.558 -0.567 8.439 1.00 0.11 C ATOM 0 H PHE B 619 -2.483 3.760 11.469 1.00 25.44 H new ATOM 0 HA PHE B 619 -2.682 0.927 11.981 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -0.019 2.438 12.106 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -0.288 0.901 12.904 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.543 -0.815 11.077 1.00 44.43 H new ATOM 0 HD2 PHE B 619 1.270 2.219 10.219 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -0.886 -2.016 8.985 1.00 2.14 H new ATOM 0 HE2 PHE B 619 1.928 1.018 8.129 1.00 51.22 H new ATOM 0 HZ PHE B 619 0.842 -1.086 7.536 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.352 1.726 14.180 1.00 25.21 N ATOM 2304 CA GLU B 620 -3.753 2.133 15.515 1.00 20.41 C ATOM 2305 C GLU B 620 -4.026 0.903 16.384 1.00 10.51 C ATOM 2306 O GLU B 620 -4.812 0.968 17.329 1.00 10.54 O ATOM 2307 CB GLU B 620 -4.975 3.051 15.465 1.00 32.30 C ATOM 2308 CG GLU B 620 -5.033 3.818 14.142 1.00 52.04 C ATOM 2309 CD GLU B 620 -3.867 4.803 14.029 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -3.284 4.951 12.945 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -3.576 5.429 15.118 1.00 53.42 O ATOM 0 H GLU B 620 -3.872 0.934 13.801 1.00 25.21 H new ATOM 0 HA GLU B 620 -2.935 2.697 15.963 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -5.883 2.460 15.587 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -4.939 3.755 16.296 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -5.003 3.116 13.309 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -5.978 4.357 14.071 1.00 52.04 H new ATOM 2319 N TRP B 621 -3.362 -0.188 16.035 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.523 -1.431 16.772 1.00 24.13 C ATOM 2321 C TRP B 621 -2.131 -2.010 17.031 1.00 42.02 C ATOM 2322 O TRP B 621 -1.127 -1.322 16.857 1.00 11.11 O ATOM 2323 CB TRP B 621 -4.442 -2.396 16.023 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.855 -2.926 14.713 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.841 -3.786 14.553 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -4.290 -2.593 13.378 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -2.591 -4.032 13.217 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -3.500 -3.282 12.480 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -5.317 -1.737 12.943 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -3.656 -3.187 11.092 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -5.459 -1.652 11.553 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -4.672 -2.340 10.636 1.00 64.22 C ATOM 0 H TRP B 621 -2.711 -0.238 15.251 1.00 11.35 H new ATOM 0 HA TRP B 621 -4.009 -1.252 17.731 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.673 -3.240 16.673 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -5.384 -1.892 15.809 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -2.288 -4.231 15.367 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -1.872 -4.650 12.841 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -5.947 -1.188 13.627 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -3.026 -3.738 10.410 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -6.234 -1.007 11.166 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -4.844 -2.221 9.576 1.00 64.22 H new ATOM 2343 N GLU B 622 -2.117 -3.270 17.443 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.865 -3.949 17.728 1.00 41.33 C ATOM 2345 C GLU B 622 -0.110 -4.238 16.430 1.00 13.42 C ATOM 2346 O GLU B 622 0.065 -5.396 16.052 