USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1022 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 87 ASN :FLIP amide:sc= -4.22! C(o=-11!,f=-6.6!) USER MOD Set 1.2: A 113 GLN :FLIP amide:sc= -2.34! C(o=-7.9!,f=-6.6!) USER MOD Set 2.1: A 45 THR OG1 : rot 147:sc= -0.0131 USER MOD Set 2.2: A 60 GLN : amide:sc= 0.868 X(o=1.1,f=0.88) USER MOD Set 2.3: A 78 THR OG1 : rot 180:sc= 0.248 USER MOD Set 3.1: A 76 HIS : no HD1:sc= 0.336 K(o=0.73,f=-1.8!) USER MOD Set 3.2: A 77 THR OG1 : rot -140:sc= 0.395 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 166:sc= -0.77 (180deg=-1.21) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.8 F(o=-2.7!,f=-0.8) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0506 (180deg=-0.328) USER MOD Single : A 22 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.8!) USER MOD Single : A 24 SER OG : rot 65:sc= 0.706 USER MOD Single : A 25 TYR OH : rot 0:sc= -1.1 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0117) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -3.19 X(o=-3.2,f=-2.8) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 92:sc= 0.701 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 170:sc= 0 USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.999 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.0233 F(o=-0.65,f=0.023) USER MOD Single : A 73 CYS SG : rot 150:sc= -5.43! USER MOD Single : A 82 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -8.51! C(o=-8.5!,f=-10!) USER MOD Single : A 94 CYS SG : rot 63:sc= -2.43 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 97 CYS SG : rot 28:sc= 0.193 USER MOD Single : A 99 THR OG1 : rot 108:sc= -4.35! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 16:sc= 1.25 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.772 16.415 4.591 1.00 0.00 N ATOM 2 CA GLY A 1 -17.459 16.044 4.095 1.00 0.00 C ATOM 3 C GLY A 1 -17.455 14.684 3.426 1.00 0.00 C ATOM 4 O GLY A 1 -16.852 13.738 3.931 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.722 17.352 5.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.446 16.445 3.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.090 15.714 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.117 16.796 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.749 16.041 4.922 1.00 0.00 H new ATOM 8 N SER A 2 -18.131 14.586 2.286 1.00 0.00 N ATOM 9 CA SER A 2 -18.208 13.330 1.549 1.00 0.00 C ATOM 10 C SER A 2 -16.866 12.605 1.569 1.00 0.00 C ATOM 11 O SER A 2 -15.821 13.201 1.307 1.00 0.00 O ATOM 12 CB SER A 2 -18.639 13.587 0.103 1.00 0.00 C ATOM 13 OG SER A 2 -19.311 12.463 -0.437 1.00 0.00 O ATOM 0 H SER A 2 -18.633 15.361 1.853 1.00 0.00 H new ATOM 0 HA SER A 2 -18.951 12.698 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.293 14.458 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.764 13.818 -0.505 1.00 0.00 H new ATOM 0 HG SER A 2 -19.577 12.654 -1.361 1.00 0.00 H new ATOM 19 N SER A 3 -16.902 11.314 1.883 1.00 0.00 N ATOM 20 CA SER A 3 -15.689 10.507 1.943 1.00 0.00 C ATOM 21 C SER A 3 -16.001 9.037 1.677 1.00 0.00 C ATOM 22 O SER A 3 -17.163 8.641 1.601 1.00 0.00 O ATOM 23 CB SER A 3 -15.017 10.658 3.309 1.00 0.00 C ATOM 24 OG SER A 3 -13.616 10.470 3.211 1.00 0.00 O ATOM 0 H SER A 3 -17.758 10.804 2.100 1.00 0.00 H new ATOM 0 HA SER A 3 -15.008 10.862 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.227 11.648 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.437 9.933 4.006 1.00 0.00 H new ATOM 0 HG SER A 3 -13.209 10.573 4.097 1.00 0.00 H new ATOM 30 N GLY A 4 -14.952 8.232 1.537 1.00 0.00 N ATOM 31 CA GLY A 4 -15.134 6.815 1.281 1.00 0.00 C ATOM 32 C GLY A 4 -15.928 6.551 0.018 1.00 0.00 C ATOM 33 O GLY A 4 -16.794 5.676 -0.007 1.00 0.00 O ATOM 0 H GLY A 4 -13.980 8.536 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.158 6.335 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.644 6.358 2.129 1.00 0.00 H new ATOM 37 N SER A 5 -15.636 7.310 -1.033 1.00 0.00 N ATOM 38 CA SER A 5 -16.334 7.158 -2.304 1.00 0.00 C ATOM 39 C SER A 5 -15.342 7.014 -3.455 1.00 0.00 C ATOM 40 O SER A 5 -15.507 7.624 -4.511 1.00 0.00 O ATOM 41 CB SER A 5 -17.251 8.356 -2.553 1.00 0.00 C ATOM 42 OG SER A 5 -18.097 8.592 -1.441 1.00 0.00 O ATOM 0 H SER A 5 -14.920 8.037 -1.029 1.00 0.00 H new ATOM 0 HA SER A 5 -16.938 6.252 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.649 9.243 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.856 8.176 -3.442 1.00 0.00 H new ATOM 0 HG SER A 5 -18.672 9.364 -1.625 1.00 0.00 H new ATOM 48 N SER A 6 -14.311 6.203 -3.241 1.00 0.00 N ATOM 49 CA SER A 6 -13.289 5.981 -4.257 1.00 0.00 C ATOM 50 C SER A 6 -13.909 5.944 -5.651 1.00 0.00 C ATOM 51 O SER A 6 -13.725 6.862 -6.449 1.00 0.00 O ATOM 52 CB SER A 6 -12.543 4.674 -3.984 1.00 0.00 C ATOM 53 OG SER A 6 -11.797 4.266 -5.117 1.00 0.00 O ATOM 0 H SER A 6 -14.161 5.689 -2.373 1.00 0.00 H new ATOM 0 HA SER A 6 -12.582 6.810 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.875 4.804 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.256 3.895 -3.714 1.00 0.00 H new ATOM 0 HG SER A 6 -11.328 3.429 -4.916 1.00 0.00 H new ATOM 59 N GLY A 7 -14.645 4.874 -5.936 1.00 0.00 N ATOM 60 CA GLY A 7 -15.281 4.735 -7.233 1.00 0.00 C ATOM 61 C GLY A 7 -15.613 3.294 -7.565 1.00 0.00 C ATOM 62 O GLY A 7 -16.714 2.821 -7.281 1.00 0.00 O ATOM 0 H GLY A 7 -14.812 4.101 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.195 5.329 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.623 5.139 -8.002 1.00 0.00 H new ATOM 66 N VAL A 8 -14.660 2.593 -8.171 1.00 0.00 N ATOM 67 CA VAL A 8 -14.857 1.197 -8.543 1.00 0.00 C ATOM 68 C VAL A 8 -15.160 0.340 -7.320 1.00 0.00 C ATOM 69 O VAL A 8 -15.062 0.804 -6.184 1.00 0.00 O ATOM 70 CB VAL A 8 -13.619 0.628 -9.262 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.545 0.246 -8.254 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.004 -0.567 -10.121 1.00 0.00 C ATOM 0 H VAL A 8 -13.744 2.969 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.708 1.167 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.213 1.400 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.678 -0.154 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.249 1.128 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.937 -0.510 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.117 -0.956 -10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.435 -1.344 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.736 -0.258 -10.867 1.00 0.00 H new ATOM 82 N ASP A 9 -15.528 -0.914 -7.559 1.00 0.00 N ATOM 83 CA ASP A 9 -15.844 -1.838 -6.476 1.00 0.00 C ATOM 84 C ASP A 9 -14.690 -1.925 -5.482 1.00 0.00 C ATOM 85 O ASP A 9 -13.666 -2.548 -5.759 1.00 0.00 O ATOM 86 CB ASP A 9 -16.156 -3.227 -7.037 1.00 0.00 C ATOM 87 CG ASP A 9 -15.971 -4.322 -6.006 1.00 0.00 C ATOM 88 OD1 ASP A 9 -16.918 -4.573 -5.230 1.00 0.00 O ATOM 89 OD2 ASP A 9 -14.881 -4.929 -5.974 1.00 0.00 O ATOM 0 H ASP A 9 -15.615 -1.314 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.723 -1.460 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.183 -3.246 -7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.509 -3.424 -7.892 1.00 0.00 H new ATOM 94 N GLU A 10 -14.864 -1.295 -4.324 1.00 0.00 N ATOM 95 CA GLU A 10 -13.837 -1.300 -3.290 1.00 0.00 C ATOM 96 C GLU A 10 -13.165 -2.667 -3.198 1.00 0.00 C ATOM 97 O GLU A 10 -13.739 -3.695 -3.558 1.00 0.00 O ATOM 98 CB GLU A 10 -14.442 -0.925 -1.936 1.00 0.00 C ATOM 99 CG GLU A 10 -14.871 0.529 -1.843 1.00 0.00 C ATOM 100 CD GLU A 10 -16.305 0.744 -2.287 1.00 0.00 C ATOM 101 OE1 GLU A 10 -17.216 0.182 -1.646 1.00 0.00 O ATOM 102 OE2 GLU A 10 -16.515 1.476 -3.278 1.00 0.00 O ATOM 0 H GLU A 10 -15.707 -0.775 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.083 -0.560 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.305 -1.563 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.713 -1.131 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.758 0.872 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.209 1.139 -2.457 1.00 0.00 H new ATOM 109 N PRO A 11 -11.918 -2.681 -2.704 1.00 0.00 N ATOM 110 CA PRO A 11 -11.140 -3.914 -2.552 1.00 0.00 C ATOM 111 C PRO A 11 -11.690 -4.816 -1.453 1.00 0.00 C ATOM 112 O PRO A 11 -11.129 -5.872 -1.165 1.00 0.00 O ATOM 113 CB PRO A 11 -9.743 -3.409 -2.181 1.00 0.00 C ATOM 114 CG PRO A 11 -9.976 -2.078 -1.553 1.00 0.00 C ATOM 115 CD PRO A 11 -11.171 -1.494 -2.254 1.00 0.00 C ATOM 0 HA PRO A 11 -11.162 -4.523 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.246 -4.091 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.106 -3.325 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.161 -2.178 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.104 -1.435 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.767 -0.875 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.876 -0.863 -3.093 1.00 0.00 H new ATOM 123 N GLU A 12 -12.792 -4.391 -0.842 1.00 0.00 N ATOM 124 CA GLU A 12 -13.418 -5.162 0.227 1.00 0.00 C ATOM 125 C GLU A 12 -13.299 -6.659 -0.041 1.00 0.00 C ATOM 126 O GLU A 12 -12.828 -7.417 0.808 1.00 0.00 O ATOM 127 CB GLU A 12 -14.891 -4.773 0.370 1.00 0.00 C ATOM 128 CG GLU A 12 -15.602 -4.581 -0.959 1.00 0.00 C ATOM 129 CD GLU A 12 -16.974 -3.955 -0.801 1.00 0.00 C ATOM 130 OE1 GLU A 12 -17.828 -4.560 -0.120 1.00 0.00 O ATOM 131 OE2 GLU A 12 -17.193 -2.859 -1.358 1.00 0.00 O ATOM 0 H GLU A 12 -13.269 -3.518 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.898 -4.935 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.408 -5.544 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.960 -3.850 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.991 -3.951 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.702 -5.546 -1.456 1.00 0.00 H new ATOM 138 N SER A 13 -13.729 -7.078 -1.227 1.00 0.00 N ATOM 139 CA SER A 13 -13.675 -8.486 -1.605 1.00 0.00 C ATOM 140 C SER A 13 -12.254 -9.027 -1.485 1.00 0.00 C ATOM 141 O SER A 13 -12.044 -10.160 -1.053 1.00 0.00 O ATOM 142 CB SER A 13 -14.184 -8.670 -3.036 1.00 0.00 C ATOM 143 OG SER A 13 -15.548 -8.304 -3.144 1.00 0.00 O ATOM 0 H SER A 13 -14.118 -6.464 -1.942 1.00 0.00 H new ATOM 0 HA SER A 13 -14.316 -9.045 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.587 -8.065 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.058 -9.709 -3.339 1.00 0.00 H new ATOM 0 HG SER A 13 -15.848 -8.429 -4.068 1.00 0.00 H new ATOM 149 N MET A 14 -11.281 -8.208 -1.870 1.00 0.00 N ATOM 150 CA MET A 14 -9.879 -8.603 -1.805 1.00 0.00 C ATOM 151 C MET A 14 -9.371 -8.568 -0.367 1.00 0.00 C ATOM 152 O MET A 14 -9.883 -7.818 0.465 1.00 0.00 O ATOM 153 CB MET A 14 -9.026 -7.684 -2.682 1.00 0.00 C ATOM 154 CG MET A 14 -9.255 -7.882 -4.171 1.00 0.00 C ATOM 155 SD MET A 14 -9.028 -6.363 -5.117 1.00 0.00 S ATOM 156 CE MET A 14 -7.612 -5.653 -4.281 1.00 0.00 C ATOM 0 H MET A 14 -11.438 -7.267 -2.230 1.00 0.00 H new ATOM 0 HA MET A 14 -9.798 -9.625 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 14 -9.241 -6.647 -2.424 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.973 -7.856 -2.458 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.568 -8.643 -4.542 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.265 -8.258 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.196 -4.850 -4.889 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.922 -5.254 -3.315 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.855 -6.423 -4.130 1.00 0.00 H new ATOM 166 N VAL A 15 -8.361 -9.383 -0.080 1.00 0.00 N ATOM 167 CA VAL A 15 -7.783 -9.444 1.257 1.00 0.00 C ATOM 168 C VAL A 15 -6.636 -8.452 1.406 1.00 0.00 C ATOM 169 O VAL A 15 -5.631 -8.539 0.701 1.00 0.00 O ATOM 170 CB VAL A 15 -7.270 -10.860 1.582 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.639 -10.894 2.966 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.399 -11.873 1.477 1.00 0.00 C ATOM 0 H VAL A 15 -7.926 -10.011 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.577 -9.184 1.957 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.505 -11.127 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.282 -11.902 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.801 -10.198 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.381 -10.607 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.018 -12.867 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.188 -11.612 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.801 -11.866 0.464 1.00 0.00 H new ATOM 182 N ASN A 16 -6.792 -7.509 2.329 1.00 0.00 N ATOM 183 CA ASN A 16 -5.768 -6.499 2.571 1.00 0.00 C ATOM 184 C ASN A 16 -4.738 -7.000 3.578 1.00 0.00 C ATOM 185 O ASN A 16 -5.088 -7.459 4.666 1.00 0.00 O ATOM 186 CB ASN A 16 -6.408 -5.206 3.080 1.00 0.00 C ATOM 187 CG ASN A 16 -7.372 -4.604 2.075 1.00 0.00 C ATOM 188 OD1 ASN A 16 -6.847 -3.796 1.162 1.00 0.00 O flip ATOM 189 ND2 ASN A 16 -8.575 -4.863 2.121 1.00 0.00 N flip ATOM 0 H ASN A 16 -7.618 -7.423 2.922 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.260 -6.298 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.937 -5.408 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.626 -4.482 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.935 -5.490 2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.212 -4.451 1.439 1.00 0.00 H new ATOM 196 N LEU A 17 -3.465 -6.907 3.209 1.00 0.00 N ATOM 197 CA LEU A 17 -2.382 -7.350 4.080 1.00 0.00 C ATOM 198 C LEU A 17 -2.059 -6.291 5.129 1.00 0.00 C ATOM 199 O LEU A 17 -1.997 -5.100 4.825 1.00 0.00 O ATOM 200 CB LEU A 17 -1.133 -7.664 3.255 1.00 0.00 C ATOM 201 CG LEU A 17 -1.348 -8.534 2.016 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.208 -8.347 1.027 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.481 -9.998 2.409 1.00 0.00 C ATOM 0 H LEU A 17 -3.158 -6.529 2.313 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.708 -8.255 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.684 -6.722 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.410 -8.161 3.902 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.274 -8.222 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.379 -8.974 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.160 -7.302 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.733 -8.631 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.633 -10.602 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.572 -10.323 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.333 -10.119 3.078 1.00 0.00 H new ATOM 215 N ALA A 18 -1.852 -6.733 6.365 1.00 0.00 N ATOM 216 CA ALA A 18 -1.531 -5.824 7.459 1.00 0.00 C ATOM 217 C ALA A 18 -0.023 -5.675 7.624 1.00 0.00 C ATOM 218 O ALA A 18 0.473 -4.594 7.943 1.00 0.00 O ATOM 219 CB ALA A 18 -2.160 -6.314 8.755 1.00 0.00 C ATOM 0 H ALA A 18 -1.901 -7.716 6.634 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.942 -4.844 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.912 -5.626 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.243 -6.362 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.777 -7.306 8.993 1.00 0.00 H new ATOM 225 N PHE A 19 0.703 -6.767 7.404 1.00 0.00 N ATOM 226 CA PHE A 19 2.155 -6.757 7.531 1.00 0.00 C ATOM 227 C PHE A 19 2.795 -7.707 6.522 1.00 0.00 C ATOM 228 O PHE A 19 2.527 -8.908 6.527 1.00 0.00 O ATOM 229 CB PHE A 19 2.568 -7.150 8.951 1.00 0.00 C ATOM 230 CG PHE A 19 3.944 -7.746 9.032 1.00 0.00 C ATOM 231 CD1 PHE A 19 5.027 -7.104 8.454 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.154 -8.949 9.687 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.294 -7.651 8.527 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.419 -9.501 9.764 1.00 0.00 C ATOM 235 CZ PHE A 19 6.491 -8.850 9.184 1.00 0.00 C ATOM 0 H PHE A 19 0.309 -7.669 7.137 1.00 0.00 H new ATOM 0 HA PHE A 19 2.505 -5.746 7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.524 -6.268 9.591 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.847 -7.866 9.345 