USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 815 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 90 ASN : amide:sc= 0 K(o=-0.6,f=-3.4) USER MOD Set 1.2: A 93 MET CE :methyl 141:sc= -0.599 (180deg=-1.48) USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= -0.428 USER MOD Set 2.2: A 78 MET CE :methyl 180:sc= -0.111 (180deg=-0.109) USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=0.36,f=0.36) USER MOD Set 3.2: A 109 ASN : amide:sc= 0.361 X(o=0.36,f=0) USER MOD Single : A 4 SER OG : rot 28:sc= 0.0714 USER MOD Single : A 6 MET CE :methyl 178:sc= -0.322 (180deg=-0.342) USER MOD Single : A 14 LYS NZ :NH3+ 136:sc= 0.732 (180deg=-0.204) USER MOD Single : A 21 SER OG : rot -42:sc= 0.402 USER MOD Single : A 23 SER OG : rot -125:sc= 0.198 USER MOD Single : A 28 GLN : amide:sc= -0.0589 K(o=-0.059,f=-1) USER MOD Single : A 32 SER OG : rot -87:sc= 0.727 USER MOD Single : A 34 CYS SG : rot -93:sc= -0.129 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.092) USER MOD Single : A 38 ASN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -85:sc= 0.939 USER MOD Single : A 54 SER OG : rot -37:sc= 0.449 USER MOD Single : A 63 SER OG : rot 78:sc= 0.102 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0.701 (180deg=0.663) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0.225 (180deg=-0.452) USER MOD Single : A 88 SER OG : rot 70:sc= -0.66 USER MOD Single : A 89 ASN : amide:sc= -1.16 K(o=-1.2,f=-2) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 100 THR OG1 : rot 5:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -124:sc= 0.25 USER MOD Single : A 107 THR OG1 : rot 46:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 7.766 -2.314 14.015 1.00 0.00 N ATOM 2 CA SER A 4 8.820 -1.705 13.192 1.00 0.00 C ATOM 3 C SER A 4 10.223 -2.025 13.750 1.00 0.00 C ATOM 4 O SER A 4 11.193 -2.145 12.990 1.00 0.00 O ATOM 5 CB SER A 4 8.607 -0.179 13.107 1.00 0.00 C ATOM 6 OG SER A 4 7.330 0.123 12.565 1.00 0.00 O ATOM 0 HA SER A 4 8.758 -2.130 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.699 0.261 14.100 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.385 0.267 12.487 1.00 0.00 H new ATOM 0 HG SER A 4 6.706 -0.604 12.772 1.00 0.00 H new ATOM 12 N HIS A 5 10.303 -2.175 15.087 1.00 0.00 N ATOM 13 CA HIS A 5 11.570 -2.413 15.801 1.00 0.00 C ATOM 14 C HIS A 5 12.103 -3.834 15.513 1.00 0.00 C ATOM 15 O HIS A 5 13.294 -4.005 15.237 1.00 0.00 O ATOM 16 CB HIS A 5 11.378 -2.183 17.319 1.00 0.00 C ATOM 17 CG HIS A 5 12.620 -2.399 18.152 1.00 0.00 C ATOM 18 ND1 HIS A 5 12.768 -3.446 19.038 1.00 0.00 N ATOM 19 CD2 HIS A 5 13.766 -1.682 18.233 1.00 0.00 C ATOM 20 CE1 HIS A 5 13.941 -3.355 19.628 1.00 0.00 C ATOM 21 NE2 HIS A 5 14.565 -2.298 19.157 1.00 0.00 N ATOM 0 H HIS A 5 9.490 -2.134 15.701 1.00 0.00 H new ATOM 0 HA HIS A 5 12.314 -1.703 15.440 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.024 -1.164 17.476 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.595 -2.851 17.678 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.005 -0.790 17.673 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.326 -4.035 20.374 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.496 -1.987 19.436 1.00 0.00 H new ATOM 30 N MET A 6 11.208 -4.846 15.575 1.00 0.00 N ATOM 31 CA MET A 6 11.581 -6.240 15.260 1.00 0.00 C ATOM 32 C MET A 6 11.715 -6.394 13.741 1.00 0.00 C ATOM 33 O MET A 6 10.721 -6.574 13.022 1.00 0.00 O ATOM 34 CB MET A 6 10.580 -7.271 15.844 1.00 0.00 C ATOM 35 CG MET A 6 11.035 -8.738 15.709 1.00 0.00 C ATOM 36 SD MET A 6 9.975 -9.908 16.599 1.00 0.00 S ATOM 37 CE MET A 6 8.405 -9.691 15.761 1.00 0.00 C ATOM 0 H MET A 6 10.230 -4.723 15.838 1.00 0.00 H new ATOM 0 HA MET A 6 12.539 -6.451 15.735 1.00 0.00 H new ATOM 0 HB2 MET A 6 10.419 -7.048 16.899 1.00 0.00 H new ATOM 0 HB3 MET A 6 9.619 -7.152 15.343 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.055 -9.008 14.653 1.00 0.00 H new ATOM 0 HG3 MET A 6 12.056 -8.829 16.081 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.670 -10.376 16.183 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.062 -8.665 15.891 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.528 -9.900 14.698 1.00 0.00 H new ATOM 47 N GLY A 7 12.960 -6.249 13.278 1.00 0.00 N ATOM 48 CA GLY A 7 13.313 -6.304 11.868 1.00 0.00 C ATOM 49 C GLY A 7 14.103 -5.070 11.466 1.00 0.00 C ATOM 50 O GLY A 7 15.141 -5.180 10.800 1.00 0.00 O ATOM 0 H GLY A 7 13.761 -6.087 13.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.902 -7.200 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.409 -6.376 11.264 1.00 0.00 H new ATOM 54 N GLY A 8 13.605 -3.891 11.896 1.00 0.00 N ATOM 55 CA GLY A 8 14.239 -2.598 11.604 1.00 0.00 C ATOM 56 C GLY A 8 14.002 -2.149 10.169 1.00 0.00 C ATOM 57 O GLY A 8 13.268 -1.181 9.913 1.00 0.00 O ATOM 0 H GLY A 8 12.754 -3.814 12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.851 -1.843 12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.311 -2.672 11.787 1.00 0.00 H new ATOM 61 N GLU A 9 14.632 -2.878 9.234 1.00 0.00 N ATOM 62 CA GLU A 9 14.424 -2.724 7.785 1.00 0.00 C ATOM 63 C GLU A 9 12.993 -3.129 7.415 1.00 0.00 C ATOM 64 O GLU A 9 12.403 -4.006 8.059 1.00 0.00 O ATOM 65 CB GLU A 9 15.433 -3.611 7.011 1.00 0.00 C ATOM 66 CG GLU A 9 16.902 -3.400 7.414 1.00 0.00 C ATOM 67 CD GLU A 9 17.848 -4.376 6.704 1.00 0.00 C ATOM 68 OE1 GLU A 9 17.961 -5.537 7.153 1.00 0.00 O ATOM 69 OE2 GLU A 9 18.477 -3.991 5.691 1.00 0.00 O ATOM 0 H GLU A 9 15.311 -3.603 9.467 1.00 0.00 H new ATOM 0 HA GLU A 9 14.581 -1.680 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.173 -4.658 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.329 -3.413 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.197 -2.377 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.001 -3.522 8.493 1.00 0.00 H new ATOM 76 N GLY A 10 12.460 -2.507 6.366 1.00 0.00 N ATOM 77 CA GLY A 10 11.101 -2.762 5.930 1.00 0.00 C ATOM 78 C GLY A 10 10.901 -2.360 4.489 1.00 0.00 C ATOM 79 O GLY A 10 10.558 -1.203 4.210 1.00 0.00 O ATOM 0 H GLY A 10 12.958 -1.818 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.872 -3.821 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.405 -2.212 6.563 1.00 0.00 H new ATOM 83 N PHE A 11 11.144 -3.304 3.550 1.00 0.00 N ATOM 84 CA PHE A 11 10.911 -3.074 2.105 1.00 0.00 C ATOM 85 C PHE A 11 9.447 -3.354 1.716 1.00 0.00 C ATOM 86 O PHE A 11 9.149 -4.057 0.755 1.00 0.00 O ATOM 87 CB PHE A 11 11.948 -3.819 1.201 1.00 0.00 C ATOM 88 CG PHE A 11 12.234 -5.275 1.569 1.00 0.00 C ATOM 89 CD1 PHE A 11 11.459 -6.322 1.070 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.294 -5.592 2.415 1.00 0.00 C ATOM 91 CE1 PHE A 11 11.736 -7.634 1.402 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.570 -6.901 2.744 1.00 0.00 C ATOM 93 CZ PHE A 11 12.792 -7.925 2.244 1.00 0.00 C ATOM 0 H PHE A 11 11.502 -4.234 3.768 1.00 0.00 H new ATOM 0 HA PHE A 11 11.081 -2.014 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.591 -3.789 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.887 -3.267 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.629 -6.103 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.908 -4.801 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.127 -8.432 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.400 -7.127 3.397 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.008 -8.949 2.510 1.00 0.00 H new ATOM 103 N VAL A 12 8.550 -2.789 2.527 1.00 0.00 N ATOM 104 CA VAL A 12 7.108 -2.675 2.286 1.00 0.00 C ATOM 105 C VAL A 12 6.737 -1.226 2.672 1.00 0.00 C ATOM 106 O VAL A 12 7.358 -0.647 3.566 1.00 0.00 O ATOM 107 CB VAL A 12 6.278 -3.703 3.169 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.748 -3.569 2.930 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.753 -5.161 2.936 1.00 0.00 C ATOM 0 H VAL A 12 8.824 -2.376 3.418 1.00 0.00 H new ATOM 0 HA VAL A 12 6.871 -2.904 1.247 1.00 0.00 H new ATOM 0 HB VAL A 12 6.467 -3.452 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.218 -4.290 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.426 -2.560 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.525 -3.763 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.165 -5.839 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.622 -5.423 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.806 -5.248 3.203 1.00 0.00 H new ATOM 119 N VAL A 13 5.815 -0.597 1.950 1.00 0.00 N ATOM 120 CA VAL A 13 5.206 0.682 2.373 1.00 0.00 C ATOM 121 C VAL A 13 3.703 0.504 2.619 1.00 0.00 C ATOM 122 O VAL A 13 3.131 -0.554 2.327 1.00 0.00 O ATOM 123 CB VAL A 13 5.464 1.818 1.309 1.00 0.00 C ATOM 124 CG1 VAL A 13 6.971 2.159 1.209 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.875 1.445 -0.074 1.00 0.00 C ATOM 0 H VAL A 13 5.463 -0.948 1.059 1.00 0.00 H new ATOM 0 HA VAL A 13 5.678 0.987 3.307 1.00 0.00 H new ATOM 0 HB VAL A 13 4.945 2.713 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.118 2.945 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.331 2.503 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.526 1.270 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.071 2.250 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.340 0.526 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.799 1.296 0.017 1.00 0.00 H new ATOM 135 N LYS A 14 3.072 1.563 3.145 1.00 0.00 N ATOM 136 CA LYS A 14 1.616 1.617 3.343 1.00 0.00 C ATOM 137 C LYS A 14 1.122 2.891 2.671 1.00 0.00 C ATOM 138 O LYS A 14 1.792 3.924 2.726 1.00 0.00 O ATOM 139 CB LYS A 14 1.191 1.576 4.839 1.00 0.00 C ATOM 140 CG LYS A 14 1.421 2.875 5.645 1.00 0.00 C ATOM 141 CD LYS A 14 0.985 2.756 7.122 1.00 0.00 C ATOM 142 CE LYS A 14 1.810 1.721 7.906 1.00 0.00 C ATOM 143 NZ LYS A 14 1.357 1.581 9.302 1.00 0.00 N ATOM 0 H LYS A 14 3.557 2.408 3.446 1.00 0.00 H new ATOM 0 HA LYS A 14 1.165 0.729 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.132 1.324 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.734 0.767 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.478 3.139 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.871 3.690 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.080 3.729 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.069 2.481 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.744 0.754 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.860 2.014 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.315 0.573 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.024 2.069 