1.00 1.24 O ATOM 2347 CB GLU B 622 -1.108 -5.236 18.519 1.00 62.13 C ATOM 2348 CG GLU B 622 -2.338 -5.979 17.993 1.00 34.31 C ATOM 2349 CD GLU B 622 -2.227 -7.481 18.262 1.00 41.32 C ATOM 2350 OE1 GLU B 622 -2.098 -8.272 17.316 1.00 64.15 O ATOM 2351 OE2 GLU B 622 -2.279 -7.818 19.507 1.00 44.04 O ATOM 0 H GLU B 622 -2.952 -3.837 17.586 1.00 25.53 H new ATOM 0 HA GLU B 622 -0.250 -3.293 18.344 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -0.232 -5.881 18.449 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -1.246 -4.998 19.574 1.00 62.13 H new ATOM 0 HG2 GLU B 622 -3.236 -5.586 18.469 1.00 34.31 H new ATOM 0 HG3 GLU B 622 -2.443 -5.804 16.922 1.00 34.31 H new ATOM 2359 N ASP B 623 0.319 -3.165 15.781 1.00 21.43 N ATOM 2360 CA ASP B 623 1.052 -3.288 14.532 1.00 72.32 C ATOM 2361 C ASP B 623 1.142 -1.916 13.861 1.00 14.13 C ATOM 2362 O ASP B 623 0.136 -1.373 13.411 1.00 14.44 O ATOM 2363 CB ASP B 623 0.340 -4.239 13.569 1.00 24.22 C ATOM 2364 CG ASP B 623 1.242 -5.284 12.906 1.00 54.21 C ATOM 2365 OD1 ASP B 623 2.424 -5.029 12.638 1.00 4.31 O ATOM 2366 OD2 ASP B 623 0.676 -6.418 12.665 1.00 14.51 O ATOM 0 H ASP B 623 0.173 -2.206 16.097 1.00 21.43 H new ATOM 0 HA ASP B 623 2.044 -3.679 14.759 1.00 72.32 H new ATOM 0 HB2 ASP B 623 -0.451 -4.756 14.112 1.00 24.22 H new ATOM 0 HB3 ASP B 623 -0.141 -3.649 12.789 1.00 24.22 H new ATOM 2372 N ASP B 624 2.361 -1.395 13.817 1.00 63.21 N ATOM 2373 CA ASP B 624 2.596 -0.098 13.209 1.00 2.44 C ATOM 2374 C ASP B 624 3.440 -0.276 11.945 1.00 5.53 C ATOM 2375 O ASP B 624 2.905 -0.316 10.838 1.00 43.52 O ATOM 2376 CB ASP B 624 3.360 0.826 14.161 1.00 43.24 C ATOM 2377 CG ASP B 624 3.965 2.071 13.506 1.00 11.11 C ATOM 2378 OD1 ASP B 624 3.286 2.798 12.768 1.00 61.32 O ATOM 2379 OD2 ASP B 624 5.207 2.284 13.786 1.00 24.20 O ATOM 0 H ASP B 624 3.194 -1.848 14.192 1.00 63.21 H new ATOM 0 HA ASP B 624 1.628 0.345 12.975 1.00 2.44 H new ATOM 0 HB2 ASP B 624 2.685 1.143 14.955 1.00 43.24 H new ATOM 0 HB3 ASP B 624 4.161 0.256 14.632 1.00 43.24 H new ATOM 2385 N GLU B 625 4.744 -0.379 12.152 1.00 20.02 N ATOM 2386 CA GLU B 625 5.666 -0.553 11.043 1.00 44.10 C ATOM 2387 C GLU B 625 6.456 -1.853 11.209 1.00 71.11 C ATOM 2388 O GLU B 625 7.212 -2.242 10.320 1.00 31.20 O ATOM 2389 CB GLU B 625 6.608 0.648 10.919 1.00 13.31 C ATOM 2390 CG GLU B 625 7.388 0.869 12.216 1.00 75.10 C ATOM 2391 CD GLU B 625 8.466 -0.204 12.397 1.00 32.24 C ATOM 2392 OE1 GLU B 625 8.863 -0.854 11.421 1.00 75.01 O ATOM 2393 OE2 GLU B 625 8.892 -0.349 13.606 1.00 11.44 O ATOM 0 H GLU B 625 5.184 -0.345 13.071 1.00 20.02 H new ATOM 0 HA GLU B 625 5.087 -0.616 10.121 1.00 44.10 H new ATOM 0 HB2 GLU B 625 7.303 0.486 10.095 1.00 13.31 H new ATOM 0 HB3 GLU B 625 6.033 1.542 10.679 1.00 13.31 H new ATOM 0 HG2 GLU B 625 7.851 1.856 12.203 1.00 75.10 H new ATOM 0 HG3 GLU B 625 6.704 0.849 13.064 1.00 75.10 H new ATOM 2401 N SER B 626 6.254 -2.490 12.353 1.00 3.43 N ATOM 2402 CA SER B 626 6.937 -3.738 12.646 1.00 72.44 C ATOM 2403 C SER B 626 7.127 -4.545 11.360 1.00 60.04 C ATOM 2404 O SER B 626 6.288 -4.495 10.462 1.00 70.54 O ATOM 2405 CB SER B 626 6.164 -4.559 13.679 1.00 35.15 C ATOM 2406 OG SER B 626 6.421 -4.121 15.011 1.00 4.03 O ATOM 0 H SER B 626 5.626 -2.165 13.088 1.00 3.43 H new ATOM 0 HA SER B 626 7.914 -3.503 13.067 1.00 72.44 H new ATOM 0 HB2 SER B 626 5.096 -4.487 13.474 1.00 35.15 H new ATOM 0 HB3 SER B 626 6.437 -5.610 13.584 1.00 35.15 H new ATOM 0 HG SER B 626 