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.879 -6.165 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.320 -9.461 10.143 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.130 -7.141 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.569 -10.440 10.277 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.481 -9.278 9.244 1.00 0.00 H new ATOM 245 N VAL A 20 3.642 -7.159 5.657 1.00 0.00 N ATOM 246 CA VAL A 20 4.321 -7.956 4.642 1.00 0.00 C ATOM 247 C VAL A 20 5.830 -7.954 4.861 1.00 0.00 C ATOM 248 O VAL A 20 6.462 -6.898 4.899 1.00 0.00 O ATOM 249 CB VAL A 20 4.019 -7.435 3.225 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.859 -8.173 2.194 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.536 -7.572 2.913 1.00 0.00 C ATOM 0 H VAL A 20 3.875 -6.166 5.639 1.00 0.00 H new ATOM 0 HA VAL A 20 3.944 -8.975 4.735 1.00 0.00 H new ATOM 0 HB VAL A 20 4.281 -6.378 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.632 -7.791 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.917 -8.019 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.632 -9.238 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.340 -7.199 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.247 -8.621 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.958 -6.994 3.634 1.00 0.00 H new ATOM 261 N LYS A 21 6.403 -9.144 5.005 1.00 0.00 N ATOM 262 CA LYS A 21 7.838 -9.283 5.218 1.00 0.00 C ATOM 263 C LYS A 21 8.621 -8.701 4.046 1.00 0.00 C ATOM 264 O LYS A 21 8.690 -9.301 2.974 1.00 0.00 O ATOM 265 CB LYS A 21 8.207 -10.756 5.410 1.00 0.00 C ATOM 266 CG LYS A 21 9.460 -10.966 6.241 1.00 0.00 C ATOM 267 CD LYS A 21 10.572 -10.019 5.823 1.00 0.00 C ATOM 268 CE LYS A 21 11.761 -10.101 6.769 1.00 0.00 C ATOM 269 NZ LYS A 21 12.145 -11.511 7.054 1.00 0.00 N ATOM 0 H LYS A 21 5.894 -10.028 4.978 1.00 0.00 H new ATOM 0 HA LYS A 21 8.101 -8.729 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.374 -11.271 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.348 -11.217 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.228 -10.814 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.799 -11.996 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.895 -10.260 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.192 -8.997 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.610 -9.574 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.518 -9.595 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.092 -11.533 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.457 -11.932 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.155 -12.054 6.167 1.00 0.00 H new ATOM 283 N ASN A 22 9.211 -7.528 4.257 1.00 0.00 N ATOM 284 CA ASN A 22 9.990 -6.866 3.217 1.00 0.00 C ATOM 285 C ASN A 22 11.060 -5.967 3.829 1.00 0.00 C ATOM 286 O ASN A 22 11.116 -5.791 5.046 1.00 0.00 O ATOM 287 CB ASN A 22 9.073 -6.042 2.311 1.00 0.00 C ATOM 288 CG ASN A 22 8.654 -4.732 2.950 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.889 -3.656 2.398 1.00 0.00 O ATOM 290 ND2 ASN A 22 8.030 -4.816 4.119 1.00 0.00 N ATOM 0 H ASN A 22 9.164 -7.017 5.139 1.00 0.00 H new ATOM 0 HA ASN A 22 10.483 -7.635 2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.585 -5.837 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.185 -6.626 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.724 -3.968 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.856 -5.729 4.540 1.00 0.00 H new ATOM 297 N ASP A 23 11.907 -5.400 2.977 1.00 0.00 N ATOM 298 CA ASP A 23 12.975 -4.518 3.432 1.00 0.00 C ATOM 299 C ASP A 23 13.285 -3.454 2.384 1.00 0.00 C ATOM 300 O ASP A 23 13.589 -3.772 1.234 1.00 0.00 O ATOM 301 CB ASP A 23 14.235 -5.327 3.745 1.00 0.00 C ATOM 302 CG ASP A 23 15.163 -4.605 4.702 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.752 -4.358 5.855 1.00 0.00 O ATOM 304 OD2 ASP A 23 16.301 -4.285 4.297 1.00 0.00 O ATOM 0 H ASP A 23 11.874 -5.536 1.967 1.00 0.00 H new ATOM 0 HA ASP A 23 12.638 -4.019 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.949 -6.287 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.767 -5.539 2.818 1.00 0.00 H new ATOM 309 N SER A 24 13.206 -2.191 2.789 1.00 0.00 N ATOM 310 CA SER A 24 13.473 -1.080 1.883 1.00 0.00 C ATOM 311 C SER A 24 14.668 -0.262 2.365 1.00 0.00 C ATOM 312 O SER A 24 14.741 0.123 3.532 1.00 0.00 O ATOM 313 CB SER A 24 12.240 -0.182 1.765 1.00 0.00 C ATOM 314 OG SER A 24 12.609 1.154 1.468 1.00 0.00 O ATOM 0 H SER A 24 12.959 -1.911 3.738 1.00 0.00 H new ATOM 0 HA SER A 24 13.708 -1.492 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.582 -0.563 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.676 -0.208 2.698 1.00 0.00 H new ATOM 0 HG SER A 24 13.030 1.188 0.584 1.00 0.00 H new ATOM 320 N TYR A 25 15.602 0.000 1.457 1.00 0.00 N ATOM 321 CA TYR A 25 16.795 0.770 1.789 1.00 0.00 C ATOM 322 C TYR A 25 16.763 2.140 1.118 1.00 0.00 C ATOM 323 O TYR A 25 16.123 2.321 0.082 1.00 0.00 O ATOM 324 CB TYR A 25 18.052 0.011 1.363 1.00 0.00 C ATOM 325 CG TYR A 25 18.142 -0.224 -0.128 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.461 -1.275 -0.729 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.908 0.608 -0.937 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.541 -1.493 -2.091 1.00 0.00 C ATOM 329 CE2 TYR A 25 18.993 0.398 -2.299 1.00 0.00 C ATOM 330 CZ TYR A 25 18.308 -0.654 -2.872 1.00 0.00 C ATOM 331 OH TYR A 25 18.390 -0.867 -4.229 1.00 0.00 O ATOM 0 H TYR A 25 15.556 -0.309 0.486 1.00 0.00 H new ATOM 0 HA TYR A 25 16.814 0.915 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.930 0.569 1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.077 -0.950 1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.858 -1.933 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.446 1.432 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.006 -2.316 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.593 1.054 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 25 17.849 -1.648 -4.471 1.00 0.00 H new ATOM 341 N GLU A 26 17.459 3.101 1.717 1.00 0.00 N ATOM 342 CA GLU A 26 17.510 4.455 1.178 1.00 0.00 C ATOM 343 C GLU A 26 18.490 4.539 0.011 1.00 0.00 C ATOM 344 O GLU A 26 19.705 4.571 0.206 1.00 0.00 O ATOM 345 CB GLU A 26 17.915 5.448 2.270 1.00 0.00 C ATOM 346 CG GLU A 26 16.833 5.681 3.311 1.00 0.00 C ATOM 347 CD GLU A 26 16.901 4.689 4.455 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.003 4.499 5.011 1.00 0.00 O ATOM 349 OE2 GLU A 26 15.853 4.101 4.794 1.00 0.00 O ATOM 0 H GLU A 26 17.995 2.967 2.575 1.00 0.00 H new ATOM 0 HA GLU A 26 16.515 4.711 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.813 5.082 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.173 6.400 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.926 6.693 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.855 5.614 2.834 1.00 0.00 H new ATOM 356 N LYS A 27 17.952 4.574 -1.204 1.00 0.00 N ATOM 357 CA LYS A 27 18.776 4.655 -2.404 1.00 0.00 C ATOM 358 C LYS A 27 18.823 6.084 -2.937 1.00 0.00 C ATOM 359 O LYS A 27 17.920 6.880 -2.685 1.00 0.00 O ATOM 360 CB LYS A 27 18.236 3.714 -3.483 1.00 0.00 C ATOM 361 CG LYS A 27 18.963 3.831 -4.812 1.00 0.00 C ATOM 362 CD LYS A 27 18.323 2.956 -5.876 1.00 0.00 C ATOM 363 CE LYS A 27 18.922 1.558 -5.884 1.00 0.00 C ATOM 364 NZ LYS A 27 20.258 1.530 -6.542 1.00 0.00 N ATOM 0 H LYS A 27 16.948 4.547 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 27 19.789 4.351 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.310 2.686 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.177 3.922 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.956 4.870 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.007 3.544 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.250 2.892 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.457 3.416 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.014 1.197 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.247 0.877 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.579 0.545 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.189 1.961 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.940 2.065 -5.967 1.00 0.00 H new ATOM 378 N GLY A 28 19.882 6.401 -3.675 1.00 0.00 N ATOM 379 CA GLY A 28 20.026 7.733 -4.233 1.00 0.00 C ATOM 380 C GLY A 28 19.548 8.814 -3.283 1.00 0.00 C ATOM 381 O GLY A 28 19.460 8.611 -2.072 1.00 0.00 O ATOM 0 H GLY A 28 20.643 5.759 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.073 7.908 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.463 7.797 -5.164 1.00 0.00 H new ATOM 385 N PRO A 29 19.231 9.994 -3.835 1.00 0.00 N ATOM 386 CA PRO A 29 18.756 11.135 -3.046 1.00 0.00 C ATOM 387 C PRO A 29 17.355 10.909 -2.487 1.00 0.00 C ATOM 388 O PRO A 29 17.118 11.084 -1.292 1.00 0.00 O ATOM 389 CB PRO A 29 18.750 12.286 -4.055 1.00 0.00 C ATOM 390 CG PRO A 29 18.599 11.626 -5.382 1.00 0.00 C ATOM 391 CD PRO A 29 19.312 10.306 -5.272 1.00 0.00 C ATOM 0 HA PRO A 29 19.384 11.318 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.930 12.978 -3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.673 12.863 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.547 11.482 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.031 12.238 -6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.831 9.538 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.346 10.378 -5.610 1.00 0.00 H new ATOM 399 N ASP A 30 16.431 10.520 -3.358 1.00 0.00 N ATOM 400 CA ASP A 30 15.054 10.269 -2.951 1.00 0.00 C ATOM 401 C ASP A 30 14.582 8.903 -3.442 1.00 0.00 C ATOM 402 O ASP A 30 13.387 8.609 -3.434 1.00 0.00 O ATOM 403 CB ASP A 30 14.132 11.364 -3.489 1.00 0.00 C ATOM 404 CG ASP A 30 14.479 12.734 -2.941 1.00 0.00 C ATOM 405 OD1 ASP A 30 14.801 12.827 -1.738 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.428 13.714 -3.714 1.00 0.00 O ATOM 0 H ASP A 30 16.611 10.372 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 30 15.017 10.277 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.194 11.385 -4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.100 11.124 -3.233 1.00 0.00 H new ATOM 411 N SER A 31 15.529 8.074 -3.869 1.00 0.00 N ATOM 412 CA SER A 31 15.210 6.742 -4.368 1.00 0.00 C ATOM 413 C SER A 31 15.046 5.755 -3.217 1.00 0.00 C ATOM 414 O SER A 31 15.997 5.470 -2.488 1.00 0.00 O ATOM 415 CB SER A 31 16.304 6.255 -5.321 1.00 0.00 C ATOM 416 OG SER A 31 16.892 7.340 -6.018 1.00 0.00 O ATOM 0 H SER A 31 16.523 8.301 -3.879 1.00 0.00 H new ATOM 0 HA SER A 31 14.266 6.801 -4.910 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.070 5.722 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.881 5.547 -6.034 1.00 0.00 H new ATOM 0 HG SER A 31 17.589 7.003 -6.619 1.00 0.00 H new ATOM 422 N VAL A 32 13.833 5.236 -3.058 1.00 0.00 N ATOM 423 CA VAL A 32 13.543 4.280 -1.996 1.00 0.00 C ATOM 424 C VAL A 32 13.112 2.935 -2.570 1.00 0.00 C ATOM 425 O VAL A 32 11.994 2.789 -3.065 1.00 0.00 O ATOM 426 CB VAL A 32 12.441 4.802 -1.056 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.005 3.713 -0.087 1.00 0.00 C ATOM 428 CG2 VAL A 32 12.921 6.035 -0.305 1.00 0.00 C ATOM 0 H VAL A 32 13.035 5.462 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 32 14.464 4.150 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 32 11.578 5.085 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.226 4.101 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.618 2.862 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.859 3.396 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.129 6.390 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.800 5.781 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.178 6.818 -1.018 1.00 0.00 H new ATOM 438 N VAL A 33 14.006 1.954 -2.500 1.00 0.00 N ATOM 439 CA VAL A 33 13.718 0.619 -3.011 1.00 0.00 C ATOM 440 C VAL A 33 13.105 -0.263 -1.929 1.00 0.00 C ATOM 441 O VAL A 33 13.377 -0.088 -0.741 1.00 0.00 O ATOM 442 CB VAL A 33 14.989 -0.061 -3.553 1.00 0.00 C ATOM 443 CG1 VAL A 33 14.723 -1.528 -3.854 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.493 0.663 -4.792 1.00 0.00 C ATOM 0 H VAL A 33 14.936 2.059 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 33 13.004 0.739 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 33 15.764 -0.007 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.632 -1.992 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.412 -2.036 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.933 -1.609 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.392 0.169 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.724 0.642 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.725 1.698 -4.540 1.00 0.00 H new ATOM 454 N VAL A 34 12.275 -1.214 -2.348 1.00 0.00 N ATOM 455 CA VAL A 34 11.623 -2.125 -1.415 1.00 0.00 C ATOM 456 C VAL A 34 11.792 -3.575 -1.856 1.00 0.00 C ATOM 457 O VAL A 34 11.637 -3.900 -3.033 1.00 0.00 O ATOM 458 CB VAL A 34 10.121 -1.813 -1.281 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.486 -2.689 -0.212 1.00 0.00 C ATOM 460 CG2 VAL A 34 9.910 -0.339 -0.969 1.00 0.00 C ATOM 0 H VAL A 34 12.039 -1.373 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 34 12.103 -1.983 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 34 9.636 -2.033 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.425 -2.454 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.606 -3.738 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.972 -2.504 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.843 -0.136 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.408 -0.090 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.327 0.267 -1.774 1.00 0.00 H new ATOM 470 N HIS A 35 12.110 -4.444 -0.902 1.00 0.00 N ATOM 471 CA HIS A 35 12.299 -5.862 -1.191 1.00 0.00 C ATOM 472 C HIS A 35 11.273 -6.710 -0.445 1.00 0.00 C ATOM 473 O HIS A 35 11.401 -6.942 0.757 1.00 0.00 O ATOM 474 CB HIS A 35 13.714 -6.298 -0.808 1.00 0.00 C ATOM 475 CG HIS A 35 14.774 -5.757 -1.717 1.00 0.00 C ATOM 476 ND1 HIS A 35 15.995 -6.371 -1.899 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.790 -4.653 -2.500 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.717 -5.667 -2.753 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.008 -4.620 -3.133 1.00 0.00 N ATOM 0 H HIS A 35 12.242 -4.192 0.077 1.00 0.00 H new ATOM 0 HA HIS A 35 12.158 -6.011 -2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.922 -5.974 0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.764 -7.387 -0.813 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.294 -7.234 -1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.993 -3.932 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.717 -5.907 -3.084 1.00 0.00 H new ATOM 488 N VAL A 36 10.256 -7.169 -1.166 1.00 0.00 N ATOM 489 CA VAL A 36 9.208 -7.991 -0.573 1.00 0.00 C ATOM 490 C VAL A 36 9.553 -9.473 -0.668 1.00 0.00 C ATOM 491 O VAL A 36 9.718 -10.015 -1.761 1.00 0.00 O ATOM 492 CB VAL A 36 7.849 -7.748 -1.256 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.734 -8.441 -0.489 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.575 -6.256 -1.380 1.00 0.00 C ATOM 0 H VAL A 36 10.135 -6.986 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 36 9.136 -7.703 0.476 1.00 0.00 H new ATOM 0 HB VAL A 36 7.885 -8.173 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.782 -8.258 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.926 -9.513 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.693 -8.049 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.611 -6.102 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.558 -5.805 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.359 -5.790 -1.977 1.00 0.00 H new ATOM 504 N TYR A 37 9.661 -10.124 0.485 1.00 0.00 N ATOM 505 CA TYR A 37 9.989 -11.544 0.534 1.00 0.00 C ATOM 506 C TYR A 37 8.791 -12.394 0.121 1.00 0.00 C ATOM 507 O TYR A 37 7.851 -12.579 0.893 1.00 0.00 O ATOM 508 CB TYR A 