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.412 2.003 9.404 1.00 0.00 H new ATOM 157 N VAL A 15 -0.028 2.808 2.005 1.00 0.00 N ATOM 158 CA VAL A 15 -0.541 3.892 1.167 1.00 0.00 C ATOM 159 C VAL A 15 -1.953 4.248 1.636 1.00 0.00 C ATOM 160 O VAL A 15 -2.788 3.365 1.795 1.00 0.00 O ATOM 161 CB VAL A 15 -0.557 3.475 -0.351 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.700 4.703 -1.278 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.686 2.635 -0.715 1.00 0.00 C ATOM 0 H VAL A 15 -0.632 1.986 2.031 1.00 0.00 H new ATOM 0 HA VAL A 15 0.112 4.759 1.262 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.435 2.849 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.707 4.375 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.633 5.221 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.139 5.380 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.645 2.363 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.587 3.218 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.704 1.730 -0.107 1.00 0.00 H new ATOM 173 N ARG A 16 -2.204 5.547 1.846 1.00 0.00 N ATOM 174 CA ARG A 16 -3.477 6.057 2.392 1.00 0.00 C ATOM 175 C ARG A 16 -3.973 7.195 1.507 1.00 0.00 C ATOM 176 O ARG A 16 -3.185 7.825 0.820 1.00 0.00 O ATOM 177 CB ARG A 16 -3.325 6.520 3.872 1.00 0.00 C ATOM 178 CG ARG A 16 -2.739 5.439 4.828 1.00 0.00 C ATOM 179 CD ARG A 16 -2.949 5.747 6.327 1.00 0.00 C ATOM 180 NE ARG A 16 -2.405 7.057 6.739 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.036 7.381 7.985 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.069 6.489 8.960 1.00 0.00 N ATOM 183 NH2 ARG A 16 -1.630 8.611 8.251 1.00 0.00 N ATOM 0 H ARG A 16 -1.527 6.282 1.642 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.210 5.250 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.682 7.400 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.302 6.827 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.198 4.477 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.671 5.338 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.016 5.718 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.478 4.963 6.921 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.302 7.771 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.379 5.536 8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.784 6.754 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.599 9.310 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.348 8.861 9.199 1.00 0.00 H new ATOM 197 N GLY A 17 -5.283 7.455 1.527 1.00 0.00 N ATOM 198 CA GLY A 17 -5.905 8.436 0.624 1.00 0.00 C ATOM 199 C GLY A 17 -6.620 7.740 -0.522 1.00 0.00 C ATOM 200 O GLY A 17 -7.612 8.264 -1.046 1.00 0.00 O ATOM 0 H GLY A 17 -5.939 6.999 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.613 9.051 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.142 9.107 0.228 1.00 0.00 H new ATOM 204 N LEU A 18 -6.031 6.592 -0.949 1.00 0.00 N ATOM 205 CA LEU A 18 -6.675 5.589 -1.836 1.00 0.00 C ATOM 206 C LEU A 18 -8.195 5.453 -1.575 1.00 0.00 C ATOM 207 O LEU A 18 -8.597 5.007 -0.485 1.00 0.00 O ATOM 208 CB LEU A 18 -6.022 4.192 -1.626 1.00 0.00 C ATOM 209 CG LEU A 18 -4.470 4.112 -1.737 1.00 0.00 C ATOM 210 CD1 LEU A 18 -3.982 2.662 -1.538 1.00 0.00 C ATOM 211 CD2 LEU A 18 -3.965 4.703 -3.071 1.00 0.00 C ATOM 0 H LEU A 18 -5.081 6.334 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.529 5.941 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.310 3.828 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.450 3.505 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.046 4.720 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.896 2.629 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.283 2.309 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.423 2.022 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.878 4.630 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.398 4.147 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.261 5.750 -3.141 1.00 0.00 H new ATOM 223 N PRO A 19 -9.054 5.879 -2.561 1.00 0.00 N ATOM 224 CA PRO A 19 -10.523 5.823 -2.418 1.00 0.00 C ATOM 225 C PRO A 19 -11.065 4.386 -2.261 1.00 0.00 C ATOM 226 O PRO A 19 -10.373 3.400 -2.546 1.00 0.00 O ATOM 227 CB PRO A 19 -11.043 6.496 -3.718 1.00 0.00 C ATOM 228 CG PRO A 19 -9.914 6.371 -4.696 1.00 0.00 C ATOM 229 CD PRO A 19 -8.653 6.470 -3.875 1.00 0.00 C ATOM 0 HA PRO A 19 -10.860 6.324 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.942 6.001 -4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.302 7.541 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.961 5.422 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.956 7.161 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.831 5.918 -4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.322 7.503 -3.768 1.00 0.00 H new ATOM 237 N TRP A 20 -12.318 4.313 -1.799 1.00 0.00 N ATOM 238 CA TRP A 20 -13.059 3.059 -1.602 1.00 0.00 C ATOM 239 C TRP A 20 -13.156 2.233 -2.912 1.00 0.00 C ATOM 240 O TRP A 20 -13.109 1.000 -2.886 1.00 0.00 O ATOM 241 CB TRP A 20 -14.474 3.392 -1.045 1.00 0.00 C ATOM 242 CG TRP A 20 -15.303 4.291 -1.949 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.228 5.655 -2.050 1.00 0.00 C ATOM 244 CD2 TRP A 20 -16.323 3.882 -2.873 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.120 6.108 -2.979 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.802 5.046 -3.504 1.00 0.00 C ATOM 247 CE3 TRP A 20 -16.868 2.644 -3.237 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -17.798 5.012 -4.471 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -17.857 2.614 -4.200 1.00 0.00 C ATOM 250 CH2 TRP A 20 -18.313 3.790 -4.807 1.00 0.00 C ATOM 0 H TRP A 20 -12.858 5.141 -1.546 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.519 2.441 -0.885 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -15.016 2.461 -0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.366 3.873 -0.073 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -14.560 6.281 -1.478 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -16.256 7.085 -3.240 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -16.522 1.732 -2.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -18.153 5.917 -4.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -18.286 1.666 -4.490 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -19.088 3.731 -5.557 1.00 0.00 H new ATOM 261 N SER A 21 -13.266 2.944 -4.053 1.00 0.00 N ATOM 262 CA SER A 21 -13.476 2.332 -5.380 1.00 0.00 C ATOM 263 C SER A 21 -12.143 2.139 -6.142 1.00 0.00 C ATOM 264 O SER A 21 -12.157 1.858 -7.351 1.00 0.00 O ATOM 265 CB SER A 21 -14.459 3.225 -6.185 1.00 0.00 C ATOM 266 OG SER A 21 -14.888 2.620 -7.399 1.00 0.00 O ATOM 0 H SER A 21 -13.211 3.962 -4.079 1.00 0.00 H new ATOM 0 HA SER A 21 -13.902 1.337 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.330 3.446 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.977 4.177 -6.409 1.00 0.00 H new ATOM 0 HG SER A 21 -14.124 2.194 -7.840 1.00 0.00 H new ATOM 272 N CYS A 22 -10.994 2.267 -5.442 1.00 0.00 N ATOM 273 CA CYS A 22 -9.658 2.095 -6.048 1.00 0.00 C ATOM 274 C CYS A 22 -9.370 0.606 -6.356 1.00 0.00 C ATOM 275 O CYS A 22 -10.084 -0.293 -5.894 1.00 0.00 O ATOM 276 CB CYS A 22 -8.585 2.664 -5.084 1.00 0.00 C ATOM 277 SG CYS A 22 -6.879 2.608 -5.697 1.00 0.00 S ATOM 0 H CYS A 22 -10.968 2.491 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.628 2.638 -6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.838 3.700 -4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.634 2.111 -4.146 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.080 3.112 -4.804 1.00 0.00 H new ATOM 283 N SER A 23 -8.294 0.374 -7.115 1.00 0.00 N ATOM 284 CA SER A 23 -7.868 -0.967 -7.550 1.00 0.00 C ATOM 285 C SER A 23 -6.348 -1.095 -7.421 1.00 0.00 C ATOM 286 O SER A 23 -5.624 -0.087 -7.422 1.00 0.00 O ATOM 287 CB SER A 23 -8.313 -1.214 -9.009 1.00 0.00 C ATOM 288 OG SER A 23 -7.964 -2.518 -9.456 1.00 0.00 O ATOM 0 H SER A 23 -7.684 1.120 -7.451 1.00 0.00 H new ATOM 0 HA SER A 23 -8.336 -1.718 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.392 -1.080 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.852 -0.471 -9.660 1.00 0.00 H new ATOM 0 HG SER A 23 -7.437 -2.451 -10.279 1.00 0.00 H new ATOM 294 N ALA A 24 -5.876 -2.350 -7.303 1.00 0.00 N ATOM 295 CA ALA A 24 -4.436 -2.678 -7.246 1.00 0.00 C ATOM 296 C ALA A 24 -3.686 -2.105 -8.463 1.00 0.00 C ATOM 297 O ALA A 24 -2.565 -1.615 -8.331 1.00 0.00 O ATOM 298 CB ALA A 24 -4.248 -4.201 -7.152 1.00 0.00 C ATOM 0 H ALA A 24 -6.482 -3.168 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.012 -2.217 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.184 -4.434 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.737 -4.573 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.690 -4.677 -8.027 1.00 0.00 H new ATOM 304 N ASP A 25 -4.339 -2.179 -9.643 1.00 0.00 N ATOM 305 CA ASP A 25 -3.855 -1.572 -10.906 1.00 0.00 C ATOM 306 C ASP A 25 -3.474 -0.093 -10.746 1.00 0.00 C ATOM 307 O ASP A 25 -2.408 0.335 -11.198 1.00 0.00 O ATOM 308 CB ASP A 25 -4.943 -1.663 -12.004 1.00 0.00 C ATOM 309 CG ASP A 25 -5.354 -3.099 -12.325 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.690 -3.745 -13.162 1.00 0.00 O ATOM 311 OD2 ASP A 25 -6.345 -3.592 -11.746 1.00 0.00 O ATOM 0 H ASP A 25 -5.228 -2.668 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.965 -2.136 -11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.822 -1.103 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.575 -1.185 -12.912 1.00 0.00 H new ATOM 316 N GLU A 26 -4.375 0.664 -10.110 1.00 0.00 N ATOM 317 CA GLU A 26 -4.260 2.125 -9.971 1.00 0.00 C ATOM 318 C GLU A 26 -3.093 2.520 -9.058 1.00 0.00 C ATOM 319 O GLU A 26 -2.360 3.473 -9.346 1.00 0.00 O ATOM 320 CB GLU A 26 -5.601 2.699 -9.442 1.00 0.00 C ATOM 321 CG GLU A 26 -6.825 2.337 -10.311 1.00 0.00 C ATOM 322 CD GLU A 26 -6.634 2.703 -11.794 1.00 0.00 C ATOM 323 OE1 GLU A 26 -6.569 3.915 -12.114 1.00 0.00 O ATOM 324 OE2 GLU A 26 -6.546 1.787 -12.644 1.00 0.00 O ATOM 0 H GLU A 26 -5.212 0.279 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.049 2.550 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.767 2.333 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.521 3.784 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.020 1.268 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.704 2.853 -9.925 1.00 0.00 H new ATOM 331 N VAL A 27 -2.935 1.769 -7.960 