5.908 -4.669 15.640 1.00 4.03 H new ATOM 2412 N ASP B 627 8.235 -5.270 11.312 1.00 24.54 N ATOM 2413 CA ASP B 627 8.545 -6.086 10.152 1.00 32.12 C ATOM 2414 C ASP B 627 7.659 -7.335 10.159 1.00 14.14 C ATOM 2415 O ASP B 627 7.728 -8.154 9.245 1.00 24.25 O ATOM 2416 CB ASP B 627 10.006 -6.542 10.174 1.00 1.41 C ATOM 2417 CG ASP B 627 11.024 -5.436 10.452 1.00 61.45 C ATOM 2418 OD1 ASP B 627 12.115 -5.690 10.983 1.00 61.00 O ATOM 2419 OD2 ASP B 627 10.654 -4.252 10.095 1.00 21.33 O ATOM 0 H ASP B 627 8.929 -5.309 12.059 1.00 24.54 H new ATOM 0 HA ASP B 627 8.368 -5.485 9.260 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.118 -7.317 10.932 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.243 -7.000 9.213 1.00 1.41 H new ATOM 2425 N GLU B 628 6.851 -7.441 11.203 1.00 14.44 N ATOM 2426 CA GLU B 628 5.954 -8.576 11.343 1.00 65.14 C ATOM 2427 C GLU B 628 5.093 -8.729 10.088 1.00 32.14 C ATOM 2428 O GLU B 628 4.539 -9.798 9.837 1.00 70.04 O ATOM 2429 CB GLU B 628 5.082 -8.434 12.592 1.00 14.41 C ATOM 2430 CG GLU B 628 4.038 -7.331 12.410 1.00 3.20 C ATOM 2431 CD GLU B 628 2.927 -7.447 13.455 1.00 42.30 C ATOM 2432 OE1 GLU B 628 2.028 -8.292 13.313 1.00 1.42 O ATOM 2433 OE2 GLU B 628 3.020 -6.625 14.444 1.00 3.33 O ATOM 0 H GLU B 628 6.798 -6.760 11.960 1.00 14.44 H new ATOM 0 HA GLU B 628 6.555 -9.478 11.460 1.00 65.14 H new ATOM 0 HB2 GLU B 628 4.583 -9.380 12.801 1.00 14.41 H new ATOM 0 HB3 GLU B 628 5.709 -8.207 13.454 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.517 -6.355 12.491 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.609 -7.393 11.410 1.00 3.20 H new ATOM 2441 N ILE B 629 5.008 -7.644 9.331 1.00 24.41 N ATOM 2442 CA ILE B 629 4.224 -7.645 8.107 1.00 43.42 C ATOM 2443 C ILE B 629 5.165 -7.735 6.904 1.00 31.11 C ATOM 2444 O ILE B 629 4.837 -7.259 5.819 1.00 23.45 O ATOM 2445 CB ILE B 629 3.290 -6.433 8.069 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.999 -5.178 8.582 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.996 -6.714 8.835 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.292 -4.922 7.805 1.00 61.41 C ATOM 0 H ILE B 629 5.469 -6.759 9.542 1.00 24.41 H new ATOM 0 HA ILE B 629 3.575 -8.520 8.070 1.00 43.42 H new ATOM 0 HB ILE B 629 3.015 -6.246 7.031 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.337 -4.317 8.487 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.224 -5.291 9.642 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.350 -5.837 8.792 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.484 -7.564 8.384 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.231 -6.942 9.875 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.776 -4.024 8.190 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.962 -5.774 7.922 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.061 -4.785 6.749 1.00 61.41 H new ATOM 2460 N ALA B 630 6.314 -8.351 7.137 1.00 41.41 N ATOM 2461 CA ALA B 630 7.304 -8.508 6.086 1.00 34.31 C ATOM 2462 C ALA B 630 8.343 -9.545 6.522 1.00 73.25 C ATOM 2463 O ALA B 630 8.344 -9.983 7.671 1.00 11.20 O ATOM 2464 CB ALA B 630 7.933 -7.151 5.766 1.00 15.34 C ATOM 0 H ALA B 630 6.581 -8.747 8.038 1.00 41.41 H new ATOM 0 HA ALA B 630 6.837 -8.872 5.171 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.676 -7.271 4.977 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.158 -6.460 5.433 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.414 -6.753 6.660 1.00 15.34 H new TER 2470 ALA B 630