37 10.446 -11.936 1.940 1.00 0.00 C ATOM 509 CG TYR A 37 11.813 -11.402 2.303 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.416 -10.407 1.543 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.503 -11.894 3.404 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.666 -9.917 1.870 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.752 -11.409 3.739 1.00 0.00 C ATOM 514 CZ TYR A 37 14.329 -10.420 2.969 1.00 0.00 C ATOM 515 OH TYR A 37 15.574 -9.935 3.299 1.00 0.00 O ATOM 0 H TYR A 37 9.526 -9.691 1.399 1.00 0.00 H new ATOM 0 HA TYR A 37 10.802 -11.727 -0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.718 -11.571 2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.457 -13.023 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.899 -10.010 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.055 -12.669 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.121 -9.144 1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.274 -11.802 4.599 1.00 0.00 H new ATOM 0 HH TYR A 37 15.902 -10.394 4.100 1.00 0.00 H new ATOM 525 N VAL A 38 8.833 -12.909 -1.104 1.00 0.00 N ATOM 526 CA VAL A 38 7.753 -13.741 -1.621 1.00 0.00 C ATOM 527 C VAL A 38 8.120 -14.339 -2.974 1.00 0.00 C ATOM 528 O VAL A 38 8.837 -13.724 -3.764 1.00 0.00 O ATOM 529 CB VAL A 38 6.446 -12.940 -1.763 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.556 -11.937 -2.902 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.268 -13.877 -1.979 1.00 0.00 C ATOM 0 H VAL A 38 9.603 -12.765 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 38 7.600 -14.545 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 38 6.276 -12.387 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.623 -11.380 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.374 -11.246 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.750 -12.466 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.352 -13.294 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.427 -14.458 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.179 -14.552 -1.127 1.00 0.00 H new ATOM 541 N LYS A 39 7.623 -15.543 -3.237 1.00 0.00 N ATOM 542 CA LYS A 39 7.896 -16.226 -4.496 1.00 0.00 C ATOM 543 C LYS A 39 6.604 -16.720 -5.138 1.00 0.00 C ATOM 544 O LYS A 39 5.510 -16.424 -4.660 1.00 0.00 O ATOM 545 CB LYS A 39 8.847 -17.403 -4.267 1.00 0.00 C ATOM 546 CG LYS A 39 9.760 -17.222 -3.066 1.00 0.00 C ATOM 547 CD LYS A 39 10.535 -18.492 -2.759 1.00 0.00 C ATOM 548 CE LYS A 39 11.879 -18.183 -2.118 1.00 0.00 C ATOM 549 NZ LYS A 39 11.789 -18.138 -0.633 1.00 0.00 N ATOM 0 H LYS A 39 7.028 -16.066 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 39 8.368 -15.513 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.261 -18.312 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.457 -17.545 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.457 -16.406 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.167 -16.937 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.949 -19.125 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.690 -19.056 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.605 -18.940 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.246 -17.226 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.726 -17.925 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.115 -17.399 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.463 -19.059 -0.277 1.00 0.00 H new ATOM 563 N GLU A 40 6.739 -17.477 -6.223 1.00 0.00 N ATOM 564 CA GLU A 40 5.581 -18.012 -6.929 1.00 0.00 C ATOM 565 C GLU A 40 4.494 -16.951 -7.076 1.00 0.00 C ATOM 566 O GLU A 40 3.334 -17.184 -6.735 1.00 0.00 O ATOM 567 CB GLU A 40 5.023 -19.230 -6.189 1.00 0.00 C ATOM 568 CG GLU A 40 6.097 -20.170 -5.668 1.00 0.00 C ATOM 569 CD GLU A 40 6.533 -21.188 -6.703 1.00 0.00 C ATOM 570 OE1 GLU A 40 5.854 -22.228 -6.836 1.00 0.00 O ATOM 571 OE2 GLU A 40 7.555 -20.946 -7.379 1.00 0.00 O ATOM 0 H GLU A 40 7.638 -17.733 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 40 5.904 -18.316 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.414 -18.889 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.364 -19.781 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.962 -19.587 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.722 -20.691 -4.787 1.00 0.00 H new ATOM 578 N ILE A 41 4.879 -15.786 -7.586 1.00 0.00 N ATOM 579 CA ILE A 41 3.938 -14.689 -7.778 1.00 0.00 C ATOM 580 C ILE A 41 3.489 -14.599 -9.233 1.00 0.00 C ATOM 581 O ILE A 41 4.224 -14.980 -10.145 1.00 0.00 O ATOM 582 CB ILE A 41 4.552 -13.340 -7.358 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.419 -13.144 -5.846 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.883 -12.197 -8.107 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.388 -11.691 -5.426 1.00 0.00 C ATOM 0 H ILE A 41 5.835 -15.577 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 41 3.075 -14.899 -7.146 1.00 0.00 H new ATOM 0 HB ILE A 41 5.612 -13.344 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.507 -13.633 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.253 -13.640 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.328 -11.251 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.024 -12.333 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.817 -12.188 -7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.292 -11.628 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.311 -11.202 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.538 -11.195 -5.895 1.00 0.00 H new ATOM 597 N CYS A 42 2.280 -14.091 -9.442 1.00 0.00 N ATOM 598 CA CYS A 42 1.732 -13.949 -10.787 1.00 0.00 C ATOM 599 C CYS A 42 1.894 -12.519 -11.291 1.00 0.00 C ATOM 600 O CYS A 42 1.162 -11.619 -10.879 1.00 0.00 O ATOM 601 CB CYS A 42 0.255 -14.345 -10.803 1.00 0.00 C ATOM 602 SG CYS A 42 -0.305 -15.040 -12.375 1.00 0.00 S ATOM 0 H CYS A 42 1.660 -13.770 -8.698 1.00 0.00 H new ATOM 0 HA CYS A 42 2.285 -14.614 -11.451 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.076 -15.073 -10.012 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.348 -13.467 -10.571 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.566 -15.346 -12.290 1.00 0.00 H new ATOM 608 N ARG A 43 2.857 -12.317 -12.184 1.00 0.00 N ATOM 609 CA ARG A 43 3.116 -10.996 -12.743 1.00 0.00 C ATOM 610 C ARG A 43 2.011 -10.589 -13.713 1.00 0.00 C ATOM 611 O ARG A 43 2.041 -9.498 -14.282 1.00 0.00 O ATOM 612 CB ARG A 43 4.469 -10.977 -13.457 1.00 0.00 C ATOM 613 CG ARG A 43 5.608 -11.534 -12.619 1.00 0.00 C ATOM 614 CD ARG A 43 6.961 -11.221 -13.239 1.00 0.00 C ATOM 615 NE ARG A 43 7.037 -11.649 -14.633 1.00 0.00 N ATOM 616 CZ ARG A 43 7.867 -11.116 -15.522 1.00 0.00 C ATOM 617 NH1 ARG A 43 8.689 -10.139 -15.163 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.878 -11.560 -16.772 1.00 0.00 N ATOM 0 H ARG A 43 3.471 -13.052 -12.536 1.00 0.00 H new ATOM 0 HA ARG A 43 3.136 -10.280 -11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.392 -11.553 -14.379 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.706 -9.952 -13.741 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.561 -11.114 -11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.493 -12.613 -12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.148 -10.149 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.745 -11.714 -12.665 1.00 0.00 H new ATOM 0 HE ARG A 43 6.418 -12.399 -14.941 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.684 -9.796 -14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.326 -9.731 -15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.248 -12.312 -17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.516 -11.149 -17.453 1.00 0.00 H new ATOM 632 N ASP A 44 1.038 -11.474 -13.898 1.00 0.00 N ATOM 633 CA ASP A 44 -0.078 -11.208 -14.798 1.00 0.00 C ATOM 634 C ASP A 44 -1.277 -10.659 -14.031 1.00 0.00 C ATOM 635 O ASP A 44 -2.047 -9.854 -14.555 1.00 0.00 O ATOM 636 CB ASP A 44 -0.474 -12.483 -15.545 1.00 0.00 C ATOM 637 CG ASP A 44 0.651 -13.024 -16.405 1.00 0.00 C ATOM 638 OD1 ASP A 44 0.991 -12.373 -17.416 1.00 0.00 O ATOM 639 OD2 ASP A 44 1.192 -14.097 -16.068 1.00 0.00 O ATOM 0 H ASP A 44 0.999 -12.383 -13.436 1.00 0.00 H new ATOM 0 HA ASP A 44 0.242 -10.457 -15.521 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.775 -13.244 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.341 -12.278 -16.173 1.00 0.00 H new ATOM 644 N THR A 45 -1.429 -11.101 -12.787 1.00 0.00 N ATOM 645 CA THR A 45 -2.535 -10.656 -11.948 1.00 0.00 C ATOM 646 C THR A 45 -2.031 -9.860 -10.750 1.00 0.00 C ATOM 647 O THR A 45 -2.759 -9.652 -9.780 1.00 0.00 O ATOM 648 CB THR A 45 -3.371 -11.847 -11.443 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.594 -12.645 -10.543 1.00 0.00 O ATOM 650 CG2 THR A 45 -3.849 -12.705 -12.606 1.00 0.00 C ATOM 0 H THR A 45 -0.800 -11.767 -12.338 1.00 0.00 H new ATOM 0 HA THR A 45 -3.164 -10.016 -12.567 1.00 0.00 H new ATOM 0 HB THR A 45 -4.243 -11.454 -10.919 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.180 -13.033 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.437 -13.540 -12.225 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.465 -12.102 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.988 -13.088 -13.154 1.00 0.00 H new ATOM 658 N SER A 46 -0.781 -9.415 -10.825 1.00 0.00 N ATOM 659 CA SER A 46 -0.178 -8.643 -9.745 1.00 0.00 C ATOM 660 C SER A 46 0.280 -7.276 -10.244 1.00 0.00 C ATOM 661 O SER A 46 1.109 -7.179 -11.149 1.00 0.00 O ATOM 662 CB SER A 46 1.007 -9.403 -9.146 1.00 0.00 C ATOM 663 OG SER A 46 0.603 -10.667 -8.648 1.00 0.00 O ATOM 0 H SER A 46 -0.166 -9.576 -11.623 1.00 0.00 H new ATOM 0 HA SER A 46 -0.933 -8.494 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.778 -9.537 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.450 -8.816 -8.341 1.00 0.00 H new ATOM 0 HG SER A 46 0.706 -11.343 -9.350 1.00 0.00 H new ATOM 669 N ARG A 47 -0.266 -6.221 -9.646 1.00 0.00 N ATOM 670 CA ARG A 47 0.084 -4.859 -10.030 1.00 0.00 C ATOM 671 C ARG A 47 0.435 -4.022 -8.803 1.00 0.00 C ATOM 672 O ARG A 47 0.314 -4.484 -7.668 1.00 0.00 O ATOM 673 CB ARG A 47 -1.071 -4.208 -10.791 1.00 0.00 C ATOM 674 CG ARG A 47 -2.433 -4.461 -10.165 1.00 0.00 C ATOM 675 CD ARG A 47 -3.409 -3.338 -10.481 1.00 0.00 C ATOM 676 NE ARG A 47 -4.794 -3.801 -10.480 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.353 -4.450 -11.495 1.00 0.00 C ATOM 678 NH1 ARG A 47 -4.648 -4.713 -12.587 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.619 -4.839 -11.419 1.00 0.00 N ATOM 0 H ARG A 47 -0.952 -6.284 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 47 0.958 -4.905 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.899 -3.133 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.076 -4.581 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.833 -5.406 -10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.326 -4.558 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.293 -2.540 -9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.169 -2.913 -11.456 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.363 -3.616 -9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.674 -4.417 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.080 -5.212 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.164 -4.640 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.047 -5.337 -12.199 1.00 0.00 H new ATOM 693 N VAL A 48 0.871 -2.789 -9.040 1.00 0.00 N ATOM 694 CA VAL A 48 1.240 -1.887 -7.955 1.00 0.00 C ATOM 695 C VAL A 48 0.773 -0.464 -8.241 1.00 0.00 C ATOM 696 O VAL A 48 1.153 0.135 -9.248 1.00 0.00 O ATOM 697 CB VAL A 48 2.762 -1.879 -7.724 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.132 -0.889 -6.630 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.255 -3.276 -7.377 1.00 0.00 C ATOM 0 H VAL A 48 0.977 -2.392 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 48 0.746 -2.255 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 48 3.250 -1.564 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.212 -0.898 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.814 0.112 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.636 -1.171 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.333 -3.252 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.761 -3.621 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.025 -3.957 -8.196 1.00 0.00 H new ATOM 709 N LEU A 49 -0.053 0.072 -7.349 1.00 0.00 N ATOM 710 CA LEU A 49 -0.572 1.427 -7.504 1.00 0.00 C ATOM 711 C LEU A 49 0.264 2.425 -6.709 1.00 0.00 C ATOM 712 O LEU A 49 0.365 2.330 -5.486 1.00 0.00 O ATOM 713 CB LEU A 49 -2.031 1.490 -7.050 1.00 0.00 C ATOM 714 CG LEU A 49 -3.010 0.595 -7.811 1.00 0.00 C ATOM 715 CD1 LEU A 49 -2.994 0.928 -9.295 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.676 -0.872 -7.588 1.00 0.00 C ATOM 0 H LEU A 49 -0.378 -0.411 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.515 1.693 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.074 1.225 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.373 2.522 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.014 0.780 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.697 0.281 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.283 1.969 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.991 0.772 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.383 -1.494 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.665 -1.073 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.740 -1.102 -6.525 1.00 0.00 H new ATOM 728 N PHE A 50 0.859 3.382 -7.412 1.00 0.00 N ATOM 729 CA PHE A 50 1.685 4.399 -6.772 1.00 0.00 C ATOM 730 C PHE A 50 0.893 5.685 -6.554 1.00 0.00 C ATOM 731 O PHE A 50 0.588 6.407 -7.503 1.00 0.00 O ATOM 732 CB PHE A 50 2.925 4.689 -7.621 1.00 0.00 C ATOM 733 CG PHE A 50 3.890 3.539 -7.685 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.583 3.136 -6.555 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.103 2.861 -8.874 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.471 2.079 -6.611 1.00 0.00 C ATOM 737 CE2 PHE A 50 4.990 1.803 -8.937 1.00 0.00 C ATOM 738 CZ PHE A 50 5.674 1.411 -7.803 1.00 0.00 C ATOM 0 H PHE A 50 0.785 3.475 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 50 1.999 4.017 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.611 4.946 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.438 5.561 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.427 3.654 -5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.569 3.163 -9.763 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.006 1.775 -5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.148 1.284 -9.871 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.367 0.583 -7.848 1.00 0.00 H new ATOM 748 N ARG A 51 0.563 5.963 -5.297 1.00 0.00 N ATOM 749 CA ARG A 51 -0.195 7.160 -4.953 1.00 0.00 C ATOM 750 C ARG A 51 0.740 8.328 -4.652 1.00 0.00 C ATOM 751 O ARG A 51 1.959 8.205 -4.767 1.00 0.00 O ATOM 752 CB ARG A 51 -1.096 6.890 -3.747 1.00 0.00 C ATOM 753 CG ARG A 51 -2.478 6.380 -4.121 1.00 0.00 C ATOM 754 CD ARG A 51 -3.441 7.526 -4.390 1.00 0.00 C ATOM 755 NE ARG A 51 -3.728 8.295 -3.182 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.725 9.167 -3.086 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.527 9.380 -4.120 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.922 9.829 -1.952 1.00 0.00 N ATOM 0 H ARG A 51 0.809 5.376 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.815 7.425 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.612 6.160 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.201 7.809 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.407 5.748 -5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.868 5.757 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.017 8.185 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.371 7.130 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.130 