1.00 0.00 N ATOM 332 CA VAL A 27 -1.865 1.991 -6.967 1.00 0.00 C ATOM 333 C VAL A 27 -0.494 1.564 -7.550 1.00 0.00 C ATOM 334 O VAL A 27 0.528 2.218 -7.322 1.00 0.00 O ATOM 335 CB VAL A 27 -2.174 1.214 -5.633 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.146 1.544 -4.523 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.617 1.499 -5.152 1.00 0.00 C ATOM 0 H VAL A 27 -3.547 0.986 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.823 3.055 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.088 0.149 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.395 0.988 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.147 1.265 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.171 2.613 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.808 0.952 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.736 2.567 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.325 1.179 -5.916 1.00 0.00 H new ATOM 347 N GLN A 28 -0.509 0.487 -8.350 1.00 0.00 N ATOM 348 CA GLN A 28 0.693 -0.055 -9.020 1.00 0.00 C ATOM 349 C GLN A 28 1.222 0.958 -10.054 1.00 0.00 C ATOM 350 O GLN A 28 2.432 1.205 -10.148 1.00 0.00 O ATOM 351 CB GLN A 28 0.336 -1.437 -9.661 1.00 0.00 C ATOM 352 CG GLN A 28 1.520 -2.289 -10.190 1.00 0.00 C ATOM 353 CD GLN A 28 1.990 -1.925 -11.595 1.00 0.00 C ATOM 354 OE1 GLN A 28 1.208 -1.463 -12.428 1.00 0.00 O ATOM 355 NE2 GLN A 28 3.264 -2.128 -11.868 1.00 0.00 N ATOM 0 H GLN A 28 -1.359 -0.039 -8.554 1.00 0.00 H new ATOM 0 HA GLN A 28 1.494 -0.216 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.202 -2.027 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.352 -1.261 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.360 -2.186 -9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.227 -3.339 -10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.884 -2.512 -11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.630 -1.901 -12.793 1.00 0.00 H new ATOM 364 N ARG A 29 0.280 1.542 -10.814 1.00 0.00 N ATOM 365 CA ARG A 29 0.544 2.645 -11.750 1.00 0.00 C ATOM 366 C ARG A 29 1.080 3.881 -11.004 1.00 0.00 C ATOM 367 O ARG A 29 2.031 4.518 -11.457 1.00 0.00 O ATOM 368 CB ARG A 29 -0.758 2.981 -12.535 1.00 0.00 C ATOM 369 CG ARG A 29 -0.686 4.214 -13.475 1.00 0.00 C ATOM 370 CD ARG A 29 0.441 4.112 -14.524 1.00 0.00 C ATOM 371 NE ARG A 29 0.365 2.874 -15.328 1.00 0.00 N ATOM 372 CZ ARG A 29 0.455 2.802 -16.667 1.00 0.00 C ATOM 373 NH1 ARG A 29 0.549 3.903 -17.406 1.00 0.00 N ATOM 374 NH2 ARG A 29 0.451 1.619 -17.259 1.00 0.00 N ATOM 0 H ARG A 29 -0.699 1.256 -10.794 1.00 0.00 H new ATOM 0 HA ARG A 29 1.312 2.336 -12.459 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.035 2.111 -13.130 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.561 3.144 -11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.641 4.329 -13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.536 5.112 -12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.392 4.975 -15.188 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.406 4.153 -14.019 1.00 0.00 H new ATOM 0 HE ARG A 29 0.233 1.998 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.554 4.819 -16.958 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.617 3.832 -18.421 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.380 0.769 -16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.519 1.557 -18.275 1.00 0.00 H new ATOM 388 N PHE A 30 0.480 4.186 -9.845 1.00 0.00 N ATOM 389 CA PHE A 30 0.855 5.343 -9.006 1.00 0.00 C ATOM 390 C PHE A 30 2.325 5.243 -8.517 1.00 0.00 C ATOM 391 O PHE A 30 2.990 6.263 -8.310 1.00 0.00 O ATOM 392 CB PHE A 30 -0.140 5.416 -7.812 1.00 0.00 C ATOM 393 CG PHE A 30 -0.020 6.638 -6.906 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.337 7.908 -7.383 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.387 6.516 -5.577 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.239 9.018 -6.568 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.481 7.627 -4.764 1.00 0.00 C ATOM 398 CZ PHE A 30 0.168 8.876 -5.260 1.00 0.00 C ATOM 0 H PHE A 30 -0.286 3.635 -9.457 1.00 0.00 H new ATOM 0 HA PHE A 30 0.794 6.258 -9.594 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.154 5.383 -8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.008 4.523 -7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.664 8.026 -8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.631 5.542 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.481 9.996 -6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.800 7.519 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.242 9.744 -4.621 1.00 0.00 H new ATOM 408 N PHE A 31 2.822 4.000 -8.358 1.00 0.00 N ATOM 409 CA PHE A 31 4.222 3.722 -7.963 1.00 0.00 C ATOM 410 C PHE A 31 5.062 3.206 -9.151 1.00 0.00 C ATOM 411 O PHE A 31 5.949 2.362 -8.966 1.00 0.00 O ATOM 412 CB PHE A 31 4.244 2.704 -6.783 1.00 0.00 C ATOM 413 CG PHE A 31 3.659 3.264 -5.487 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.362 4.214 -4.751 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.406 2.880 -5.028 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.833 4.748 -3.596 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.882 3.423 -3.875 1.00 0.00 C ATOM 418 CZ PHE A 31 2.596 4.358 -3.163 1.00 0.00 C ATOM 0 H PHE A 31 2.265 3.158 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 31 4.675 4.658 -7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.685 1.814 -7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.272 2.390 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.335 4.537 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.836 2.148 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.397 5.476 -3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.907 3.113 -3.529 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.180 4.784 -2.262 1.00 0.00 H new ATOM 428 N SER A 32 4.827 3.749 -10.362 1.00 0.00 N ATOM 429 CA SER A 32 5.616 3.384 -11.554 1.00 0.00 C ATOM 430 C SER A 32 6.996 4.098 -11.504 1.00 0.00 C ATOM 431 O SER A 32 7.203 5.143 -12.124 1.00 0.00 O ATOM 432 CB SER A 32 4.837 3.719 -12.847 1.00 0.00 C ATOM 433 OG SER A 32 4.427 5.081 -12.881 1.00 0.00 O ATOM 0 H SER A 32 4.099 4.440 -10.540 1.00 0.00 H new ATOM 0 HA SER A 32 5.792 2.308 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.463 3.507 -13.714 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.961 3.074 -12.921 1.00 0.00 H new ATOM 0 HG SER A 32 3.564 5.174 -12.426 1.00 0.00 H new ATOM 439 N ASP A 33 7.939 3.443 -10.809 1.00 0.00 N ATOM 440 CA ASP A 33 9.205 4.015 -10.265 1.00 0.00 C ATOM 441 C ASP A 33 9.783 2.953 -9.332 1.00 0.00 C ATOM 442 O ASP A 33 10.950 2.564 -9.423 1.00 0.00 O ATOM 443 CB ASP A 33 9.025 5.356 -9.450 1.00 0.00 C ATOM 444 CG ASP A 33 9.091 6.633 -10.305 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.137 6.868 -10.942 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.104 7.403 -10.353 1.00 0.00 O ATOM 0 H ASP A 33 7.846 2.450 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 33 9.850 4.269 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.065 5.328 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.797 5.407 -8.683 1.00 0.00 H new ATOM 451 N CYS A 34 8.902 2.514 -8.426 1.00 0.00 N ATOM 452 CA CYS A 34 9.158 1.435 -7.474 1.00 0.00 C ATOM 453 C CYS A 34 9.015 0.069 -8.175 1.00 0.00 C ATOM 454 O CYS A 34 8.525 -0.015 -9.307 1.00 0.00 O ATOM 455 CB CYS A 34 8.155 1.566 -6.303 1.00 0.00 C ATOM 456 SG CYS A 34 8.055 3.237 -5.619 1.00 0.00 S ATOM 0 H CYS A 34 7.967 2.912 -8.335 1.00 0.00 H new ATOM 0 HA CYS A 34 10.174 1.505 -7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.166 1.264 -6.647 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.442 0.875 -5.511 1.00 0.00 H new ATOM 0 HG CYS A 34 8.878 3.347 -4.619 1.00 0.00 H new ATOM 462 N LYS A 35 9.426 -0.998 -7.489 1.00 0.00 N ATOM 463 CA LYS A 35 9.366 -2.370 -8.014 1.00 0.00 C ATOM 464 C LYS A 35 8.649 -3.232 -6.986 1.00 0.00 C ATOM 465 O LYS A 35 9.243 -3.698 -6.010 1.00 0.00 O ATOM 466 CB LYS A 35 10.795 -2.912 -8.384 1.00 0.00 C ATOM 467 CG LYS A 35 11.178 -2.724 -9.886 1.00 0.00 C ATOM 468 CD LYS A 35 12.592 -2.145 -10.124 1.00 0.00 C ATOM 469 CE LYS A 35 12.713 -0.688 -9.654 1.00 0.00 C ATOM 470 NZ LYS A 35 13.989 -0.071 -10.074 1.00 0.00 N ATOM 0 H LYS A 35 9.813 -0.938 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 35 8.806 -2.396 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.536 -2.406 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.845 -3.973 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.106 -3.688 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.447 -2.065 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.325 -2.756 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.832 -2.203 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.882 -0.108 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.633 -0.650 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.028 0.912 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.783 -0.608 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.055 -0.082 -11.112 1.00 0.00 H new ATOM 484 N ILE A 36 7.340 -3.364 -7.205 1.00 0.00 N ATOM 485 CA ILE A 36 6.435 -4.072 -6.312 1.00 0.00 C ATOM 486 C ILE A 36 6.650 -5.582 -6.514 1.00 0.00 C ATOM 487 O ILE A 36 6.690 -6.045 -7.664 1.00 0.00 O ATOM 488 CB ILE A 36 4.939 -3.641 -6.566 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.832 -2.083 -6.699 1.00 0.00 C ATOM 490 CG2 ILE A 36 4.010 -4.151 -5.436 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.433 -1.540 -6.956 1.00 0.00 C ATOM 0 H ILE A 36 6.875 -2.973 -8.024 1.00 0.00 H new ATOM 0 HA ILE A 36 6.649 -3.818 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 36 4.613 -4.096 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.216 -1.631 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.483 -1.760 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.986 -3.839 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.055 -5.239 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.335 -3.735 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.473 -0.453 -7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.047 -1.954 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.776 -1.823 -6.134 1.00 0.00 H new ATOM 503 N GLN A 37 6.754 -6.316 -5.388 1.00 0.00 N ATOM 504 CA GLN A 37 7.379 -7.655 -5.297 1.00 0.00 C ATOM 505 C GLN A 37 6.899 -8.613 -6.402 1.00 0.00 C ATOM 506 O GLN A 37 7.715 -9.142 -7.162 1.00 0.00 O ATOM 507 CB GLN A 37 7.129 -8.253 -3.887 1.00 0.00 C ATOM 508 CG GLN A 37 7.947 -9.518 -3.553 1.00 0.00 C ATOM 509 CD GLN A 37 9.462 -9.277 -3.602 1.00 0.00 C ATOM 510 OE1 GLN A 37 10.116 -9.500 -4.622 1.00 0.00 O ATOM 511 NE2 GLN A 37 10.030 -8.788 -2.507 1.00 0.00 N ATOM 0 H GLN A 37 6.396 -5.987 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 37 8.451 -7.531 -5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.351 -7.489 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.069 -8.490 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.672 -9.871 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.687 -10.309 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.466 -8.612 -1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.030 -8.588 -2.497 1.00 0.00 H new ATOM 520 N ASN A 38 5.574 -8.814 -6.498 1.00 0.00 N ATOM 521 CA ASN A 38 4.949 -9.527 -7.634 1.00 0.00 C ATOM 522 C ASN A 38 3.863 -8.641 -8.257 1.00 0.00 C ATOM 523 O ASN A 38 2.662 -8.934 -8.169 1.00 0.00 O ATOM 524 CB ASN A 38 4.391 -10.909 -7.174 1.00 0.00 C ATOM 525 CG ASN A 38 5.507 -11.878 -6.772 1.00 0.00 C ATOM 526 OD1 ASN A 38 6.011 -12.645 -7.591 1.00 0.00 O ATOM 527 ND2 ASN A 38 5.920 -11.826 -5.511 1.00 0.00 N ATOM 0 H ASN A 38 4.907 -8.491 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 38 5.699 -9.729 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.716 -10.764 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.803 -11.348 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.677 -12.434 -5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.481 -11.178 -4.857 1.00 0.00 H new ATOM 534 N GLY A 39 4.322 -7.509 -8.832 1.00 0.00 N ATOM 535 CA GLY A 39 3.452 -6.549 -9.527 1.00 0.00 C ATOM 536 C GLY A 39 2.331 -6.005 -8.650 1.00 0.00 C ATOM 537 O GLY A 39 2.517 -5.836 -7.444 1.00 0.00 O ATOM 0 H GLY A 39 5.306 -7.239 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.057 -5.717 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.017 -7.031 -10.402 1.00 0.00 H new ATOM 541 N ALA A 40 1.148 -5.796 -9.245 1.00 0.00 N ATOM 542 CA ALA A 40 -0.051 -5.292 -8.541 1.00 0.00 C ATOM 543 C ALA A 40 -0.576 -6.274 -7.463 1.00 0.00 C ATOM 544 O ALA A 40 -1.367 -5.880 -6.596 1.00 0.00 O ATOM 545 CB ALA A 40 -1.139 -4.953 -9.577 1.00 0.00 C ATOM 0 H ALA A 40 0.990 -5.972 -10.237 1.00 0.00 H new ATOM 0 HA ALA A 40 0.230 -4.389 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.026 -4.581 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.766 -4.189 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.396 -5.849 -10.142 1.00 0.00 H new ATOM 551 N GLN A 41 -0.108 -7.542 -7.501 1.00 0.00 N ATOM 552 CA GLN A 41 -0.473 -8.571 -6.493 1.00 0.00 C ATOM 553 C GLN A 41 0.284 -8.344 -5.168 1.00 0.00 C ATOM 554 O GLN A 41 -0.142 -8.817 -4.106 1.00 0.00 O ATOM 555 CB GLN A 41 -0.186 -9.990 -7.049 1.00 0.00 C ATOM 556 CG GLN A 41 -0.944 -10.343 -8.345 1.00 0.00 C ATOM 557 CD GLN A 41 -2.465 -10.320 -8.177 1.00 0.00 C ATOM 558 OE1 GLN A 41 -3.080 -11.329 -7.829 1.00 0.00 O ATOM 559 NE2 GLN A 41 -3.086 -9.176 -8.438 1.00 0.00 N ATOM 0 H GLN A 41 0.528 -7.882 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.540 -8.484 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.884 -10.083 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.442 -10.723 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.660 -9.639 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.637 -11.334 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.549 -8.358 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.101 -9.115 -8.352 1.00 0.00 H new ATOM 568 N GLY A 42 1.393 -7.579 -5.252 1.00 0.00 N ATOM 569 CA GLY A 42 2.197 -7.200 -4.082 1.00 0.00 C ATOM 570 C GLY A 42 1.509 -6.148 -3.203 1.00 0.00 C ATOM 571 O GLY A 42 2.013 -5.799 -2.129 1.00 0.00 O ATOM 0 H GLY A 42 1.751 -7.210 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.402 -8.088 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.159 -6.813 -4.418 1.00 0.00 H new ATOM 575 N ILE A 43 0.374 -5.604 -3.692 1.00 0.00 N ATOM 576 CA ILE A 43 -0.444 -4.606 -2.974 1.00 0.00 C ATOM 577 C ILE A 43 -1.568 -5.310 -2.170 1.00 0.00 C ATOM 578 O ILE A 43 -2.246 -6.200 -2.686 1.00 0.00 O ATOM 579 CB ILE A 43 -1.049 -3.579 -3.998 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.091 -3.009 -4.903 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.826 -2.444 -3.277 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.363 -2.065 -5.991 1.00 0.00 C ATOM 0 H ILE A 43 -0.003 -5.849 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 43 0.188 -4.065 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.770 -4.098 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.810 -2.489 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.618 -3.844 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.230 -1.753 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.643 -2.874 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.151 -1.908 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.501 -1.726 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.057 -2.581 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.862 -1.206 -5.542 1.00 0.00 H new ATOM 594 N ARG A 44 -1.734 -4.883 -0.903 1.00 0.00 N ATOM 595 CA ARG A 44 -2.666 -5.512 0.065 1.00 0.00 C ATOM 596 C ARG A 44 -3.591 -4.469 0.721 1.00 0.00 C ATOM 597 O ARG A 44 -3.218 -3.845 1.717 1.00 0.00 O ATOM 598 CB ARG A 44 -1.860 -6.264 1.167 1.00 0.00 C ATOM 599 CG ARG A 44 -0.967 -7.443 0.698 1.00 0.00 C ATOM 600 CD ARG A 44 -1.760 -8.697 0.263 1.00 0.00 C ATOM 601 NE ARG A 44 -2.406 -8.548 -1.066 1.00 0.00 N ATOM 602 CZ ARG A 44 -3.677 -8.884 -1.370 1.00 0.00 C ATOM 603 NH1 ARG A 44 -4.535 -9.254 -0.421 1.00 0.00 N ATOM 604 NH2 ARG A 44 -4.095 -8.800 -2.624 1.00 0.00 N ATOM 0 H ARG A 44 -1.225 -4.088 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.289 -6.219 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.226 -5.540 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.567 -6.645 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.350 -7.109 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.289 -7.716 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.087 -9.554 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.524 -8.913 1.009 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.837 -8.156 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.235 -9.287 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.492 -9.505 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.457 -8.483 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.055 -9.053 -2.860 1.00 0.00 H new ATOM 618 N PHE A 45 -4.812 -4.306 0.179 1.00 0.00 N ATOM 619 CA PHE A 45 -5.829 -3.387 0.747 1.00 0.00 C ATOM 620 C PHE A 45 -6.417 -3.996 2.032 1.00 0.00 C ATOM 621 O PHE A 45 -7.012 -5.077 1.977 1.00 0.00 O ATOM 622 CB PHE A 45 -6.974 -3.112 -0.274 1.00 0.00 C ATOM 623 CG PHE A 45 -6.557 -2.328 -1.515 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.967 -2.971 -2.599 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.767 -0.950 -1.600 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.601 -2.268 -3.725 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.398 -0.248 -2.729 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.815 -0.909 -3.792 1.00 0.00 C ATOM 0 H PHE A 45 -5.124 -4.800 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.342 -2.439 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.395 -4.066 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.769 -2.565 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.794 -4.036 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.224 -0.428 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.145 -2.783 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.565 0.818 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.527 -0.360 -4.676 1.00 0.00 H new ATOM 638 N ILE A 46 -6.223 -3.316 3.180 1.00 0.00 N ATOM 639 CA ILE A 46 -6.774 -3.770 4.472 1.00 0.00 C ATOM 640 C ILE A 46 -8.309 -3.659 4.413 1.00 0.00 C ATOM 641 O ILE A 46 -8.859 -2.558 4.521 1.00 0.00 O ATOM 642 CB ILE A 46 -6.224 -2.950 5.719 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.671 -3.095 5.895 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.954 -3.385 7.028 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.812 -2.434 4.827 1.00 0.00 C ATOM 0 H ILE A 46 -5.688 -2.449 3.238 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.454 -4.801 4.621 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.433 -1.899 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.395 -2.678 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.427 -4.157 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.564 -2.813 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.023 -3.199 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.786 -4.448 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.759 -2.600 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.047 -2.865 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.015 -1.363 4.808 1.00 0.00 H new ATOM 657 N TYR A 47 -8.979 -4.795 4.157 1.00 0.00 N ATOM 658 CA TYR A 47 -10.446 -4.865 4.151 1.00 0.00 C ATOM 659 C TYR A 47 -10.931 -4.957 5.606 1.00 0.00 C ATOM 660 O TYR A 47 -10.367 -5.716 6.398 1.00 0.00 O ATOM 661 CB TYR A 47 -10.926 -6.087 3.322 1.00 0.00 C ATOM 662 CG TYR A 47 -10.369 -6.127 1.887 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.709 -5.139 0.955 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.479 -7.127 1.478 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.197 -5.161 -0.330 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.965 -7.148 0.195 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.323 -6.164 -0.702 1.00 0.00 C ATOM 668 OH TYR A 47 -8.812 -6.188 -1.982 1.00 0.00 O ATOM 0 H TYR A 47 -8.521 -5.683 3.950 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.864 -3.972 3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.635 -7.001 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.015 -6.078 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.383 -4.346 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.188 -7.896 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.479 -4.397 -1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.285 -7.932 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.212 -6.957 -2.081 1.00 0.00 H new ATOM 678 N THR A 48 -11.955 -4.171 