8.155 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.379 8.873 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.292 10.050 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.307 9.668 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.688 10.499 -1.879 1.00 0.00 H new ATOM 772 N GLU A 52 0.159 9.460 -4.266 1.00 0.00 N ATOM 773 CA GLU A 52 0.941 10.650 -3.950 1.00 0.00 C ATOM 774 C GLU A 52 1.463 10.593 -2.517 1.00 0.00 C ATOM 775 O GLU A 52 2.601 10.973 -2.246 1.00 0.00 O ATOM 776 CB GLU A 52 0.096 11.910 -4.147 1.00 0.00 C ATOM 777 CG GLU A 52 -1.022 12.058 -3.129 1.00 0.00 C ATOM 778 CD GLU A 52 -2.129 12.978 -3.608 1.00 0.00 C ATOM 779 OE1 GLU A 52 -1.814 13.992 -4.265 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.309 12.684 -3.325 1.00 0.00 O ATOM 0 H GLU A 52 -0.849 9.578 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 52 1.794 10.684 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.744 12.784 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.335 11.895 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.441 11.076 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.611 12.445 -2.197 1.00 0.00 H new ATOM 787 N GLN A 53 0.621 10.117 -1.606 1.00 0.00 N ATOM 788 CA GLN A 53 0.997 10.012 -0.201 1.00 0.00 C ATOM 789 C GLN A 53 0.923 8.565 0.276 1.00 0.00 C ATOM 790 O GLN A 53 0.804 8.300 1.472 1.00 0.00 O ATOM 791 CB GLN A 53 0.087 10.891 0.659 1.00 0.00 C ATOM 792 CG GLN A 53 0.653 11.185 2.039 1.00 0.00 C ATOM 793 CD GLN A 53 -0.427 11.462 3.066 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.079 12.507 3.032 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.623 10.526 3.987 1.00 0.00 N ATOM 0 H GLN A 53 -0.325 9.798 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 53 2.026 10.357 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.091 11.833 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.880 10.400 0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.254 10.338 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.320 12.045 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.060 9.676 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.337 10.657 4.704 1.00 0.00 H new ATOM 804 N ASP A 54 0.994 7.632 -0.668 1.00 0.00 N ATOM 805 CA ASP A 54 0.936 6.211 -0.344 1.00 0.00 C ATOM 806 C ASP A 54 1.248 5.362 -1.572 1.00 0.00 C ATOM 807 O ASP A 54 1.513 5.888 -2.653 1.00 0.00 O ATOM 808 CB ASP A 54 -0.445 5.848 0.205 1.00 0.00 C ATOM 809 CG ASP A 54 -1.568 6.524 -0.556 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.485 7.752 -0.768 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.530 5.826 -0.939 1.00 0.00 O ATOM 0 H ASP A 54 1.092 7.834 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 54 1.687 6.005 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.578 4.767 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.501 6.131 1.256 1.00 0.00 H new ATOM 816 N PHE A 55 1.217 4.045 -1.397 1.00 0.00 N ATOM 817 CA PHE A 55 1.499 3.121 -2.490 1.00 0.00 C ATOM 818 C PHE A 55 0.967 1.727 -2.175 1.00 0.00 C ATOM 819 O PHE A 55 1.425 1.070 -1.239 1.00 0.00 O ATOM 820 CB PHE A 55 3.005 3.056 -2.755 1.00 0.00 C ATOM 821 CG PHE A 55 3.731 2.096 -1.857 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.842 0.758 -2.197 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.302 2.532 -0.672 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.510 -0.128 -1.372 1.00 0.00 C ATOM 825 CE2 PHE A 55 4.971 1.651 0.156 1.00 0.00 C ATOM 826 CZ PHE A 55 5.074 0.319 -0.194 1.00 0.00 C ATOM 0 H PHE A 55 0.999 3.593 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 55 0.995 3.490 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.171 2.767 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.431 4.051 -2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.402 0.403 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.223 3.572 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.590 -1.169 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.413 2.004 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.595 -0.372 0.453 1.00 0.00 H new ATOM 836 N THR A 56 -0.006 1.279 -2.963 1.00 0.00 N ATOM 837 CA THR A 56 -0.604 -0.036 -2.769 1.00 0.00 C ATOM 838 C THR A 56 0.040 -1.073 -3.682 1.00 0.00 C ATOM 839 O THR A 56 0.402 -0.773 -4.820 1.00 0.00 O ATOM 840 CB THR A 56 -2.121 -0.008 -3.032 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.698 1.168 -2.452 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.793 -1.245 -2.457 1.00 0.00 C ATOM 0 H THR A 56 -0.397 1.809 -3.742 1.00 0.00 H new ATOM 0 HA THR A 56 -0.429 -0.312 -1.729 1.00 0.00 H new ATOM 0 HB THR A 56 -2.280 0.004 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.624 1.263 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.864 -1.203 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.373 -2.137 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.624 -1.284 -1.381 1.00 0.00 H new ATOM 850 N LEU A 57 0.180 -2.293 -3.176 1.00 0.00 N ATOM 851 CA LEU A 57 0.780 -3.376 -3.948 1.00 0.00 C ATOM 852 C LEU A 57 -0.137 -4.595 -3.980 1.00 0.00 C ATOM 853 O LEU A 57 -0.291 -5.294 -2.978 1.00 0.00 O ATOM 854 CB LEU A 57 2.137 -3.760 -3.354 1.00 0.00 C ATOM 855 CG LEU A 57 2.618 -5.182 -3.645 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.037 -5.316 -5.101 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.769 -5.555 -2.721 1.00 0.00 C ATOM 0 H LEU A 57 -0.113 -2.557 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 57 0.923 -3.025 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.886 -3.061 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.089 -3.628 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 57 1.792 -5.869 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.376 -6.334 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.188 -5.091 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.848 -4.619 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.099 -6.570 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.597 -4.863 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.436 -5.499 -1.685 1.00 0.00 H new ATOM 869 N ILE A 58 -0.741 -4.844 -5.137 1.00 0.00 N ATOM 870 CA ILE A 58 -1.639 -5.980 -5.300 1.00 0.00 C ATOM 871 C ILE A 58 -0.966 -7.106 -6.077 1.00 0.00 C ATOM 872 O ILE A 58 -0.643 -6.955 -7.255 1.00 0.00 O ATOM 873 CB ILE A 58 -2.935 -5.574 -6.026 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.756 -4.621 -5.155 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.751 -6.807 -6.385 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.185 -3.222 -5.085 1.00 0.00 C ATOM 0 H ILE A 58 -0.625 -4.274 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.888 -6.331 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.670 -5.057 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.773 -4.571 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.821 -5.029 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.664 -6.503 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.166 -7.453 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.009 -7.350 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.818 -2.602 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.179 -3.260 -4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.145 -2.795 -6.087 1.00 0.00 H new ATOM 888 N PHE A 59 -0.759 -8.237 -5.410 1.00 0.00 N ATOM 889 CA PHE A 59 -0.126 -9.390 -6.038 1.00 0.00 C ATOM 890 C PHE A 59 -0.637 -10.692 -5.428 1.00 0.00 C ATOM 891 O PHE A 59 -0.872 -10.773 -4.223 1.00 0.00 O ATOM 892 CB PHE A 59 1.395 -9.307 -5.889 1.00 0.00 C ATOM 893 CG PHE A 59 1.883 -9.673 -4.516 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.821 -10.984 -4.071 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.405 -8.707 -3.672 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.270 -11.323 -2.809 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.855 -9.041 -2.408 1.00 0.00 C ATOM 898 CZ PHE A 59 2.788 -10.351 -1.977 1.00 0.00 C ATOM 0 H PHE A 59 -1.021 -8.379 -4.434 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.382 -9.381 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.860 -9.968 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.720 -8.294 -6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.417 -11.749 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.461 -7.681 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.216 -12.348 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.258 -8.278 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.140 -10.615 -0.991 1.00 0.00 H new ATOM 908 N GLN A 60 -0.808 -11.706 -6.269 1.00 0.00 N ATOM 909 CA GLN A 60 -1.293 -13.003 -5.813 1.00 0.00 C ATOM 910 C GLN A 60 -0.165 -14.028 -5.788 1.00 0.00 C ATOM 911 O GLN A 60 0.298 -14.486 -6.834 1.00 0.00 O ATOM 912 CB GLN A 60 -2.425 -13.495 -6.718 1.00 0.00 C ATOM 913 CG GLN A 60 -3.772 -12.863 -6.406 1.00 0.00 C ATOM 914 CD GLN A 60 -4.760 -13.002 -7.547 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.563 -13.804 -8.460 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.832 -12.220 -7.500 1.00 0.00 N ATOM 0 H GLN A 60 -0.618 -11.655 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.674 -12.884 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.166 -13.285 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.510 -14.578 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.188 -13.327 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.630 -11.806 -6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.955 -11.569 -6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.532 -12.270 -8.240 1.00 0.00 H new ATOM 925 N THR A 61 0.277 -14.386 -4.586 1.00 0.00 N ATOM 926 CA THR A 61 1.352 -15.356 -4.424 1.00 0.00 C ATOM 927 C THR A 61 0.803 -16.732 -4.064 1.00 0.00 C ATOM 928 O THR A 61 -0.186 -16.845 -3.339 1.00 0.00 O ATOM 929 CB THR A 61 2.349 -14.913 -3.337 1.00 0.00 C ATOM 930 OG1 THR A 61 3.426 -15.852 -3.247 1.00 0.00 O ATOM 931 CG2 THR A 61 1.660 -14.795 -1.986 1.00 0.00 C ATOM 0 H THR A 61 -0.094 -14.018 -3.710 1.00 0.00 H new ATOM 0 HA THR A 61 1.871 -15.415 -5.381 1.00 0.00 H new ATOM 0 HB THR A 61 2.742 -13.935 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.025 -15.737 -4.014 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.384 -14.481 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.860 -14.058 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.242 -15.762 -1.705 1.00 0.00 H new ATOM 939 N ARG A 62 1.450 -17.774 -4.573 1.00 0.00 N ATOM 940 CA ARG A 62 1.025 -19.143 -4.305 1.00 0.00 C ATOM 941 C ARG A 62 2.154 -19.947 -3.665 1.00 0.00 C ATOM 942 O ARG A 62 2.242 -21.162 -3.844 1.00 0.00 O ATOM 943 CB ARG A 62 0.571 -19.821 -5.598 1.00 0.00 C ATOM 944 CG ARG A 62 1.636 -19.842 -6.682 1.00 0.00 C ATOM 945 CD ARG A 62 1.144 -20.551 -7.934 1.00 0.00 C ATOM 946 NE ARG A 62 0.383 -19.660 -8.805 1.00 0.00 N ATOM 947 CZ ARG A 62 -0.234 -20.063 -9.911 1.00 0.00 C ATOM 948 NH1 ARG A 62 -0.180 -21.336 -10.277 1.00 0.00 N ATOM 949 NH2 ARG A 62 -0.907 -19.191 -10.652 1.00 0.00 N ATOM 0 H ARG A 62 2.271 -17.697 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 62 0.187 -19.107 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.271 -20.845 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.311 -19.306 -5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.924 -18.820 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.529 -20.342 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.997 -20.952 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.521 -21.399 -7.649 1.00 0.00 H new ATOM 0 HE ARG A 62 0.322 -18.674 -8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.336 -22.008 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.654 -21.643 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.951 -18.211 -10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.380 -19.501 -11.501 1.00 0.00 H new ATOM 963 N ASP A 63 3.013 -19.261 -2.921 1.00 0.00 N ATOM 964 CA ASP A 63 4.136 -19.911 -2.254 1.00 0.00 C ATOM 965 C ASP A 63 3.757 -20.331 -0.837 1.00 0.00 C ATOM 966 O ASP A 63 3.601 -19.492 0.049 1.00 0.00 O ATOM 967 CB ASP A 63 5.345 -18.975 -2.216 1.00 0.00 C ATOM 968 CG ASP A 63 6.617 -19.690 -1.804 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.520 -20.714 -1.096 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.710 -19.225 -2.191 1.00 0.00 O ATOM 0 H ASP A 63 2.954 -18.255 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 63 4.396 -20.805 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.485 -18.527 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.148 -18.160 -1.520 1.00 0.00 H new ATOM 975 N GLY A 64 3.610 -21.637 -0.632 1.00 0.00 N ATOM 976 CA GLY A 64 3.250 -22.145 0.679 1.00 0.00 C ATOM 977 C GLY A 64 3.984 -21.434 1.798 1.00 0.00 C ATOM 978 O GLY A 64 3.470 -21.317 2.910 1.00 0.00 O ATOM 0 H GLY A 64 3.734 -22.351 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.176 -22.034 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.470 -23.212 0.725 1.00 0.00 H new ATOM 982 N ASN A 65 5.190 -20.960 1.505 1.00 0.00 N ATOM 983 CA ASN A 65 5.997 -20.259 2.497 1.00 0.00 C ATOM 984 C ASN A 65 5.347 -18.937 2.892 1.00 0.00 C ATOM 985 O ASN A 65 5.339 -18.562 4.064 1.00 0.00 O ATOM 986 CB ASN A 65 7.405 -20.006 1.953 1.00 0.00 C ATOM 987 CG ASN A 65 8.316 -21.206 2.127 1.00 0.00 C ATOM 988 OD1 ASN A 65 9.229 -21.192 2.953 1.00 0.00 O ATOM 989 ND2 ASN A 65 8.072 -22.252 1.346 1.00 0.00 N ATOM 0 H ASN A 65 5.630 -21.048 0.589 1.00 0.00 H new ATOM 0 HA ASN A 65 6.065 -20.889 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.342 -19.751 0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.840 -19.146 2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.652 -23.088 1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.304 -22.220 0.675 1.00 0.00 H new ATOM 996 N PHE A 66 4.802 -18.234 1.904 1.00 0.00 N ATOM 997 CA PHE A 66 4.150 -16.953 2.147 1.00 0.00 C ATOM 998 C PHE A 66 2.685 -17.151 2.524 1.00 0.00 C ATOM 999 O PHE A 66 2.148 -16.439 3.373 1.00 0.00 O ATOM 1000 CB PHE A 66 4.253 -16.061 0.908 1.00 0.00 C ATOM 1001 CG PHE A 66 3.818 -14.644 1.152 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.472 -14.322 1.233 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.754 -13.633 1.301 1.00 0.00 C ATOM 1004 CE1 PHE A 66 2.069 -13.019 1.456 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.357 -12.328 1.525 1.00 0.00 C ATOM 1006 CZ PHE A 66 3.013 -12.021 1.604 1.00 0.00 C ATOM 0 H PHE A 66 4.799 -18.530 0.928 1.00 0.00 H new ATOM 0 HA PHE A 66 4.659 -16.467 2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.284 -16.060 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.644 -16.488 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.730 -15.098 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.807 -13.868 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.017 -12.781 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.097 -11.550 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.700 -11.003 1.781 1.00 0.00 H new ATOM 1016 N LEU A 67 2.043 -18.125 1.887 1.00 0.00 N ATOM 1017 CA LEU A 67 0.639 -18.418 2.154 1.00 0.00 C ATOM 1018 C LEU A 67 0.446 -18.894 3.590 1.00 0.00 C ATOM 1019 O LEU A 67 -0.355 -18.332 4.338 1.00 0.00 O ATOM 1020 CB LEU A 67 0.126 -19.480 1.180 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.183 -18.997 -0.238 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -0.815 -20.113 -1.056 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.094 -17.779 -0.200 1.00 0.00 C ATOM 0 H LEU A 67 2.472 -18.725 1.182 1.00 0.00 H new ATOM 0 HA LEU A 67 0.068 -17.500 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.868 -20.276 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.779 -19.920 1.598 1.00 0.00 H new ATOM 0 HG LEU A 67 0.754 -18.710 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.028 -19.751 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.128 -20.957 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.743 -20.432 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.303 -17.449 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.029 -18.039 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.604 -16.975 0.348 1.00 0.00 H new ATOM 1035 N ARG A 68 1.186 -19.930 3.970 1.00 0.00 N ATOM 1036 CA ARG A 68 1.097 -20.480 5.317 1.00 0.00 C ATOM 1037 C ARG A 68 1.010 -19.364 6.355 1.00 0.00 C ATOM 1038 O ARG A 68 0.280 -19.475 7.341 1.00 0.00 O ATOM 1039 CB ARG A 68 2.307 -21.369 5.609 1.00 0.00 C ATOM 1040 CG ARG A 68 3.579 -20.590 5.904 1.00 0.00 C ATOM 1041 CD ARG A 68 4.819 -21.438 5.670 1.00 0.00 C ATOM 1042 NE ARG A 68 4.981 -22.465 6.695 1.00 0.00 N ATOM 1043 CZ ARG A 68 6.052 -23.244 6.792 1.00 0.00 C ATOM 1044 NH1 ARG A 68 7.051 -23.114 5.930 1.00 0.00 N ATOM 1045 NH2 ARG A 68 6.126 -24.156 7.753 1.00 0.00 N ATOM 0 H ARG A 68 1.854 -20.406 3.364 1.00 0.00 H new ATOM 0 HA ARG A 68 0.190 -21.081 5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.079 -22.011 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.481 -22.023 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.619 -19.703 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.563 -20.244 6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.755 -21.911 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.700 -20.796 5.657 1.00 0.00 H new ATOM 0 HE ARG A 68 4.230 -22.591 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.998 -22.414 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.872 -23.714 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.360 -24.259 8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.949 -24.754 7.826 1.00 0.00 H new ATOM 1059 N LEU A 69 1.758 -18.291 6.127 1.00 0.00 N ATOM 1060 CA LEU A 69 1.766 -17.155 7.042 1.00 0.00 C ATOM 1061 C LEU A 69 0.368 -16.560 7.183 1.00 0.00 C ATOM 1062 O LEU A 69 -0.059 -16.205 8.282 1.00 0.00 O ATOM 1063 CB LEU A 69 2.741 -16.084 6.549 1.00 0.00 C ATOM 1064 CG LEU A 69 4.077 -16.593 6.005 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.973 -15.427 5.616 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.767 -17.480 7.031 1.00 0.00 C ATOM 0 H LEU A 69 2.367 -18.183 5.316 1.00 0.00 H new ATOM 0 HA LEU A 69 2.091 -17.510 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.249 -15.506 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.944 -15.399 7.372 1.00 0.00 H new ATOM 0 HG LEU A 69 3.882 -17.188 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.919 -15.808 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.482 -14.831 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.161 -14.805 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.716 -17.833 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.950 -16.909 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.130 -18.334 7.261 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.340 -16.455 6.063 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.691 -15.905 6.062 1.00 0.00 C ATOM 1080 C HIS A 70 -2.729 -17.013 5.908 1.00 0.00 C ATOM 1081 O HIS A 70 -3.093 -17.406 4.800 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.848 -14.884 4.935 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.810 -13.805 4.955 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.496 -13.826 4.600 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 -1.069 -12.519 5.383 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 0.997 -12.565 4.815 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 0.033 -11.796 5.287 1.00 0.00 N flip ATOM 0 H HIS A 70 -0.001 -16.743 5.145 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.855 -15.408 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.803 -15.403 3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.836 -14.428 5.004 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.012 -14.629 4.240 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.023 -12.160 5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.014 -12.253 4.628 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.216 -17.531 7.046 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.217 -18.601 7.064 1.00 0.00 C ATOM 1098 C PRO A 71 -5.583 -18.125 6.581 1.00 0.00 C ATOM 1099 O PRO A 71 -5.930 -16.953 6.727 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.282 -19.001 8.540 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.841 -17.787 9.282 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.826 -17.110 8.403 1.00 0.00 C ATOM 0 HA PRO A 71 -3.949 -19.421 6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.292 -19.295 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.632 -19.850 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.684 -17.126 9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.406 -18.055 10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.859 -16.026 8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.811 -17.424 8.645 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.355 -19.041 6.005 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.674 -18.695 5.509 1.00 0.00 C ATOM 1112 C GLY A 72 -7.655 -18.278 4.052 1.00 0.00 C ATOM 1113 O GLY A 72 -8.699 -18.227 3.401 1.00 0.00 O ATOM 0 H GLY A 72 -6.090 -20.017 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.340 -19.549 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.084 -17.884 6.111 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.467 -17.978 3.540 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.317 -17.560 2.151 1.00 0.00 C ATOM 1119 C CYS A 73 -5.627 -18.644 1.329 1.00 0.00 C ATOM 1120 O CYS A 73 -5.362 -19.738 1.824 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.519 -16.258 2.071 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.392 -14.816 2.727 1.00 0.00 S ATOM 0 H CYS A 73 -5.594 -18.016 4.066 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.312 -17.393 1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.584 -16.383 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.257 -16.068 1.030 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.531 -13.969 3.208 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.341 -18.332 0.068 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.686 -19.290 -0.803 1.00 0.00 C ATOM 1130 C GLY A 74 -3.971 -18.625 -1.962 1.00 0.00 C ATOM 1131 O GLY A 74 -3.730 -17.418 -1.961 1.00 0.00 O ATOM 0 H GLY A 74 -5.551 -17.433 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.969 -19.872 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.426 -19.990 -1.190 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.617 -19.423 -2.981 1.00 0.00 N ATOM 1136 CA PRO A 75 -2.919 -18.927 -4.170 1.00 0.00 C ATOM 1137 C PRO A 75 -3.810 -18.047 -5.040 1.00 0.00 C ATOM 1138 O PRO A 75 -3.323 -17.184 -5.771 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.538 -20.207 -4.918 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.539 -21.217 -4.475 1.00 0.00 C ATOM 1141 CD PRO A 75 -3.873 -20.872 -3.050 1.00 0.00 C ATOM 0 HA PRO A 75 -2.067 -18.299 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.575 -20.060 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.523 -20.521 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.429 -21.185 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.133 -22.226 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.910 -21.109 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.250 -21.424 -2.346 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.117 -18.270 -4.957 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.077 -17.496 -5.737 1.00 0.00 C ATOM 1151 C HIS A 76 -6.651 -16.350 -4.909 1.00 0.00 C ATOM 1152 O HIS A 76 -7.611 -15.695 -5.317 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.207 -18.398 -6.234 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.506 -19.544 -5.319 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.564 -19.416 -3.947 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.767 -20.846 -5.585 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -7.845 -20.590 -3.409 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -7.974 -21.474 -4.382 1.00 0.00 N ATOM 0 H HIS A 76 -5.537 -18.981 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.555 -17.074 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.109 -17.800 -6.360 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.943 -18.788 -7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.805 -21.305 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.951 -20.792 -2.353 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.192 -22.463 -4.259 1.00 0.00 H new ATOM 1167 N THR A 77 -6.058 -16.114 -3.743 1.00 0.00 N ATOM 1168 CA THR A 77 -6.511 -15.049 -2.857 1.00 0.00 C ATOM 1169 C THR A 77 -5.719 -13.767 -3.088 1.00 0.00 C ATOM 1170 O THR A 77 -4.518 -13.710 -2.824 1.00 0.00 O ATOM 1171 CB THR A 77 -6.385 -15.457 -1.377 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.171 -16.627 -1.123 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.836 -14.328 -0.464 1.00 0.00 C ATOM 0 H THR A 77 -5.263 -16.646 -3.390 1.00 0.00 H new ATOM 0 HA THR A 77 -7.561 -14.871 -3.089 1.00 0.00 H new ATOM 0 HB THR A 77 -5.337 -15.672 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.613 -16.542 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.738 -14.640 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.216 -13.449 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.878 -14.085 -0.673 1.00 0.00 H new ATOM 1181 N THR A 78 -6.400 -12.737 -3.582 1.00 0.00 N ATOM 1182 CA THR A 78 -5.760 -11.455 -3.849 1.00 0.00 C ATOM 1183 C THR A 78 -5.289 -10.796 -2.557 1.00 0.00 C ATOM 1184 O THR A 78 -5.998 -10.804 -1.550 1.00 0.00 O ATOM 1185 CB THR A 78 -6.712 -10.494 -4.584 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.328 -11.165 -5.690 1.00 0.00 O ATOM 1187 CG2 THR A 78 -5.964 -9.267 -5.082 1.00 0.00 C ATOM 0 H THR A 78 -7.395 -12.766 -3.805 1.00 0.00 H new ATOM 0 HA THR A 78 -4.899 -11.658 -4.485 1.00 0.00 H new ATOM 0 HB THR A 78 -7.480 -10.171 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.933 -10.547 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.657 -8.603 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.521 -8.742 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.177 -9.575 -5.770 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.090 -10.225 -2.592 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.524 -9.562 -1.424 1.00 0.00 C ATOM 1197 C PHE A 79 -3.240 -8.091 -1.718 1.00 0.00 C ATOM 1198 O PHE A 79 -2.438 -7.766 -2.594 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.237 -10.263 -0.985 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.457 -11.665 -0.491 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.461 -11.942 0.423 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.661 -12.705 -0.941 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.665 -13.230 0.880 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.860 -13.996 -0.489 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.865 -14.259 0.422 1.00 0.00 C ATOM 0 H PHE A 79 -3.491 -10.208 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.254 -9.620 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.541 -10.287 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.765 -9.678 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.091 -11.142 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.875 -12.505 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.449 -13.432 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.231 -14.798 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.025 -15.267 0.775 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.904 -7.208 -0.980 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.724 -5.772 -1.162 1.00 0.00 C ATOM 1217 C ARG A 80 -2.890 -5.180 -0.029 1.00 0.00 C ATOM 1218 O ARG A 80 -3.312 -5.173 1.127 1.00 0.00 O ATOM 1219 CB ARG A 80 -5.083 -5.072 -1.229 1.00 0.00 C ATOM 1220 CG ARG A 80 -5.020 -3.678 -1.833 1.00 0.00 C ATOM 1221 CD ARG A 80 -6.394 -3.028 -1.878 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.525 -2.100 -2.998 1.00 0.00 N ATOM 1223 CZ ARG A 80 -6.141 -0.830 -2.948 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -5.606 -0.339 -1.839 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -6.293 -0.047 -4.009 1.00 0.00 N ATOM 0 H ARG A 80 -4.571 -7.461 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.194 -5.613 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.768 -5.683 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.498 -5.005 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.342 -3.057 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.610 -3.735 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.158 -3.801 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.574 -2.496 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.934 -2.446 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.488 -0.937 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.312 0.637 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.705 -0.421 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.998 0.929 -3.969 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.705 -4.687 -0.370 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.811 -4.094 0.618 1.00 0.00 C ATOM 1241 C TRP A 81 -0.737 -2.581 0.446 1.00 0.00 C ATOM 1242 O TRP A 81 -0.081 -2.083 -0.468 1.00 0.00 O ATOM 1243 CB TRP A 81 0.587 -4.702 0.501 1.00 0.00 C ATOM 1244 CG TRP A 81 1.450 -4.442 1.698 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.053 -4.416 3.005 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.856 -4.168 1.699 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.127 -4.143 3.817 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.245 -3.987 3.040 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.823 -4.060 0.696 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.559 -3.704 3.402 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.127 -3.778 1.057 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.486 -3.604 2.400 1.00 0.00 C ATOM 0 H TRP A 81 -1.341 -4.686 -1.323 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.211 -4.309 1.609 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.496 -5.778 0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.077 -4.300 -0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.043 -4.585 3.349 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.097 -4.068 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.556 -4.194 -0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.837 -3.568 4.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.883 -3.690 0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.514 -3.387 2.649 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.414 -1.855 1.331 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.424 -0.398 1.275 1.00 0.00 C ATOM 1265 C GLN A 82 -0.511 0.194 2.343 1.00 0.00 C ATOM 1266 O GLN A 82 -0.646 -0.111 3.529 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.848 0.130 1.454 1.00 0.00 C ATOM 1268 CG GLN A 82 -2.959 1.640 1.309 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.370 2.145 1.540 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.670 2.727 2.583 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.244 1.926 0.566 1.00 0.00 N ATOM 0 H GLN A 82 -1.962 -2.252 2.094 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.052 -0.094 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.498 -0.346 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.213 -0.160 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.284 2.120 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.632 1.931 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.952 1.439 -0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.208 2.244 0.665 1.00 0.00 H new ATOM 1280 N VAL A 83 0.420 1.041 1.916 1.00 0.00 N ATOM 1281 CA VAL A 83 1.356 1.677 2.837 1.00 0.00 C ATOM 1282 C VAL A 83 1.109 3.179 2.921 1.00 0.00 C ATOM 1283 O VAL A 83 0.844 3.834 1.912 1.00 0.00 O ATOM 1284 CB VAL A 83 2.815 1.431 2.412 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.766 2.256 3.266 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.153 -0.050 2.502 1.00 0.00 C ATOM 0 H VAL A 83 0.547 1.303 0.938 1.00 0.00 H new ATOM 0 HA VAL A 83 1.190 1.229 3.817 1.00 0.00 H new ATOM 0 HB VAL A 83 2.931 1.745 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.793 2.069 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.537 3.315 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.651 1.976 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.188 -0.206 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.021 -0.392 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.493 -0.615 1.844 1.00 0.00 H new ATOM 1296 N LYS A 84 1.197 3.721 4.131 1.00 0.00 N ATOM 1297 CA LYS A 84 0.986 5.147 4.349 1.00 0.00 C ATOM 1298 C LYS A 84 2.316 5.877 4.504 1.00 0.00 C ATOM 1299 O LYS A 84 3.038 5.672 5.481 1.00 0.00 O ATOM 1300 CB LYS A 84 0.121 5.371 5.591 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.696 6.651 5.541 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.777 6.664 6.608 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.517 7.993 6.635 1.00 0.00 C ATOM 1304 NZ LYS A 84 -3.443 8.089 7.797 1.00 0.00 N ATOM 0 H LYS A 84 1.413 3.193 4.977 1.00 0.00 H new ATOM 0 HA LYS A 84 0.471 5.550 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.554 4.524 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.763 5.394 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.038 7.509 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.153 6.754 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.484 5.856 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.329 6.476 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.796 8.809 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.081 8.113 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.928 9.009 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.147 7.325 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.902 8.000 8.681 1.00 0.00 H new ATOM 1318 N LEU A 85 2.634 6.729 3.536 1.00 0.00 N ATOM 1319 CA LEU A 85 3.878 7.491 3.566 1.00 0.00 C ATOM 1320 C LEU A 85 3.687 8.817 4.296 1.00 0.00 C ATOM 1321 O LEU A 85 2.736 9.552 4.030 1.00 0.00 O ATOM 1322 CB LEU A 85 4.376 7.748 2.142 1.00 0.00 C ATOM 1323 CG LEU A 85 4.280 6.568 1.175 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.134 7.061 -0.256 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.499 5.667 1.309 1.00 0.00 C ATOM 0 H LEU A 85 2.048 6.910 2.721 1.00 0.00 H new ATOM 0 HA LEU A 85 4.622 6.904 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.810 8.581 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.417 8.065 2.194 1.00 0.00 H new ATOM 0 HG LEU A 85 3.394 5.986 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.067 6.207 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.230 7.663 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.000 7.667 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.413 4.833 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.400 6.237 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.559 5.285 2.328 1.00 0.00 H new ATOM 1337 N ARG A 86 4.598 9.116 5.216 1.00 0.00 N ATOM 1338 CA ARG A 86 4.530 10.353 5.985 1.00 0.00 C ATOM 1339 C ARG A 86 4.398 11.560 5.060 1.00 0.00 C ATOM 1340 O ARG A 86 3.349 12.200 5.005 1.00 0.00 O ATOM 1341 CB ARG A 86 5.774 10.503 6.862 1.00 0.00 C ATOM 1342 CG ARG A 86 5.718 9.686 8.143 1.00 0.00 C ATOM 1343 CD ARG A 86 4.848 10.358 9.193 1.00 0.00 C ATOM 1344 NE ARG A 86 5.429 11.612 9.666 1.00 0.00 N ATOM 1345 CZ ARG A 86 5.143 12.157 10.843 1.00 0.00 C ATOM 1346 NH1 ARG A 86 4.288 11.562 11.663 1.00 0.00 N ATOM 1347 NH2 ARG A 86 5.713 13.300 11.202 1.00 0.00 N ATOM 0 H ARG A 86 5.392 8.519 5.447 1.00 0.00 H new ATOM 0 HA ARG A 86 3.648 10.307 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.651 10.204 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.904 11.555 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.326 8.692 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.726 9.552 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.860 10.551 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.710 9.682 10.037 1.00 0.00 H new ATOM 0 HE ARG A 86 6.091 12.096 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.848 10.683 11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.070 11.983 12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.371 13.761 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.493 13.718 12.106 1.00 0.00 H new ATOM 1361 N ASN A 87 5.471 11.865 4.337 1.00 0.00 N ATOM 1362 CA ASN A 87 5.475 12.996 3.416 1.00 0.00 C ATOM 1363 C ASN A 87 4.905 12.595 2.060 1.00 0.00 C ATOM 1364 O ASN A 87 4.501 11.449 1.858 1.00 0.00 O ATOM 1365 CB ASN A 87 6.897 13.535 3.245 1.00 0.00 C ATOM 1366 CG ASN A 87 7.605 13.732 4.572 1.00 0.00 C ATOM 1367 OD1 ASN A 87 8.932 13.687 4.547 1.00 0.00 O flip ATOM 1368 ND2 ASN A 87 6.966 13.922 5.607 1.00 0.00 N flip ATOM 0 H ASN A 87 6.348 11.345 4.371 1.00 0.00 H new ATOM 0 HA ASN A 87 4.845 13.779 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.472 12.845 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.861 14.485 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.947 13.949 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.456 14.053 6.492 1.00 0.00 H new ATOM 1375 N LEU A 88 4.875 13.546 1.132 1.00 0.00 N ATOM 1376 CA LEU A 88 4.354 13.293 -0.207 1.00 0.00 C ATOM 1377 C LEU A 88 5.429 12.686 -1.103 1.00 0.00 C ATOM 1378 O LEU A 88 6.615 12.717 -0.774 1.00 0.00 O ATOM 1379 CB LEU A 88 3.830 14.590 -0.825 1.00 0.00 C ATOM 1380 CG LEU A 88 2.408 14.994 -0.433 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.054 16.347 -1.030 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.410 13.935 -0.879 1.00 0.00 C ATOM 0 H LEU A 88 5.205 14.499 1.282 1.00 0.00 H new ATOM 0 HA LEU A 88 3.533 12.581 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.505 15.400 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.873 14.495 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 88 2.360 15.075 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.039 16.618 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.750 17.101 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.119 16.294 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.404 14.239 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.459 13.822 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.651 12.984 -0.403 1.00 0.00 H new ATOM 1394 N ILE A 89 5.006 12.137 -2.237 1.00 0.00 N ATOM 1395 CA ILE A 89 5.933 11.527 -3.182 1.00 0.00 C ATOM 1396 C ILE A 89 5.448 11.701 -4.617 1.00 0.00 C ATOM 1397 O ILE A 89 4.379 12.260 -4.858 1.00 0.00 O ATOM 1398 CB ILE A 89 6.123 10.026 -2.894 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.782 9.293 -2.985 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.751 9.824 -1.524 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.909 7.856 -3.441 1.00 0.00 C ATOM 0 H ILE A 89 4.028 12.102 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 89 6.889 12.036 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 89 6.795 9.610 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.298 9.314 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.130 9.829 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.879 8.758 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.723 10.317 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.102 10.252 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.920 7.399 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.364 7.827 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.534 7.305 -2.738 1.00 0.00 H new ATOM 1413 N GLU A 90 6.242 11.216 -5.567 1.00 0.00 N ATOM 1414 CA GLU A 90 5.892 11.317 -6.979 1.00 0.00 C ATOM 1415 C GLU A 90 5.699 9.933 -7.592 1.00 0.00 C ATOM 1416 O GLU A 90 6.652 9.269 -8.001 1.00 0.00 O ATOM 1417 CB GLU A 90 6.978 12.078 -7.743 1.00 0.00 C ATOM 1418 CG GLU A 90 6.992 13.570 -7.455 1.00 0.00 C ATOM 1419 CD GLU A 90 8.377 14.175 -7.576 1.00 0.00 C ATOM 1420 OE1 GLU A 90 9.344 13.540 -7.107 1.00 0.00 O ATOM 1421 OE2 GLU A 90 8.494 15.283 -8.140 1.00 0.00 O ATOM 0 H GLU A 90 7.131 10.750 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 90 4.952 11.864 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.951 11.658 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.834 11.924 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.317 14.076 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.610 13.746 -6.450 1.00 0.00 H new ATOM 1428 N PRO A 91 4.436 9.486 -7.658 1.00 0.00 N ATOM 1429 CA PRO A 91 4.088 8.178 -8.220 1.00 0.00 C ATOM 1430 C PRO A 91 4.290 8.123 -9.730 1.00 0.00 C ATOM 1431 O PRO A 91 4.279 7.047 -10.328 1.00 0.00 O ATOM 1432 CB PRO A 91 2.605 8.027 -7.873 1.00 0.00 C ATOM 1433 CG PRO A 91 2.103 9.423 -7.738 1.00 0.00 C ATOM 1434 CD PRO A 91 3.251 10.225 -7.190 1.00 0.00 C ATOM 0 HA PRO A 91 4.717 7.382 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.069 7.487 -8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.470 7.467 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.778 9.815 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.243 9.466 -7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.242 11.248 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.217 10.284 -6.102 1.00 0.00 H new ATOM 1442 N GLU A 92 4.473 9.290 -10.341 1.00 0.00 N ATOM 1443 CA GLU A 92 4.677 9.372 -11.783 1.00 0.00 C ATOM 1444 C GLU A 92 6.055 8.844 -12.169 1.00 0.00 C ATOM 1445 O GLU A 92 6.303 8.516 -13.329 1.00 0.00 O ATOM 1446 CB GLU A 92 4.521 10.818 -12.260 1.00 0.00 C ATOM 1447 CG GLU A 92 3.091 11.191 -12.614 1.00 0.00 C ATOM 1448 CD GLU A 92 2.769 10.948 -14.076 1.00 0.00 C ATOM 1449 OE1 GLU A 92 3.387 11.607 -14.937 1.00 0.00 O ATOM 1450 OE2 GLU A 92 1.899 10.097 -14.357 1.00 0.00 O ATOM 0 H GLU A 92 4.484 10.190 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 92 3.922 8.753 -12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.880 11.490 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.155 10.974 -13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.405 10.614 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.925 12.242 -12.379 1.00 0.00 H new ATOM 1457 N GLN A 93 6.948 8.765 -11.187 1.00 0.00 N ATOM 1458 CA GLN A 93 8.302 8.278 -11.424 1.00 0.00 C ATOM 1459 C GLN A 93 8.501 6.899 -10.804 1.00 0.00 C ATOM 1460 O GLN A 93 9.353 6.126 -11.244 1.00 0.00 O ATOM 1461 CB GLN A 93 9.327 9.259 -10.853 1.00 0.00 C ATOM 1462 CG GLN A 93 8.835 10.697 -10.810 1.00 0.00 C ATOM 1463 CD GLN A 93 7.958 11.050 -11.995 1.00 0.00 C ATOM 1464 OE1 GLN A 93 8.073 10.453 -13.066 1.00 0.00 O ATOM 1465 NE2 GLN A 93 7.075 12.024 -11.810 1.00 0.00 N ATOM 0 H GLN A 93 6.758 9.032 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 93 8.448 8.197 -12.501 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.595 8.945 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.236 9.212 -11.453 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.276 10.858 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.692 11.370 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.014 12.492 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.458 12.304 -12.572 1.00 0.00 H new ATOM 1474 N CYS A 94 7.709 6.596 -9.781 1.00 0.00 N ATOM 1475 CA CYS A 94 7.799 5.310 -9.100 1.00 0.00 C ATOM 1476 C CYS A 94 7.802 4.162 -10.104 1.00 0.00 C ATOM 1477 O CYS A 94 7.416 4.332 -11.260 1.00 0.00 O ATOM 1478 CB CYS A 94 6.634 5.145 -8.122 1.00 0.00 C ATOM 1479 SG CYS A 94 6.751 6.190 -6.651 1.00 0.00 S ATOM 0 H CYS A 94 6.998 7.223 -9.405 1.00 0.00 H new ATOM 0 HA CYS A 94 8.737 5.285 -8.545 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.703 5.371 -8.642 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.580 4.102 -7.810 1.00 0.00 H new ATOM 0 HG CYS A 94 6.707 7.441 -7.003 1.00 0.00 H new ATOM 1485 N THR A 95 8.243 2.991 -9.654 1.00 0.00 N ATOM 1486 CA THR A 95 8.300 1.815 -10.513 1.00 0.00 C ATOM 1487 C THR A 95 8.157 0.533 -9.701 1.00 0.00 C ATOM 1488 O THR A 95 8.640 0.445 -8.571 1.00 0.00 O ATOM 1489 CB THR A 95 9.620 1.762 -11.306 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.728 1.648 -10.407 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.784 3.006 -12.166 1.00 0.00 C ATOM 0 H THR A 95 8.566 2.832 -8.700 1.00 0.00 H new ATOM 0 HA THR A 95 7.467 1.894 -11.212 1.00 0.00 H new ATOM 0 HB THR A 95 9.592 0.889 -11.958 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.563 1.613 -10.919 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.723 2.946 -12.717 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.954 3.074 -12.870 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.793 3.890 -11.529 1.00 0.00 H new ATOM 1499 N PHE A 96 7.492 -0.460 -10.282 1.00 0.00 N ATOM 1500 CA PHE A 96 7.285 -1.738 -9.612 1.00 0.00 C ATOM 1501 C PHE A 96 7.631 -2.900 -10.538 1.00 0.00 C ATOM 1502 O PHE A 96 7.110 -2.998 -11.650 1.00 0.00 O ATOM 1503 CB PHE A 96 5.835 -1.861 -9.139 1.00 0.00 C ATOM 1504 CG PHE A 96 4.911 -2.425 -10.180 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.270 -1.590 -11.081 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.684 -3.789 -10.259 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.418 -2.105 -12.039 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.834 -4.311 -11.215 1.00 0.00 C ATOM 1509 CZ PHE A 96 3.201 -3.468 -12.107 1.00 0.00 C ATOM 0 H PHE A 96 7.087 -0.404 -11.216 1.00 0.00 H new ATOM 0 HA PHE A 96 7.946 -1.778 -8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.803 -2.496 -8.254 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.474 -0.877 -8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.438 -0.524 -11.034 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.178 -4.453 -9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.922 -1.443 -12.734 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.665 -5.377 -11.265 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.537 -3.873 -12.857 1.00 0.00 H new ATOM 1519 N CYS A 97 8.511 -3.779 -10.072 1.00 0.00 N ATOM 1520 CA CYS A 97 8.928 -4.934 -10.858 1.00 0.00 C ATOM 1521 C CYS A 97 9.298 -6.104 -9.951 1.00 0.00 C ATOM 1522 O CYS A 97 10.062 -5.947 -8.999 1.00 0.00 O ATOM 1523 CB CYS A 97 10.116 -4.569 -11.749 1.00 0.00 C ATOM 1524 SG CYS A 97 9.650 -3.904 -13.365 1.00 0.00 S ATOM 0 H CYS A 97 8.950 -3.714 -9.153 1.00 0.00 H new ATOM 0 HA CYS A 97 8.091 -5.236 -11.487 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.733 -3.835 -11.231 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.732 -5.456 -11.897 1.00 0.00 H new ATOM 0 HG CYS A 97 8.494 -3.316 -13.275 1.00 0.00 H new ATOM 1530 N PHE A 98 8.749 -7.276 -10.253 1.00 0.00 N ATOM 1531 CA PHE A 98 9.019 -8.472 -9.464 1.00 0.00 C ATOM 1532 C PHE A 98 10.439 -8.976 -9.708 1.00 0.00 C ATOM 1533 O PHE A 98 11.051 -8.672 -10.732 1.00 0.00 O ATOM 1534 CB PHE A 98 8.010 -9.571 -9.804 1.00 0.00 C ATOM 1535 CG PHE A 98 6.580 -9.124 -9.705 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.981 -8.437 -10.748 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.835 -9.390 -8.567 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.665 -8.024 -10.660 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.518 -8.979 -8.474 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.933 -8.295 -9.521 1.00 0.00 C ATOM 0 H PHE A 98 8.115 -7.423 -11.038 1.00 0.00 H new ATOM 0 HA PHE