5.945 1.00 0.00 N ATOM 679 CA THR A 48 -12.468 -4.058 7.320 1.00 0.00 C ATOM 680 C THR A 48 -13.491 -5.167 7.635 1.00 0.00 C ATOM 681 O THR A 48 -13.845 -5.975 6.763 1.00 0.00 O ATOM 682 CB THR A 48 -13.129 -2.658 7.530 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.179 -2.466 6.561 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.107 -1.513 7.400 1.00 0.00 C ATOM 0 H THR A 48 -12.457 -3.590 5.273 1.00 0.00 H new ATOM 0 HA THR A 48 -11.624 -4.172 8.000 1.00 0.00 H new ATOM 0 HB THR A 48 -13.536 -2.636 8.541 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.796 -2.118 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.609 -0.558 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.325 -1.636 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.662 -1.534 6.405 1.00 0.00 H new ATOM 692 N ARG A 49 -13.967 -5.185 8.890 1.00 0.00 N ATOM 693 CA ARG A 49 -15.088 -6.050 9.311 1.00 0.00 C ATOM 694 C ARG A 49 -16.400 -5.577 8.648 1.00 0.00 C ATOM 695 O ARG A 49 -17.370 -6.332 8.546 1.00 0.00 O ATOM 696 CB ARG A 49 -15.220 -6.047 10.860 1.00 0.00 C ATOM 697 CG ARG A 49 -15.876 -4.780 11.474 1.00 0.00 C ATOM 698 CD ARG A 49 -15.790 -4.740 13.010 1.00 0.00 C ATOM 699 NE ARG A 49 -16.213 -6.017 13.623 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.510 -6.721 14.526 1.00 0.00 C ATOM 701 NH1 ARG A 49 -14.357 -6.256 15.010 1.00 0.00 N ATOM 702 NH2 ARG A 49 -15.968 -7.888 14.951 1.00 0.00 N ATOM 0 H ARG A 49 -13.590 -4.605 9.640 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.887 -7.072 8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.804 -6.918 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.226 -6.166 11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.391 -3.893 11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.923 -4.738 11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.766 -4.516 13.310 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.417 -3.932 13.387 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.115 -6.396 13.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.998 -5.355 14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.834 -6.802 15.695 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.852 -8.250 14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.437 -8.425 15.636 1.00 0.00 H new ATOM 716 N GLU A 50 -16.398 -4.300 8.228 1.00 0.00 N ATOM 717 CA GLU A 50 -17.501 -3.658 7.506 1.00 0.00 C ATOM 718 C GLU A 50 -17.470 -4.041 6.005 1.00 0.00 C ATOM 719 O GLU A 50 -18.451 -3.845 5.288 1.00 0.00 O ATOM 720 CB GLU A 50 -17.379 -2.119 7.699 1.00 0.00 C ATOM 721 CG GLU A 50 -18.581 -1.294 7.225 1.00 0.00 C ATOM 722 CD GLU A 50 -19.866 -1.593 8.008 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.055 -1.018 9.103 1.00 0.00 O ATOM 724 OE2 GLU A 50 -20.688 -2.409 7.544 1.00 0.00 O ATOM 0 H GLU A 50 -15.609 -3.674 8.387 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.457 -4.000 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.216 -1.916 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.492 -1.774 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.345 -0.234 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.754 -1.491 6.167 1.00 0.00 H new ATOM 731 N GLY A 51 -16.333 -4.619 5.561 1.00 0.00 N ATOM 732 CA GLY A 51 -16.146 -5.055 4.166 1.00 0.00 C ATOM 733 C GLY A 51 -15.648 -3.970 3.215 1.00 0.00 C ATOM 734 O GLY A 51 -15.651 -4.157 1.993 1.00 0.00 O ATOM 0 H GLY A 51 -15.525 -4.794 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.438 -5.884 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.094 -5.440 3.791 1.00 0.00 H new ATOM 738 N ARG A 52 -15.218 -2.837 3.776 1.00 0.00 N ATOM 739 CA ARG A 52 -14.697 -1.688 2.992 1.00 0.00 C ATOM 740 C ARG A 52 -13.166 -1.616 3.154 1.00 0.00 C ATOM 741 O ARG A 52 -12.665 -1.902 4.240 1.00 0.00 O ATOM 742 CB ARG A 52 -15.361 -0.330 3.421 1.00 0.00 C ATOM 743 CG ARG A 52 -16.806 -0.101 2.902 1.00 0.00 C ATOM 744 CD ARG A 52 -17.852 -1.021 3.556 1.00 0.00 C ATOM 745 NE ARG A 52 -19.188 -0.902 2.937 1.00 0.00 N ATOM 746 CZ ARG A 52 -20.298 -0.444 3.545 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.248 0.085 4.768 1.00 0.00 N ATOM 748 NH2 ARG A 52 -21.453 -0.499 2.909 1.00 0.00 N ATOM 0 H ARG A 52 -15.217 -2.679 4.784 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.952 -1.847 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.372 -0.279 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.733 0.489 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.086 0.937 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.824 -0.255 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.515 -2.055 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.926 -0.782 4.617 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.277 -1.192 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.357 0.148 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.101 0.426 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.498 -0.886 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -22.301 -0.155 3.360 1.00 0.00 H new ATOM 762 N PRO A 53 -12.391 -1.275 2.072 1.00 0.00 N ATOM 763 CA PRO A 53 -10.956 -0.933 2.209 1.00 0.00 C ATOM 764 C PRO A 53 -10.783 0.254 3.184 1.00 0.00 C ATOM 765 O PRO A 53 -11.468 1.272 3.047 1.00 0.00 O ATOM 766 CB PRO A 53 -10.520 -0.564 0.764 1.00 0.00 C ATOM 767 CG PRO A 53 -11.513 -1.261 -0.118 1.00 0.00 C ATOM 768 CD PRO A 53 -12.823 -1.227 0.647 1.00 0.00 C ATOM 0 HA PRO A 53 -10.353 -1.743 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.538 0.515 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.503 -0.899 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.606 -0.757 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.204 -2.286 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.392 -0.323 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.460 -2.074 0.391 1.00 0.00 H new ATOM 776 N SER A 54 -9.846 0.125 4.137 1.00 0.00 N ATOM 777 CA SER A 54 -9.639 1.091 5.236 1.00 0.00 C ATOM 778 C SER A 54 -8.910 2.377 4.756 1.00 0.00 C ATOM 779 O SER A 54 -8.498 3.209 5.572 1.00 0.00 O ATOM 780 CB SER A 54 -8.837 0.382 6.367 1.00 0.00 C ATOM 781 OG SER A 54 -8.711 1.191 7.527 1.00 0.00 O ATOM 0 H SER A 54 -9.200 -0.664 4.169 1.00 0.00 H new ATOM 0 HA SER A 54 -10.610 1.415 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.333 -0.552 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.845 0.123 5.998 1.00 0.00 H new ATOM 0 HG SER A 54 -8.597 2.128 7.262 1.00 0.00 H new ATOM 787 N GLY A 55 -8.758 2.519 3.418 1.00 0.00 N ATOM 788 CA GLY A 55 -7.970 3.590 2.811 1.00 0.00 C ATOM 789 C GLY A 55 -6.491 3.216 2.712 1.00 0.00 C ATOM 790 O GLY A 55 -5.731 3.836 1.972 1.00 0.00 O ATOM 0 H GLY A 55 -9.183 1.888 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.358 3.808 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.077 4.500 3.401 1.00 0.00 H new ATOM 794 N GLU A 56 -6.121 2.138 3.429 1.00 0.00 N ATOM 795 CA GLU A 56 -4.746 1.660 3.588 1.00 0.00 C ATOM 796 C GLU A 56 -4.509 0.456 2.674 1.00 0.00 C ATOM 797 O GLU A 56 -5.389 -0.410 2.532 1.00 0.00 O ATOM 798 CB GLU A 56 -4.518 1.244 5.065 1.00 0.00 C ATOM 799 CG GLU A 56 -4.748 2.365 6.089 1.00 0.00 C ATOM 800 CD GLU A 56 -4.758 1.856 7.535 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.702 1.399 8.021 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.823 1.880 8.186 1.00 0.00 O ATOM 0 H GLU A 56 -6.798 1.561 3.928 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.051 2.455 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.182 0.413 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.497 0.877 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.967 3.117 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.697 2.857 5.875 1.00 0.00 H new ATOM 809 N ALA A 57 -3.328 0.421 2.053 1.00 0.00 N ATOM 810 CA ALA A 57 -2.859 -0.726 1.266 1.00 0.00 C ATOM 811 C ALA A 57 -1.358 -0.901 1.478 1.00 0.00 C ATOM 812 O ALA A 57 -0.614 0.078 1.458 1.00 0.00 O ATOM 813 CB ALA A 57 -3.182 -0.545 -0.229 1.00 0.00 C ATOM 0 H ALA A 57 -2.663 1.194 2.081 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.379 -1.623 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.823 -1.410 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.260 -0.452 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.692 0.355 -0.601 1.00 0.00 H new ATOM 819 N PHE A 58 -0.908 -2.145 1.657 1.00 0.00 N ATOM 820 CA PHE A 58 0.500 -2.456 1.870 1.00 0.00 C ATOM 821 C PHE A 58 1.099 -2.845 0.527 1.00 0.00 C ATOM 822 O PHE A 58 0.810 -3.922 0.004 1.00 0.00 O ATOM 823 CB PHE A 58 0.689 -3.597 2.903 1.00 0.00 C ATOM 824 CG PHE A 58 0.454 -3.174 4.348 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.251 -2.194 4.927 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.533 -3.762 5.133 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.056 -1.801 6.234 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.721 -3.367 6.442 1.00 0.00 C ATOM 829 CZ PHE A 58 0.080 -2.389 6.993 1.00 0.00 C ATOM 0 H PHE A 58 -1.515 -2.965 1.658 1.00 0.00 H new ATOM 0 HA PHE A 58 1.006 -1.581 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.006 -4.411 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.701 -3.992 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.035 -1.733 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.159 -4.536 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.676 -1.026 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.498 -3.825 7.036 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.062 -2.088 8.020 1.00 0.00 H new ATOM 839 N VAL A 59 1.904 -1.951 -0.027 1.00 0.00 N ATOM 840 CA VAL A 59 2.619 -2.190 -1.270 1.00 0.00 C ATOM 841 C VAL A 59 3.971 -2.781 -0.889 1.00 0.00 C ATOM 842 O VAL A 59 4.743 -2.162 -0.168 1.00 0.00 O ATOM 843 CB VAL A 59 2.782 -0.853 -2.084 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.721 -1.012 -3.297 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.400 -0.313 -2.520 1.00 0.00 C ATOM 0 H VAL A 59 2.080 -1.031 0.378 1.00 0.00 H new ATOM 0 HA VAL A 59 2.071 -2.877 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 59 3.250 -0.126 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.799 -0.061 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.709 -1.319 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.320 -1.769 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.531 0.612 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.903 -1.052 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.791 -0.118 -1.638 1.00 0.00 H new ATOM 855 N GLU A 60 4.258 -3.970 -1.404 1.00 0.00 N ATOM 856 CA GLU A 60 5.421 -4.759 -0.982 1.00 0.00 C ATOM 857 C GLU A 60 6.465 -4.566 -2.055 1.00 0.00 C ATOM 858 O GLU A 60 6.130 -4.602 -3.221 1.00 0.00 O ATOM 859 CB GLU A 60 5.039 -6.250 -0.825 1.00 0.00 C ATOM 860 CG GLU A 60 6.180 -7.168 -0.364 1.00 0.00 C ATOM 861 CD GLU A 60 5.704 -8.607 -0.098 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.376 -9.332 -1.064 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.630 -9.013 1.081 1.00 0.00 O ATOM 0 H GLU A 60 3.695 -4.419 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 60 5.797 -4.436 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.220 -6.326 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.663 -6.615 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.961 -7.181 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.625 -6.762 0.544 1.00 0.00 H new ATOM 870 N LEU A 61 7.717 -4.355 -1.678 1.00 0.00 N ATOM 871 CA LEU A 61 8.755 -3.876 -2.609 1.00 0.00 C ATOM 872 C LEU A 61 9.964 -4.815 -2.601 1.00 0.00 C ATOM 873 O LEU A 61 10.118 -5.646 -1.707 1.00 0.00 O ATOM 874 CB LEU A 61 9.139 -2.414 -2.239 1.00 0.00 C ATOM 875 CG LEU A 61 7.963 -1.387 -2.368 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.313 -0.026 -1.767 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.505 -1.239 -3.839 1.00 0.00 C ATOM 0 H LEU A 61 8.051 -4.507 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 61 8.368 -3.877 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.511 -2.396 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.959 -2.092 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 61 7.131 -1.789 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.466 0.651 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.543 -0.144 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.180 0.387 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.688 -0.520 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.339 -0.888 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.164 -2.205 -4.213 1.00 0.00 H new ATOM 889 N GLU A 62 10.785 -4.691 -3.646 1.00 0.00 N ATOM 890 CA GLU A 62 11.975 -5.530 -3.844 1.00 0.00 C ATOM 891 C GLU A 62 13.121 -5.056 -2.909 1.00 0.00 C ATOM 892 O GLU A 62 13.865 -5.883 -2.367 1.00 0.00 O ATOM 893 CB GLU A 62 12.368 -5.503 -5.360 1.00 0.00 C ATOM 894 CG GLU A 62 13.150 -6.728 -5.898 1.00 0.00 C ATOM 895 CD GLU A 62 14.559 -6.911 -5.316 1.00 0.00 C ATOM 896 OE1 GLU A 62 15.423 -6.046 -5.566 1.00 0.00 O ATOM 897 OE2 GLU A 62 14.811 -7.909 -4.601 1.00 0.00 O ATOM 0 H GLU A 62 10.644 -4.002 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 62 11.768 -6.566 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.455 -5.398 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.967 -4.611 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.570 -7.628 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.230 -6.640 -6.981 1.00 0.00 H new ATOM 904 N SER A 63 13.212 -3.728 -2.676 1.00 0.00 N ATOM 905 CA SER A 63 14.317 -3.125 -1.902 1.00 0.00 C ATOM 906 C SER A 63 13.913 -1.790 -1.239 1.00 0.00 C ATOM 907 O SER A 63 12.858 -1.207 -1.537 1.00 0.00 O ATOM 908 CB SER A 63 15.549 -2.888 -2.809 1.00 0.00 C ATOM 909 OG SER A 63 16.033 -4.086 -3.388 1.00 0.00 O ATOM 0 H SER A 63 12.529 -3.051 -3.016 1.00 0.00 H new ATOM 0 HA SER A 63 14.565 -3.833 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.284 -2.187 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.343 -2.424 -2.224 1.00 0.00 H new ATOM 0 HG SER A 63 15.464 -4.336 -4.146 1.00 0.00 H new ATOM 915 N GLU A 64 14.796 -1.342 -0.326 1.00 0.00 N ATOM 916 CA GLU A 64 14.708 -0.053 0.386 1.00 0.00 C ATOM 917 C GLU A 64 14.767 1.155 -0.548 1.00 0.00 C ATOM 918 O GLU A 64 14.172 2.184 -0.246 1.00 0.00 O ATOM 919 CB GLU A 64 15.867 0.051 1.395 1.00 0.00 C ATOM 920 CG GLU A 64 15.784 -0.931 2.560 1.00 0.00 C ATOM 921 CD GLU A 64 14.727 -0.553 3.597 1.00 0.00 C ATOM 922 OE1 GLU A 64 14.739 0.606 4.057 1.00 0.00 O ATOM 923 OE2 GLU A 64 13.890 -1.394 3.968 1.00 0.00 O ATOM 0 H GLU A 64 15.616 -1.885 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 64 13.739 -0.035 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.807 -0.110 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.895 1.065 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.563 -1.926 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.757 -0.988 3.048 1.00 0.00 H new ATOM 930 N ASP A 65 15.505 1.032 -1.651 1.00 0.00 N ATOM 931 CA ASP A 65 15.628 2.116 -2.635 1.00 0.00 C ATOM 932 C ASP A 65 14.236 2.428 -3.220 1.00 0.00 C ATOM 933 O ASP A 65 13.831 3.592 -3.307 1.00 0.00 O ATOM 934 CB ASP A 65 16.628 1.713 -3.738 1.00 0.00 C ATOM 935 CG ASP A 65 16.847 2.804 -4.802 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.510 3.822 -4.502 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.369 2.645 -5.941 1.00 0.00 O ATOM 0 H ASP A 65 16.030 0.191 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 65 16.010 3.017 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.585 1.470 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.270 0.807 -4.227 1.00 0.00 H new ATOM 942 N GLU A 66 13.518 1.352 -3.596 1.00 0.00 N ATOM 943 CA GLU A 66 12.099 1.418 -3.991 1.00 0.00 C ATOM 944 C GLU A 66 11.191 1.977 -2.874 1.00 0.00 C ATOM 945 O GLU A 66 10.189 2.627 -3.188 1.00 0.00 O ATOM 946 CB GLU A 66 11.572 0.037 -4.462 1.00 0.00 C ATOM 947 CG GLU A 66 12.212 -0.494 -5.764 1.00 0.00 C ATOM 948 CD GLU A 66 13.563 -1.209 -5.580 1.00 0.00 C ATOM 949 OE1 GLU A 66 14.622 -0.545 -5.582 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.561 -2.439 -5.436 1.00 0.00 O ATOM 0 H GLU A 66 13.908 0.410 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 66 12.057 2.115 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.742 -0.690 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.494 0.106 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.514 -1.184 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.351 0.342 -6.450 1.00 0.00 H new ATOM 957 N VAL A 67 11.504 1.698 -1.579 1.00 0.00 N ATOM 958 CA VAL A 67 10.742 2.287 -0.438 1.00 0.00 C ATOM 959 C VAL A 67 10.868 3.816 -0.439 1.00 0.00 C ATOM 960 O VAL A 67 9.865 4.518 -0.407 1.00 0.00 O ATOM 961 CB VAL A 67 11.212 1.714 0.950 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.530 2.406 2.164 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.989 0.202 0.996 1.00 0.00 C ATOM 0 H VAL A 67 12.266 1.080 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 67 9.697 2.008 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 67 12.277 1.931 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.899 1.964 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.762 3.471 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.450 2.269 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.317 -0.185 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.929 -0.014 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.561 -0.275 0.200 1.00 0.00 H new ATOM 973 N LYS A 68 12.119 4.287 -0.489 1.00 0.00 N ATOM 974 CA LYS A 68 12.470 5.721 -0.544 1.00 0.00 C ATOM 975 C LYS A 68 11.750 6.442 -1.710 1.00 0.00 C ATOM 976 O LYS A 68 11.250 7.558 -1.541 1.00 0.00 O ATOM 977 CB LYS A 68 14.010 5.872 -0.670 1.00 0.00 C ATOM 978 CG LYS A 68 14.817 5.194 0.467 1.00 0.00 C ATOM 979 CD LYS A 68 16.343 5.272 0.236 1.00 0.00 C ATOM 980 CE LYS A 68 17.137 4.532 1.324 1.00 0.00 C ATOM 981 NZ LYS A 68 18.594 4.518 1.038 1.00 0.00 N ATOM 0 H LYS A 68 12.935 3.675 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 68 12.135 6.193 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.327 5.451 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.258 6.933 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.572 5.670 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.518 4.149 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.583 4.846 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.651 6.317 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.962 5.009 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.774 3.508 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.092 4.009 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.765 4.040 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.947 5.495 0.987 1.00 0.00 H new ATOM 995 N LEU A 69 11.683 5.769 -2.884 1.00 0.00 N ATOM 996 CA LEU A 69 10.958 6.284 -4.071 1.00 0.00 C ATOM 997 C LEU A 69 9.441 6.326 -3.813 1.00 0.00 C ATOM 998 O LEU A 69 8.767 7.282 -4.198 1.00 0.00 O ATOM 999 CB LEU A 69 11.239 5.416 -5.331 1.00 0.00 C ATOM 1000 CG LEU A 69 12.718 5.354 -5.817 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.853 4.474 -7.080 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.301 6.771 -6.035 1.00 0.00 C ATOM 0 H LEU A 69 12.125 4.862 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 69 11.322 7.295 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.904 4.399 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.627 5.794 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 69 13.309 4.884 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.896 4.449 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.518 3.461 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.241 4.890 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.334 6.691 -6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.712 7.295 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.268 7.326 -5.097 1.00 0.00 H new ATOM 1014 N ALA A 70 8.932 5.264 -3.163 1.00 0.00 N ATOM 1015 CA ALA A 70 7.495 5.125 -2.823 1.00 0.00 C ATOM 1016 C ALA A 70 7.022 6.282 -1.917 1.00 0.00 C ATOM 1017 O ALA A 70 5.954 6.860 -2.138 1.00 0.00 O ATOM 1018 CB ALA A 70 7.221 3.760 -2.164 1.00 0.00 C ATOM 0 H ALA A 70 9.501 4.475 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 70 6.923 5.176 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.161 3.679 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.499 2.962 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.809 3.673 -1.250 1.00 0.00 H new ATOM 1024 N LEU A 71 7.854 6.608 -0.909 1.00 0.00 N ATOM 1025 CA LEU A 71 7.630 7.733 0.031 1.00 0.00 C ATOM 1026 C LEU A 71 7.497 9.101 -0.690 1.00 0.00 C ATOM 1027 O LEU A 71 6.881 10.011 -0.157 1.00 0.00 O ATOM 1028 CB LEU A 71 8.773 7.789 1.090 1.00 0.00 C ATOM 1029 CG LEU A 71 