A 98 8.921 -8.212 -8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.201 -9.928 -10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.165 -10.416 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.549 -8.221 -11.641 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.288 -9.924 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.210 -7.490 -11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.947 -9.193 -7.583 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.905 -7.973 -9.449 1.00 0.00 H new ATOM 1550 N THR A 99 10.957 -9.749 -8.759 1.00 0.00 N ATOM 1551 CA THR A 99 12.304 -10.295 -8.868 1.00 0.00 C ATOM 1552 C THR A 99 12.301 -11.809 -8.693 1.00 0.00 C ATOM 1553 O THR A 99 11.242 -12.432 -8.617 1.00 0.00 O ATOM 1554 CB THR A 99 13.250 -9.670 -7.825 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.301 -10.494 -6.655 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.789 -8.271 -7.446 1.00 0.00 C ATOM 0 H THR A 99 10.464 -10.011 -7.906 1.00 0.00 H new ATOM 0 HA THR A 99 12.664 -10.049 -9.867 1.00 0.00 H new ATOM 0 HB THR A 99 14.245 -9.601 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.169 -10.947 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.472 -7.850 -6.708 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.779 -7.638 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.785 -8.321 -7.024 1.00 0.00 H new ATOM 1564 N ALA A 100 13.492 -12.395 -8.627 1.00 0.00 N ATOM 1565 CA ALA A 100 13.625 -13.837 -8.457 1.00 0.00 C ATOM 1566 C ALA A 100 12.673 -14.353 -7.384 1.00 0.00 C ATOM 1567 O ALA A 100 11.652 -14.970 -7.691 1.00 0.00 O ATOM 1568 CB ALA A 100 15.062 -14.196 -8.108 1.00 0.00 C ATOM 0 H ALA A 100 14.378 -11.894 -8.689 1.00 0.00 H new ATOM 0 HA ALA A 100 13.361 -14.316 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.147 -15.276 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.724 -13.870 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.346 -13.700 -7.180 1.00 0.00 H new ATOM 1574 N SER A 101 13.013 -14.098 -6.125 1.00 0.00 N ATOM 1575 CA SER A 101 12.190 -14.542 -5.005 1.00 0.00 C ATOM 1576 C SER A 101 11.725 -13.354 -4.169 1.00 0.00 C ATOM 1577 O SER A 101 11.319 -13.513 -3.018 1.00 0.00 O ATOM 1578 CB SER A 101 12.971 -15.523 -4.128 1.00 0.00 C ATOM 1579 OG SER A 101 14.363 -15.265 -4.189 1.00 0.00 O ATOM 0 H SER A 101 13.853 -13.586 -5.854 1.00 0.00 H new ATOM 0 HA SER A 101 11.312 -15.046 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.628 -15.445 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.773 -16.544 -4.454 1.00 0.00 H new ATOM 0 HG SER A 101 14.839 -15.904 -3.619 1.00 0.00 H new ATOM 1585 N ARG A 102 11.786 -12.164 -4.758 1.00 0.00 N ATOM 1586 CA ARG A 102 11.372 -10.948 -4.068 1.00 0.00 C ATOM 1587 C ARG A 102 10.841 -9.915 -5.057 1.00 0.00 C ATOM 1588 O ARG A 102 10.949 -10.092 -6.271 1.00 0.00 O ATOM 1589 CB ARG A 102 12.544 -10.360 -3.279 1.00 0.00 C ATOM 1590 CG ARG A 102 13.576 -9.664 -4.150 1.00 0.00 C ATOM 1591 CD ARG A 102 14.446 -8.719 -3.336 1.00 0.00 C ATOM 1592 NE ARG A 102 15.452 -8.054 -4.161 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.568 -8.642 -4.575 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.821 -9.901 -4.245 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.435 -7.971 -5.323 1.00 0.00 N ATOM 0 H ARG A 102 12.118 -12.016 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 102 10.571 -11.208 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.159 -9.649 -2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.032 -11.159 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.204 -10.409 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.071 -9.107 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.817 -7.969 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.940 -9.276 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 102 15.288 -7.085 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.157 -10.421 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.679 -10.349 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.244 -7.003 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.292 -8.424 -5.641 1.00 0.00 H new ATOM 1609 N ILE A 103 10.269 -8.838 -4.530 1.00 0.00 N ATOM 1610 CA ILE A 103 9.723 -7.777 -5.367 1.00 0.00 C ATOM 1611 C ILE A 103 10.478 -6.469 -5.159 1.00 0.00 C ATOM 1612 O ILE A 103 10.837 -6.120 -4.035 1.00 0.00 O ATOM 1613 CB ILE A 103 8.228 -7.546 -5.078 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.496 -8.884 -4.958 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.603 -6.690 -6.170 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.214 -8.802 -4.159 1.00 0.00 C ATOM 0 H ILE A 103 10.172 -8.677 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 103 9.839 -8.100 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 103 8.135 -7.016 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.269 -9.255 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.160 -9.611 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.546 -6.536 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.110 -5.726 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.705 -7.195 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.749 -9.787 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.437 -8.461 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.532 -8.099 -4.637 1.00 0.00 H new ATOM 1628 N ASP A 104 10.714 -5.749 -6.251 1.00 0.00 N ATOM 1629 CA ASP A 104 11.424 -4.477 -6.189 1.00 0.00 C ATOM 1630 C ASP A 104 10.486 -3.315 -6.499 1.00 0.00 C ATOM 1631 O ASP A 104 9.767 -3.335 -7.498 1.00 0.00 O ATOM 1632 CB ASP A 104 12.599 -4.476 -7.168 1.00 0.00 C ATOM 1633 CG ASP A 104 13.847 -5.100 -6.576 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.718 -5.881 -5.610 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.952 -4.807 -7.078 1.00 0.00 O ATOM 0 H ASP A 104 10.424 -6.025 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 104 11.806 -4.351 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.317 -5.020 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.817 -3.451 -7.469 1.00 0.00 H new ATOM 1640 N ILE A 105 10.497 -2.305 -5.636 1.00 0.00 N ATOM 1641 CA ILE A 105 9.647 -1.135 -5.818 1.00 0.00 C ATOM 1642 C ILE A 105 10.426 0.153 -5.577 1.00 0.00 C ATOM 1643 O ILE A 105 10.873 0.422 -4.461 1.00 0.00 O ATOM 1644 CB ILE A 105 8.431 -1.170 -4.874 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.549 -2.381 -5.187 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.632 0.119 -4.992 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.756 -2.875 -3.997 1.00 0.00 C ATOM 0 H ILE A 105 11.085 -2.273 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 105 9.296 -1.157 -6.850 1.00 0.00 H new ATOM 0 HB ILE A 105 8.788 -1.260 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.859 -2.120 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.177 -3.192 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.776 0.079 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.265 0.965 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.282 0.238 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.154 -3.734 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.440 -3.167 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.102 -2.079 -3.640 1.00 0.00 H new ATOM 1659 N CYS A 106 10.585 0.948 -6.630 1.00 0.00 N ATOM 1660 CA CYS A 106 11.309 2.210 -6.534 1.00 0.00 C ATOM 1661 C CYS A 106 10.351 3.369 -6.277 1.00 0.00 C ATOM 1662 O CYS A 106 9.543 3.722 -7.137 1.00 0.00 O ATOM 1663 CB CYS A 106 12.105 2.464 -7.815 1.00 0.00 C ATOM 1664 SG CYS A 106 13.591 3.466 -7.574 1.00 0.00 S ATOM 0 H CYS A 106 10.222 0.740 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 106 12.000 2.141 -5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.392 1.506 -8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.459 2.960 -8.539 1.00 0.00 H new ATOM 0 HG CYS A 106 14.197 3.624 -8.713 1.00 0.00 H new ATOM 1670 N LEU A 107 10.447 3.956 -5.090 1.00 0.00 N ATOM 1671 CA LEU A 107 9.587 5.075 -4.718 1.00 0.00 C ATOM 1672 C LEU A 107 10.346 6.395 -4.801 1.00 0.00 C ATOM 1673 O LEU A 107 11.301 6.622 -4.057 1.00 0.00 O ATOM 1674 CB LEU A 107 9.040 4.876 -3.304 1.00 0.00 C ATOM 1675 CG LEU A 107 8.066 3.712 -3.119 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.131 3.183 -1.694 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.648 4.144 -3.465 1.00 0.00 C ATOM 0 H LEU A 107 11.111 3.676 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 107 8.754 5.111 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.882 4.730 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.540 5.794 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 107 8.356 2.909 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.431 2.355 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.142 2.835 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.867 3.979 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.968 3.303 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.348 4.964 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.611 4.475 -4.503 1.00 0.00 H new ATOM 1689 N ARG A 108 9.914 7.264 -5.709 1.00 0.00 N ATOM 1690 CA ARG A 108 10.552 8.563 -5.889 1.00 0.00 C ATOM 1691 C ARG A 108 9.838 9.637 -5.073 1.00 0.00 C ATOM 1692 O ARG A 108 8.711 10.022 -5.386 1.00 0.00 O ATOM 1693 CB ARG A 108 10.560 8.951 -7.368 1.00 0.00 C ATOM 1694 CG ARG A 108 11.148 10.328 -7.633 1.00 0.00 C ATOM 1695 CD ARG A 108 12.641 10.360 -7.349 1.00 0.00 C ATOM 1696 NE ARG A 108 13.422 9.826 -8.461 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.739 8.542 -8.587 1.00 0.00 C ATOM 1698 NH1 ARG A 108 13.344 7.666 -7.674 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.453 8.132 -9.628 1.00 0.00 N ATOM 0 H ARG A 108 9.125 7.092 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 108 11.580 8.487 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.129 8.208 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.539 8.922 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.968 10.608 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.642 11.067 -7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.950 11.386 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.851 9.783 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 108 13.742 10.474 -9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.795 7.977 -6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.589 6.681 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.759 8.803 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.696 7.146 -9.723 1.00 0.00 H new ATOM 1713 N LYS A 109 10.500 10.116 -4.026 1.00 0.00 N ATOM 1714 CA LYS A 109 9.930 11.145 -3.165 1.00 0.00 C ATOM 1715 C LYS A 109 10.026 12.518 -3.823 1.00 0.00 C ATOM 1716 O LYS A 109 10.760 12.702 -4.794 1.00 0.00 O ATOM 1717 CB LYS A 109 10.649 11.164 -1.814 1.00 0.00 C ATOM 1718 CG LYS A 109 10.796 9.790 -1.184 1.00 0.00 C ATOM 1719 CD LYS A 109 11.241 9.886 0.265 1.00 0.00 C ATOM 1720 CE LYS A 109 12.691 10.334 0.375 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.263 10.037 1.717 1.00 0.00 N ATOM 0 H LYS A 109 11.433 9.808 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 109 8.878 10.910 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.638 11.602 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.101 11.812 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.845 9.260 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.521 9.205 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.601 10.589 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.121 8.916 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.284 9.835 -0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.756 11.405 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.252 10.357 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.713 10.533 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.225 9.012 1.892 1.00 0.00 H new ATOM 1735 N ARG A 110 9.281 13.479 -3.287 1.00 0.00 N ATOM 1736 CA ARG A 110 9.282 14.835 -3.822 1.00 0.00 C ATOM 1737 C ARG A 110 10.458 15.636 -3.271 1.00 0.00 C ATOM 1738 O ARG A 110 11.118 16.372 -4.004 1.00 0.00 O ATOM 1739 CB ARG A 110 7.967 15.541 -3.485 1.00 0.00 C ATOM 1740 CG ARG A 110 6.847 15.244 -4.468 1.00 0.00 C ATOM 1741 CD ARG A 110 5.554 15.936 -4.065 1.00 0.00 C ATOM 1742 NE ARG A 110 4.708 16.230 -5.218 1.00 0.00 N ATOM 1743 CZ ARG A 110 3.405 16.475 -5.131 1.00 0.00 C ATOM 1744 NH1 ARG A 110 2.803 16.460 -3.950 1.00 0.00 N ATOM 1745 NH2 ARG A 110 2.703 16.735 -6.226 1.00 0.00 N ATOM 0 H ARG A 110 8.669 13.344 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 110 9.384 14.771 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.650 15.243 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.139 16.617 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.141 15.571 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.684 14.168 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 110 5.007 15.303 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.787 16.863 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 110 5.141 16.248 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.340 16.260 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.803 16.648 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.163 16.747 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.703 16.923 -6.158 1.00 0.00 H new ATOM 1759 N GLN A 111 10.712 15.488 -1.975 1.00 0.00 N ATOM 1760 CA GLN A 111 11.807 16.199 -1.325 1.00 0.00 C ATOM 1761 C GLN A 111 12.699 15.234 -0.551 1.00 0.00 C ATOM 1762 O GLN A 111 12.259 14.160 -0.140 1.00 0.00 O ATOM 1763 CB GLN A 111 11.259 17.272 -0.384 1.00 0.00 C ATOM 1764 CG GLN A 111 10.765 18.517 -1.102 1.00 0.00 C ATOM 1765 CD GLN A 111 10.567 19.692 -0.165 1.00 0.00 C ATOM 1766 OE1 GLN A 111 9.738 19.644 0.744 1.00 0.00 O ATOM 1767 NE2 GLN A 111 11.330 20.758 -0.382 1.00 0.00 N ATOM 0 H GLN A 111 10.175 14.882 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 111 12.407 16.677 -2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.440 16.849 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.039 17.556 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.480 18.792 -1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.823 18.293 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.005 20.755 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.241 21.579 0.217 1.00 0.00 H new ATOM 1776 N SER A 112 13.955 15.623 -0.356 1.00 0.00 N ATOM 1777 CA SER A 112 14.910 14.791 0.366 1.00 0.00 C ATOM 1778 C SER A 112 14.917 15.135 1.852 1.00 0.00 C ATOM 1779 O SER A 112 15.824 15.809 2.339 1.00 0.00 O ATOM 1780 CB SER A 112 16.314 14.967 -0.217 1.00 0.00 C ATOM 1781 OG SER A 112 17.270 14.231 0.526 1.00 0.00 O ATOM 0 H SER A 112 14.335 16.509 -0.688 1.00 0.00 H new ATOM 0 HA SER A 112 14.605 13.751 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.324 14.637 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.582 16.023 -0.215 1.00 0.00 H new ATOM 0 HG SER A 112 18.159 14.359 0.133 1.00 0.00 H new ATOM 1787 N GLN A 113 13.899 14.666 2.566 1.00 0.00 N ATOM 1788 CA GLN A 113 13.786 14.925 3.997 1.00 0.00 C ATOM 1789 C GLN A 113 13.645 13.622 4.776 1.00 0.00 C ATOM 1790 O GLN A 113 13.364 12.570 4.200 1.00 0.00 O ATOM 1791 CB GLN A 113 12.589 15.834 4.280 1.00 0.00 C ATOM 1792 CG GLN A 113 11.246 15.152 4.077 1.00 0.00 C ATOM 1793 CD GLN A 113 10.076 16.053 4.422 1.00 0.00 C ATOM 1794 OE1 GLN A 113 9.100 16.126 3.525 1.00 0.00 O flip ATOM 1795 NE2 GLN A 113 10.050 16.677 5.484 1.00 0.00 N flip ATOM 0 H GLN A 113 13.141 14.105 2.178 1.00 0.00 H new ATOM 0 HA GLN A 113 14.698 15.426 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 113 12.652 16.195 5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 113 12.645 16.708 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.159 14.831 3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.202 14.254 4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.822 16.591 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.256 17.279 5.702 1.00 0.00 H new ATOM 1804 N ARG A 114 13.843 13.698 6.088 1.00 0.00 N ATOM 1805 CA ARG A 114 13.739 12.524 6.946 1.00 0.00 C ATOM 1806 C ARG A 114 12.310 11.990 6.966 1.00 0.00 C ATOM 1807 O ARG A 114 11.350 12.755 6.874 1.00 0.00 O ATOM 1808 CB ARG A 114 14.189 12.864 8.368 1.00 0.00 C ATOM 1809 CG ARG A 114 13.404 14.002 8.999 1.00 0.00 C ATOM 1810 CD ARG A 114 13.597 14.044 10.507 1.00 0.00 C ATOM 1811 NE ARG A 114 14.800 14.782 10.884 1.00 0.00 N ATOM 1812 CZ ARG A 114 16.013 14.241 10.918 1.00 0.00 C ATOM 1813 NH1 ARG A 114 16.183 12.966 10.598 1.00 0.00 N ATOM 1814 NH2 ARG A 114 17.059 14.978 11.272 1.00 0.00 N ATOM 0 H ARG A 114 14.076 14.560 6.580 1.00 0.00 H new ATOM 0 HA ARG A 114 14.391 11.750 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 114 14.092 11.976 8.993 1.00 0.00 H new ATOM 0 HB3 ARG A 114 15.246 13.128 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 114 13.722 14.950 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 114 12.345 13.885 8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.727 14.508 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 114 13.660 13.027 10.893 1.00 0.00 H new ATOM 0 HE ARG A 114 14.704 15.766 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 114 15.381 12.398 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.115 12.553 10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.931 15.960 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.990 14.563 11.298 1.00 0.00 H new ATOM 1828 N TRP A 115 12.178 10.674 7.087 1.00 0.00 N ATOM 1829 CA TRP A 115 10.865 10.038 7.119 1.00 0.00 C ATOM 1830 C TRP A 115 10.607 9.392 8.475 1.00 0.00 C ATOM 1831 O TRP A 115 9.465 9.310 8.927 1.00 0.00 O ATOM 1832 CB TRP A 115 10.757 8.989 6.011 1.00 0.00 C ATOM 1833 CG TRP A 115 10.224 9.538 4.723 1.00 0.00 C ATOM 1834 CD1 TRP A 115 10.247 10.841 4.315 1.00 0.00 C ATOM 1835 CD2 TRP A 115 9.585 8.799 3.676 1.00 0.00 C ATOM 1836 NE1 TRP A 115 9.662 10.957 3.077 1.00 0.00 N ATOM 1837 CE2 TRP A 115 9.249 9.719 2.663 1.00 0.00 C ATOM 1838 CE3 TRP A 115 9.267 7.451 3.494 1.00 0.00 C ATOM 1839 CZ2 TRP A 115 8.609 9.331 1.488 1.00 0.00 C ATOM 1840 CZ3 TRP A 115 8.632 7.068 2.328 1.00 0.00 C ATOM 1841 CH2 TRP A 115 8.309 8.005 1.337 1.00 0.00 C ATOM 0 H TRP A 115 12.963 10.027 7.165 1.00 0.00 H new ATOM 0 HA TRP A 115 10.111 10.808 6.955 1.00 0.00 H new ATOM 0 HB2 TRP A 115 11.741 8.556 5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 115 10.109 8.180 6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 115 10.664 11.660 4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 115 9.553 11.825 2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 115 9.513 6.721 4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 8.359 10.052 0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 8.380 6.029 2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 115 7.813 7.674 0.436 1.00 0.00 H new ATOM 1852 N GLY A 116 11.675 8.934 9.122 1.00 0.00 N ATOM 1853 CA GLY A 116 11.541 8.300 10.421 1.00 0.00 C ATOM 1854 C GLY A 116 10.670 7.061 10.374 1.00 0.00 C ATOM 1855 O GLY A 116 9.953 6.761 11.328 1.00 0.00 O ATOM 0 H GLY A 116 12.631 8.991 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.529 8.032 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.116 9.013 11.128 1.00 0.00 H new ATOM 1859 N GLY A 117 10.730 6.338 9.259 1.00 0.00 N ATOM 1860 CA GLY A 117 9.934 5.134 9.112 1.00 0.00 C ATOM 1861 C GLY A 117 9.090 5.146 7.853 1.00 0.00 C ATOM 1862 O GLY A 117 8.336 6.090 7.612 1.00 0.00 O ATOM 0 H GLY A 117 11.316 6.565 8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.593 4.266 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.284 5.024 9.980 1.00 0.00 H new ATOM 1866 N LEU A 118 9.216 4.098 7.048 1.00 0.00 N ATOM 1867 CA LEU A 118 8.460 3.992 5.805 1.00 0.00 C ATOM 1868 C LEU A 118 6.967 4.173 6.059 1.00 0.00 C ATOM 1869 O LEU A 118 6.351 5.110 5.553 1.00 0.00 O ATOM 1870 CB LEU A 118 8.716 2.637 5.143 1.00 0.00 C ATOM 1871 CG LEU A 118 8.177 2.473 3.721 1.00 0.00 C ATOM 1872 CD1 LEU A 118 9.179 3.001 2.706 1.00 0.00 C ATOM 1873 CD2 LEU A 118 7.851 1.013 3.440 1.00 0.00 C ATOM 0 H LEU A 118 9.835 3.309 7.233 1.00 0.00 H new ATOM 0 HA LEU A 118 8.795 4.785 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.792 2.461 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.276 1.860 5.769 1.00 0.00 H new ATOM 0 HG LEU A 118 7.259 3.054 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.778 2.876 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 118 9.364 4.059 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.114 2.447 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.469 0.915 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.753 0.411 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.097 0.666 4.147 1.00 0.00 H new ATOM 1885 N GLU A 119 6.393 3.270 6.848 1.00 0.00 N ATOM 1886 CA GLU A 119 4.972 3.332 7.170 1.00 0.00 C ATOM 1887 C GLU A 119 4.714 4.318 8.305 1.00 0.00 C ATOM 1888 O GLU A 119 5.505 4.423 9.242 1.00 0.00 O ATOM 1889 CB GLU A 119 4.453 1.945 7.556 1.00 0.00 C ATOM 1890 CG GLU A 119 4.809 0.861 6.553 1.00 0.00 C ATOM 1891 CD GLU A 119 4.355 -0.516 6.997 1.00 0.00 C ATOM 1892 OE1 GLU A 119 4.721 -0.930 8.117 1.00 0.00 O ATOM 1893 OE2 GLU A 119 3.634 -1.180 6.223 1.00 0.00 O ATOM 0 H GLU A 119 6.889 2.488 7.275 1.00 0.00 H new ATOM 0 HA GLU A 119 4.439 3.678 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.858 1.673 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.369 1.988 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.353 1.097 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.888 0.852 6.401 1.00 0.00 H new ATOM 1900 N ALA A 120 3.601 5.039 8.214 1.00 0.00 N ATOM 1901 CA ALA A 120 3.237 6.016 9.233 1.00 0.00 C ATOM 1902 C ALA A 120 3.015 5.343 10.583 1.00 0.00 C ATOM 1903 O ALA A 120 2.452 4.252 10.675 1.00 0.00 O ATOM 1904 CB ALA A 120 1.991 6.780 8.811 1.00 0.00 C ATOM 0 H ALA A 120 2.936 4.965 7.445 1.00 0.00 H new ATOM 0 HA ALA A 120 4.063 6.720 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 120 1.731 7.506 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.183 7.300 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.165 6.082 8.676 1.00 0.00 H new ATOM 1910 N PRO A 121 3.468 6.007 11.657 1.00 0.00 N ATOM 1911 CA PRO A 121 3.330 5.491 13.022 1.00 0.00 C ATOM 1912 C PRO A 121 1.884 5.503 13.504 1.00 0.00 C ATOM 1913 O PRO A 121 0.968 5.808 12.740 1.00 0.00 O ATOM 1914 CB PRO A 121 4.178 6.457 13.854 1.00 0.00 C ATOM 1915 CG PRO A 121 4.192 7.722 13.068 1.00 0.00 C ATOM 1916 CD PRO A 121 4.149 7.312 11.622 1.00 0.00 C ATOM 0 HA PRO A 121 3.646 4.450 13.097 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.747 6.610 14.843 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.187 6.072 14.002 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.337 8.348 13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.088 8.304 13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.602 8.034 11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.150 7.232 11.197 1.00 0.00 H new ATOM 1924 N ALA A 122 1.684 5.169 14.774 1.00 0.00 N ATOM 1925 CA ALA A 122 0.349 5.144 15.357 1.00 0.00 C ATOM 1926 C ALA A 122 0.411 4.908 16.863 1.00 0.00 C ATOM 1927 O ALA A 122 1.254 4.153 17.347 1.00 0.00 O ATOM 1928 CB ALA A 122 -0.500 4.074 14.688 1.00 0.00 C ATOM 0 H ALA A 122 2.431 4.912 15.420 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.112 6.117 15.187 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.495 4.067 15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.582 4.288 13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.033 3.099 14.828 1.00 0.00 H new ATOM 1934 N ALA A 123 -0.486 5.558 17.597 1.00 0.00 N ATOM 1935 CA ALA A 123 -0.533 5.416 19.047 1.00 0.00 C ATOM 1936 C ALA A 123 -0.701 3.956 19.451 1.00 0.00 C ATOM 1937 O ALA A 123 -1.812 3.425 19.451 1.00 0.00 O ATOM 1938 CB ALA A 123 -1.663 6.258 19.623 1.00 0.00 C ATOM 0 H ALA A 123 -1.190 6.188 17.212 1.00 0.00 H new ATOM 0 HA ALA A 123 0.414 5.771 19.453 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.687 6.143 20.707 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.499 7.306 19.373 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -2.613 5.929 19.202 1.00 0.00 H new ATOM 1944 N ARG A 124 0.409 3.311 19.794 1.00 0.00 N ATOM 1945 CA ARG A 124 0.385 1.910 20.198 1.00 0.00 C ATOM 1946 C ARG A 124 1.197 1.698 21.473 1.00 0.00 C ATOM 1947 O ARG A 124 1.808 2.631 21.995 1.00 0.00 O ATOM 1948 CB ARG A 124 0.933 1.024 19.078 1.00 0.00 C ATOM 1949 CG ARG A 124 2.366 1.351 18.689 1.00 0.00 C ATOM 1950 CD ARG A 124 3.078 0.136 18.115 1.00 0.00 C ATOM 1951 NE ARG A 124 4.467 0.428 17.771 1.00 0.00 N ATOM 1952 CZ ARG A 124 5.271 -0.438 17.163 1.00 0.00 C ATOM 1953 NH1 ARG A 124 4.826 -1.643 16.834 1.00 0.00 N ATOM 1954 NH2 ARG A 124 6.523 -0.099 16.883 1.00 0.00 N ATOM 0 H ARG A 124 1.336 3.736 19.800 1.00 0.00 H new ATOM 0 HA ARG A 124 -0.650 1.633 20.397 1.00 0.00 H new ATOM 0 HB2 ARG A 124 0.879 -0.019 19.392 1.00 0.00 H new ATOM 0 HB3 ARG A 124 0.295 1.126 18.200 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.370 2.157 17.955 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.908 1.713 19.563 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.047 -0.678 18.839 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.549 -0.208 17.226 1.00 0.00 H new ATOM 0 HE ARG A 124 4.840 1.347 18.010 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.864 -1.907 17.048 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.445 -2.306 16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.869 0.827 17.134 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.139 -0.764 16.416 1.00 0.00 H new ATOM 1968 N VAL A 125 1.199 0.465 21.969 1.00 0.00 N ATOM 1969 CA VAL A 125 1.936 0.130 23.182 1.00 0.00 C ATOM 1970 C VAL A 125 2.758 -1.140 22.991 1.00 0.00 C ATOM 1971 O VAL A 125 2.342 -2.064 22.294 1.00 0.00 O ATOM 1972 CB VAL A 125 0.987 -0.061 24.380 1.00 0.00 C ATOM 1973 CG1 VAL A 125 0.011 -1.197 24.113 1.00 0.00 C ATOM 1974 CG2 VAL A 125 1.781 -0.318 25.652 1.00 0.00 C ATOM 0 H VAL A 125 0.699 -0.319 21.550 1.00 0.00 H new ATOM 0 HA VAL A 125 2.605 0.965 23.388 1.00 0.00 H new ATOM 0 HB VAL A 125 0.412 0.855 24.516 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.651 -1.317 24.970 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.581 -0.968 23.227 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.565 -2.122 23.950 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.095 -0.451 26.489 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.383 -1.219 25.530 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.435 0.531 25.850 1.00 0.00 H new ATOM 1984 N GLY A 126 3.931 -1.178 23.617 1.00 0.00 N ATOM 1985 CA GLY A 126 4.794 -2.339 23.505 1.00 0.00 C ATOM 1986 C GLY A 126 6.143 -2.124 24.163 1.00 0.00 C ATOM 1987 O GLY A 126 6.666 -1.011 24.175 1.00 0.00 O ATOM 0 H GLY A 126 4.298 -0.425 24.199 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.303 -3.198 23.962 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.941 -2.579 22.452 1.00 0.00 H new ATOM 1991 N GLY A 127 6.708 -3.195 24.714 1.00 0.00 N ATOM 1992 CA GLY A 127 7.998 -3.097 25.372 1.00 0.00 C ATOM 1993 C GLY A 127 8.179 -4.144 26.452 1.00 0.00 C ATOM 1994 O GLY A 127 7.284 -4.367 27.266 1.00 0.00 O ATOM 0 H GLY A 127 6.295 -4.128 24.716 1.00 0.00 H new ATOM 0 HA2 GLY A 127 8.790 -3.204 24.630 1.00 0.00 H new ATOM 0 HA3 GLY A 127 8.104 -2.105 25.811 1.00 0.00 H new ATOM 1998 N ALA A 128 9.341 -4.791 26.458 1.00 0.00 N ATOM 1999 CA ALA A 128 9.636 -5.821 27.446 1.00 0.00 C ATOM 2000 C ALA A 128 11.079 -6.300 27.324 1.00 0.00 C ATOM 2001 O ALA A 128 11.461 -6.897 26.318 1.00 0.00 O ATOM 2002 CB ALA A 128 8.675 -6.990 27.294 1.00 0.00 C ATOM 0 H ALA A 128 10.092 -4.620 25.790 1.00 0.00 H new ATOM 0 HA ALA A 128 9.507 -5.387 28.437 1.00 0.00 H new ATOM 0 HB1 ALA A 128 8.908 -7.751 28.039 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.652 -6.642 27.439 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.775 -7.416 26.296 1.00 0.00 H new ATOM 2008 N SER A 129 11.875 -6.035 28.355 1.00 0.00 N ATOM 2009 CA SER A 129 13.277 -6.436 28.361 1.00 0.00 C ATOM 2010 C SER A 129 13.753 -6.727 29.781 1.00 0.00 C ATOM 2011 O SER A 129 13.476 -5.968 30.708 1.00 0.00 O ATOM 2012 CB SER A 129 14.145 -5.342 27.735 1.00 0.00 C ATOM 2013 OG SER A 129 15.487 -5.774 27.594 1.00 0.00 O ATOM 0 H SER A 129 11.573 -5.544 29.197 1.00 0.00 H new ATOM 0 HA SER A 129 13.371 -7.347 27.771 1.00 0.00 H new ATOM 0 HB2 SER A 129 13.743 -5.069 26.759 1.00 0.00 H new ATOM 0 HB3 SER A 129 14.111 -4.447 28.356 1.00 0.00 H new ATOM 0 HG SER A 129 16.020 -5.058 27.190 1.00 0.00 H new ATOM 2019 N GLY A 130 14.471 -7.835 29.942 1.00 0.00 N ATOM 2020 CA GLY A 130 14.974 -8.209 31.251 1.00 0.00 C ATOM 2021 C GLY A 130 16.413 -8.682 31.205 1.00 0.00 C ATOM 2022 O GLY A 130 16.767 -9.590 30.453 1.00 0.00 O ATOM 0 H GLY A 130 14.713 -8.480 29.190 1.00 0.00 H new ATOM 0 HA2 GLY A 130 14.897 -7.355 31.924 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.348 -8.999 31.665 1.00 0.00 H new ATOM 2026 N PRO A 131 17.272 -8.058 32.025 1.00 0.00 N ATOM 2027 CA PRO A 131 18.695 -8.404 32.093 1.00 0.00 C ATOM 2028 C PRO A 131 18.930 -9.771 32.727 1.00 0.00 C ATOM 2029 O PRO A 131 18.005 -10.388 33.254 1.00 0.00 O ATOM 2030 CB PRO A 131 19.288 -7.298 32.970 1.00 0.00 C ATOM 2031 CG PRO A 131 18.148 -6.827 33.805 1.00 0.00 C ATOM 2032 CD PRO A 131 16.920 -6.967 32.949 1.00 0.00 C ATOM 0 HA PRO A 131 19.146 -8.469 31.103 1.00 0.00 H new ATOM 0 HB2 PRO A 131 20.102 -7.676 33.588 1.00 0.00 H new ATOM 0 HB3 PRO A 131 19.697 -6.489 32.365 1.00 0.00 H new ATOM 0 HG2 PRO A 131 18.059 -7.421 34.714 1.00 0.00 H new ATOM 0 HG3 PRO A 131 18.292 -5.792 34.114 1.00 0.00 H new ATOM 0 HD2 PRO A 131 16.041 -7.213 33.545 1.00 0.00 H new ATOM 0 HD3 PRO A 131 16.695 -6.044 32.414 1.00 0.00 H new ATOM 2040 N SER A 132 20.173 -10.237 32.673 1.00 0.00 N ATOM 2041 CA SER A 132 20.529 -11.533 33.240 1.00 0.00 C ATOM 2042 C SER A 132 22.044 -11.701 33.304 1.00 0.00 C ATOM 2043 O SER A 132 22.768 -11.246 32.418 1.00 0.00 O ATOM 2044 CB SER A 132 19.913 -12.662 32.412 1.00 0.00 C ATOM 2045 OG SER A 132 18.566 -12.892 32.784 1.00 0.00 O ATOM 0 H SER A 132 20.951 -9.737 32.243 1.00 0.00 H new ATOM 0 HA SER A 132 20.133 -11.579 34.255 1.00 0.00 H new ATOM 0 HB2 SER A 132 19.963 -12.409 31.353 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.492 -13.575 32.549 1.00 0.00 H new ATOM 0 HG SER A 132 18.237 -12.132 33.307 1.00 0.00 H new ATOM 2051 N SER A 133 22.517 -12.358 34.358 1.00 0.00 N ATOM 2052 CA SER A 133 23.946 -12.584 34.541 1.00 0.00 C ATOM 2053 C SER A 133 24.582 -13.103 33.255 1.00 0.00 C ATOM 2054 O SER A 133 24.482 -14.286 32.933 1.00 0.00 O ATOM 2055 CB SER A 133 24.185 -13.577 35.679 1.00 0.00 C ATOM 2056 OG SER A 133 25.555 -13.620 36.039 1.00 0.00 O ATOM 0 H SER A 133 21.931 -12.743 35.099 1.00 0.00 H new ATOM 0 HA SER A 133 24.410 -11.632 34.797 1.00 0.00 H new ATOM 0 HB2 SER A 133 23.587 -13.293 36.545 1.00 0.00 H new ATOM 0 HB3 SER A 133 23.854 -14.570 35.375 1.00 0.00 H new ATOM 0 HG SER A 133 25.681 -14.261 36.769 1.00 0.00 H new ATOM 2062 N GLY A 134 25.238 -12.207 32.523 1.00 0.00 N ATOM 2063 CA GLY A 134 25.882 -12.592 31.281 1.00 0.00 C ATOM 2064 C GLY A 134 27.387 -12.711 31.420 1.00 0.00 C ATOM 2065 O GLY A 134 27.976 -13.717 31.023 1.00 0.00 O ATOM 0 H GLY A 134 25.335 -11.222 32.768 1.00 0.00 H new ATOM 0 HA2 GLY A 134 25.475 -13.546 30.945 1.00 0.00 H new ATOM 0 HA3 GLY A 134 25.648 -11.857 30.511 1.00 0.00 H new TER 2069 GLY A 134