9.029 6.475 1.901 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.188 6.639 2.902 1.00 0.00 C ATOM 1031 CD2 LEU A 71 7.745 5.965 2.589 1.00 0.00 C ATOM 0 H LEU A 71 8.713 6.093 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 71 6.680 7.544 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.697 8.064 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.547 8.589 1.796 1.00 0.00 H new ATOM 0 HG LEU A 71 9.331 5.711 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.334 5.705 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.101 6.892 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.950 7.436 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.966 5.052 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.375 6.725 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.986 5.758 1.835 1.00 0.00 H new ATOM 1043 N LYS A 72 8.044 9.212 -1.919 1.00 0.00 N ATOM 1044 CA LYS A 72 8.007 10.474 -2.716 1.00 0.00 C ATOM 1045 C LYS A 72 6.606 10.725 -3.307 1.00 0.00 C ATOM 1046 O LYS A 72 6.318 11.822 -3.799 1.00 0.00 O ATOM 1047 CB LYS A 72 9.060 10.457 -3.857 1.00 0.00 C ATOM 1048 CG LYS A 72 10.501 10.130 -3.413 1.00 0.00 C ATOM 1049 CD LYS A 72 11.046 11.076 -2.316 1.00 0.00 C ATOM 1050 CE LYS A 72 12.480 10.707 -1.898 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.010 11.583 -0.822 1.00 0.00 N ATOM 0 H LYS A 72 8.521 8.443 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 72 8.249 11.287 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.752 9.726 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.059 11.431 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.534 9.105 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.159 10.178 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.027 12.103 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.392 11.035 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.500 9.671 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.135 10.771 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.978 11.289 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.019 12.570 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.404 11.504 0.020 1.00 0.00 H new ATOM 1065 N LYS A 73 5.749 9.695 -3.278 1.00 0.00 N ATOM 1066 CA LYS A 73 4.368 9.791 -3.779 1.00 0.00 C ATOM 1067 C LYS A 73 3.381 10.279 -2.689 1.00 0.00 C ATOM 1068 O LYS A 73 2.183 10.401 -2.978 1.00 0.00 O ATOM 1069 CB LYS A 73 3.878 8.431 -4.359 1.00 0.00 C ATOM 1070 CG LYS A 73 4.510 7.993 -5.708 1.00 0.00 C ATOM 1071 CD LYS A 73 5.950 7.452 -5.559 1.00 0.00 C ATOM 1072 CE LYS A 73 6.576 7.011 -6.893 1.00 0.00 C ATOM 1073 NZ LYS A 73 6.754 8.160 -7.818 1.00 0.00 N ATOM 0 H LYS A 73 5.990 8.775 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 73 4.384 10.533 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.074 7.653 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.797 8.483 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.885 7.224 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.517 8.842 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.576 8.223 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.943 6.606 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.541 6.541 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.942 6.259 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.255 7.843 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.823 8.540 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.309 8.902 -7.347 1.00 0.00 H new ATOM 1087 N ASP A 74 3.858 10.504 -1.437 1.00 0.00 N ATOM 1088 CA ASP A 74 3.004 11.009 -0.326 1.00 0.00 C ATOM 1089 C ASP A 74 2.236 12.314 -0.703 1.00 0.00 C ATOM 1090 O ASP A 74 1.011 12.319 -0.756 1.00 0.00 O ATOM 1091 CB ASP A 74 3.835 11.174 1.002 1.00 0.00 C ATOM 1092 CG ASP A 74 4.977 12.226 0.979 1.00 0.00 C ATOM 1093 OD1 ASP A 74 5.566 12.478 -0.093 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.323 12.779 2.048 1.00 0.00 O ATOM 0 H ASP A 74 4.829 10.344 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 74 2.240 10.253 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.146 11.436 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.268 10.206 1.256 1.00 0.00 H new ATOM 1099 N ARG A 75 2.957 13.388 -1.061 1.00 0.00 N ATOM 1100 CA ARG A 75 2.340 14.717 -1.339 1.00 0.00 C ATOM 1101 C ARG A 75 1.487 14.716 -2.631 1.00 0.00 C ATOM 1102 O ARG A 75 0.652 15.611 -2.817 1.00 0.00 O ATOM 1103 CB ARG A 75 3.436 15.842 -1.349 1.00 0.00 C ATOM 1104 CG ARG A 75 3.620 16.640 -0.014 1.00 0.00 C ATOM 1105 CD ARG A 75 3.685 15.769 1.265 1.00 0.00 C ATOM 1106 NE ARG A 75 2.339 15.365 1.750 1.00 0.00 N ATOM 1107 CZ ARG A 75 2.087 14.519 2.766 1.00 0.00 C ATOM 1108 NH1 ARG A 75 3.064 13.888 3.396 1.00 0.00 N ATOM 1109 NH2 ARG A 75 0.835 14.290 3.136 1.00 0.00 N ATOM 0 H ARG A 75 3.971 13.373 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 75 1.645 14.935 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.391 15.387 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.193 16.550 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.536 17.227 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.795 17.346 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.277 14.877 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.200 16.322 2.051 1.00 0.00 H new ATOM 0 HE ARG A 75 1.533 15.765 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.033 14.038 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.849 13.251 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.067 14.754 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.640 13.650 3.905 1.00 0.00 H new ATOM 1123 N GLU A 76 1.699 13.711 -3.505 1.00 0.00 N ATOM 1124 CA GLU A 76 0.909 13.524 -4.736 1.00 0.00 C ATOM 1125 C GLU A 76 -0.600 13.332 -4.448 1.00 0.00 C ATOM 1126 O GLU A 76 -1.000 12.874 -3.375 1.00 0.00 O ATOM 1127 CB GLU A 76 1.435 12.307 -5.545 1.00 0.00 C ATOM 1128 CG GLU A 76 2.916 12.372 -5.968 1.00 0.00 C ATOM 1129 CD GLU A 76 3.234 13.591 -6.836 1.00 0.00 C ATOM 1130 OE1 GLU A 76 2.753 13.646 -7.989 1.00 0.00 O ATOM 1131 OE2 GLU A 76 3.925 14.516 -6.369 1.00 0.00 O ATOM 0 H GLU A 76 2.424 13.006 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 76 1.026 14.437 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.286 11.407 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.825 12.200 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.543 12.394 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.172 11.465 -6.516 1.00 0.00 H new ATOM 1138 N THR A 77 -1.405 13.707 -5.448 1.00 0.00 N ATOM 1139 CA THR A 77 -2.866 13.548 -5.443 1.00 0.00 C ATOM 1140 C THR A 77 -3.254 12.315 -6.273 1.00 0.00 C ATOM 1141 O THR A 77 -2.542 11.939 -7.213 1.00 0.00 O ATOM 1142 CB THR A 77 -3.572 14.823 -6.018 1.00 0.00 C ATOM 1143 OG1 THR A 77 -3.038 15.144 -7.315 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.408 16.030 -5.088 1.00 0.00 C ATOM 0 H THR A 77 -1.053 14.139 -6.302 1.00 0.00 H new ATOM 0 HA THR A 77 -3.195 13.413 -4.413 1.00 0.00 H new ATOM 0 HB THR A 77 -4.635 14.598 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.487 15.941 -7.666 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.911 16.894 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.848 15.803 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.348 16.252 -4.963 1.00 0.00 H new ATOM 1152 N MET A 78 -4.377 11.701 -5.897 1.00 0.00 N ATOM 1153 CA MET A 78 -4.938 10.521 -6.571 1.00 0.00 C ATOM 1154 C MET A 78 -6.477 10.593 -6.486 1.00 0.00 C ATOM 1155 O MET A 78 -7.050 10.542 -5.388 1.00 0.00 O ATOM 1156 CB MET A 78 -4.382 9.235 -5.903 1.00 0.00 C ATOM 1157 CG MET A 78 -4.779 7.922 -6.571 1.00 0.00 C ATOM 1158 SD MET A 78 -3.916 6.526 -5.818 1.00 0.00 S ATOM 1159 CE MET A 78 -4.525 5.147 -6.779 1.00 0.00 C ATOM 0 H MET A 78 -4.935 12.013 -5.102 1.00 0.00 H new ATOM 0 HA MET A 78 -4.651 10.498 -7.622 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.294 9.298 -5.884 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.718 9.211 -4.866 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.856 7.777 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.547 7.966 -7.635 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.072 4.224 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.608 5.083 -6.678 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.267 5.292 -7.828 1.00 0.00 H new ATOM 1169 N GLY A 79 -7.127 10.752 -7.655 1.00 0.00 N ATOM 1170 CA GLY A 79 -8.567 11.015 -7.737 1.00 0.00 C ATOM 1171 C GLY A 79 -8.860 12.472 -7.407 1.00 0.00 C ATOM 1172 O GLY A 79 -8.994 13.307 -8.310 1.00 0.00 O ATOM 0 H GLY A 79 -6.666 10.701 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.929 10.782 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.102 10.364 -7.045 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.917 12.773 -6.098 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.967 14.152 -5.572 1.00 0.00 C ATOM 1178 C HIS A 80 -8.510 14.164 -4.087 1.00 0.00 C ATOM 1179 O HIS A 80 -8.767 15.112 -3.345 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.392 14.772 -5.751 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.450 16.264 -5.500 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.220 16.838 -4.515 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -9.793 17.288 -6.097 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -11.028 18.142 -4.508 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -10.171 18.443 -5.459 1.00 0.00 N ATOM 0 H HIS A 80 -8.930 12.061 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.280 14.776 -6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.740 14.571 -6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.082 14.272 -5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.100 17.210 -6.922 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.496 18.845 -3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.841 19.381 -5.685 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.791 13.107 -3.670 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.260 12.977 -2.295 1.00 0.00 C ATOM 1196 C ARG A 81 -5.729 13.075 -2.316 1.00 0.00 C ATOM 1197 O ARG A 81 -5.078 12.531 -3.207 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.702 11.637 -1.617 1.00 0.00 C ATOM 1199 CG ARG A 81 -9.102 11.653 -0.945 1.00 0.00 C ATOM 1200 CD ARG A 81 -10.275 11.686 -1.935 1.00 0.00 C ATOM 1201 NE ARG A 81 -11.576 11.605 -1.250 1.00 0.00 N ATOM 1202 CZ ARG A 81 -12.773 11.615 -1.848 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -12.884 11.793 -3.160 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -13.858 11.473 -1.112 1.00 0.00 N ATOM 0 H ARG A 81 -7.560 12.318 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.674 13.794 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.689 10.849 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.961 11.370 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.199 10.770 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.169 12.522 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.230 12.604 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.182 10.856 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.564 11.535 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.048 11.925 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.805 11.798 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.777 11.358 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.778 11.479 -1.553 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.173 13.777 -1.319 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.723 13.819 -1.077 1.00 0.00 C ATOM 1220 C TYR A 82 -3.345 12.514 -0.369 1.00 0.00 C ATOM 1221 O TYR A 82 -3.975 12.151 0.635 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.338 15.045 -0.211 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.722 16.402 -0.822 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -5.005 16.929 -0.647 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.810 17.152 -1.570 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -5.360 18.147 -1.187 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -3.167 18.375 -2.111 1.00 0.00 C ATOM 1228 CZ TYR A 82 -4.442 18.867 -1.922 1.00 0.00 C ATOM 1229 OH TYR A 82 -4.802 20.089 -2.459 1.00 0.00 O ATOM 0 H TYR A 82 -5.715 14.332 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.183 13.917 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.817 14.951 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.262 15.029 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.733 16.371 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.812 16.771 -1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.356 18.537 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.448 18.944 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.042 20.468 -2.947 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.329 11.825 -0.877 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.984 10.461 -0.450 1.00 0.00 C ATOM 1241 C VAL A 83 -1.037 10.521 0.773 1.00 0.00 C ATOM 1242 O VAL A 83 -0.544 11.591 1.142 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.356 9.688 -1.687 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.895 8.247 -1.357 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.367 9.674 -2.863 1.00 0.00 C ATOM 0 H VAL A 83 -1.714 12.194 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.869 9.911 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.455 10.233 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.478 7.785 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.135 8.278 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.747 7.663 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.933 9.143 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.282 9.171 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.598 10.698 -3.157 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.865 9.397 1.469 1.00 0.00 N ATOM 1256 CA GLU A 84 0.117 9.265 2.555 1.00 0.00 C ATOM 1257 C GLU A 84 0.841 7.932 2.366 1.00 0.00 C ATOM 1258 O GLU A 84 0.208 6.878 2.429 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.590 9.286 3.933 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.391 10.558 4.240 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.084 10.501 5.605 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -3.125 9.821 5.728 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -1.566 11.095 6.576 1.00 0.00 O ATOM 0 H GLU A 84 -1.403 8.547 1.298 1.00 0.00 H new ATOM 0 HA GLU A 84 0.821 10.097 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.263 8.430 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.162 9.154 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.724 11.419 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.140 10.708 3.462 1.00 0.00 H new ATOM 1270 N VAL A 85 2.155 7.982 2.137 1.00 0.00 N ATOM 1271 CA VAL A 85 2.976 6.776 1.987 1.00 0.00 C ATOM 1272 C VAL A 85 3.996 6.754 3.130 1.00 0.00 C ATOM 1273 O VAL A 85 4.836 7.655 3.224 1.00 0.00 O ATOM 1274 CB VAL A 85 3.714 6.712 0.598 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.402 5.337 0.395 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.750 7.038 -0.575 1.00 0.00 C ATOM 0 H VAL A 85 2.678 8.853 2.051 1.00 0.00 H new ATOM 0 HA VAL A 85 2.323 5.904 2.026 1.00 0.00 H new ATOM 0 HB VAL A 85 4.491 7.477 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.904 5.321 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.134 5.176 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.652 4.547 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.294 6.984 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.933 6.317 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.346 8.042 -0.446 1.00 0.00 H new ATOM 1286 N PHE A 86 3.891 5.747 4.010 1.00 0.00 N ATOM 1287 CA PHE A 86 4.792 5.575 5.169 1.00 0.00 C ATOM 1288 C PHE A 86 5.554 4.259 5.002 1.00 0.00 C ATOM 1289 O PHE A 86 5.326 3.526 4.041 1.00 0.00 O ATOM 1290 CB PHE A 86 3.984 5.574 6.498 1.00 0.00 C ATOM 1291 CG PHE A 86 3.204 6.862 6.749 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.847 8.004 7.220 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.834 6.933 6.499 1.00 0.00 C ATOM 1294 CE1 PHE A 86 3.148 9.177 7.429 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.143 8.107 6.707 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.796 9.226 7.173 1.00 0.00 C ATOM 0 H PHE A 86 3.176 5.023 3.941 1.00 0.00 H new ATOM 0 HA PHE A 86 5.496 6.406 5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.288 4.735 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.670 5.409 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.907 7.972 7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.310 6.060 6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.661 10.055 7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.083 8.150 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.248 10.142 7.338 1.00 0.00 H new ATOM 1306 N LYS A 87 6.428 3.940 5.960 1.00 0.00 N ATOM 1307 CA LYS A 87 7.327 2.786 5.867 1.00 0.00 C ATOM 1308 C LYS A 87 6.774 1.634 6.714 1.00 0.00 C ATOM 1309 O LYS A 87 6.577 1.792 7.924 1.00 0.00 O ATOM 1310 CB LYS A 87 8.748 3.180 6.337 1.00 0.00 C ATOM 1311 CG LYS A 87 9.773 2.032 6.257 1.00 0.00 C ATOM 1312 CD LYS A 87 11.195 2.456 6.674 1.00 0.00 C ATOM 1313 CE LYS A 87 12.202 1.317 6.478 1.00 0.00 C ATOM 1314 NZ LYS A 87 12.207 0.837 5.074 1.00 0.00 N ATOM 0 H LYS A 87 6.533 4.474 6.822 1.00 0.00 H new ATOM 0 HA LYS A 87 7.390 2.458 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.103 4.013 5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.694 3.535 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.443 1.214 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.800 1.648 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.504 3.321 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.192 2.764 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.200 1.660 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.955 0.492 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.018 0.203 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.325 0.321 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.281 1.650 4.429 1.00 0.00 H new ATOM 1328 N SER A 88 6.510 0.501 6.061 1.00 0.00 N ATOM 1329 CA SER A 88 5.987 -0.707 6.704 1.00 0.00 C ATOM 1330 C SER A 88 7.049 -1.821 6.753 1.00 0.00 C ATOM 1331 O SER A 88 7.826 -2.014 5.819 1.00 0.00 O ATOM 1332 CB SER A 88 4.745 -1.194 5.938 1.00 0.00 C ATOM 1333 OG SER A 88 3.740 -0.198 5.934 1.00 0.00 O ATOM 0 H SER A 88 6.655 0.395 5.057 1.00 0.00 H new ATOM 0 HA SER A 88 5.715 -0.463 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.019 -1.446 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.361 -2.104 6.399 1.00 0.00 H new ATOM 0 HG SER A 88 4.022 0.549 5.366 1.00 0.00 H new ATOM 1339 N ASN A 89 7.073 -2.531 7.871 1.00 0.00 N ATOM 1340 CA ASN A 89 7.912 -3.723 8.076 1.00 0.00 C ATOM 1341 C ASN A 89 7.079 -4.975 7.788 1.00 0.00 C ATOM 1342 O ASN A 89 5.864 -4.889 7.676 1.00 0.00 O ATOM 1343 CB ASN A 89 8.457 -3.713 9.526 1.00 0.00 C ATOM 1344 CG ASN A 89 9.376 -2.516 9.789 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.903 -1.390 9.969 1.00 0.00 O ATOM 1346 ND2 ASN A 89 10.678 -2.745 9.855 1.00 0.00 N ATOM 0 H ASN A 89 6.502 -2.298 8.683 1.00 0.00 H new ATOM 0 HA ASN A 89 8.764 -3.721 7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.622 -3.689 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.004 -4.637 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.321 -1.980 10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.039 -3.687 9.702 1.00 0.00 H new ATOM 1353 N ASN A 90 7.749 -6.122 7.644 1.00 0.00 N ATOM 1354 CA ASN A 90 7.089 -7.428 7.388 1.00 0.00 C ATOM 1355 C ASN A 90 6.169 -7.819 8.571 1.00 0.00 C ATOM 1356 O ASN A 90 5.065 -8.337 8.376 1.00 0.00 O ATOM 1357 CB ASN A 90 8.157 -8.531 7.136 1.00 0.00 C ATOM 1358 CG ASN A 90 7.565 -9.862 6.658 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.568 -9.889 5.934 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.165 -10.974 7.059 1.00 0.00 N ATOM 0 H ASN A 90 8.766 -6.183 7.700 1.00 0.00 H new ATOM 0 HA ASN A 90 6.470 -7.333 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.869 -8.172 6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.715 -8.701 8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.803 -11.882 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.989 -10.921 7.658 1.00 0.00 H new ATOM 1367 N VAL A 91 6.645 -7.506 9.790 1.00 0.00 N ATOM 1368 CA VAL A 91 5.892 -7.732 11.043 1.00 0.00 C ATOM 1369 C VAL A 91 4.683 -6.774 11.124 1.00 0.00 C ATOM 1370 O VAL A 91 3.572 -7.186 11.461 1.00 0.00 O ATOM 1371 CB VAL A 91 6.799 -7.548 12.317 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.992 -7.762 13.628 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.021 -8.485 12.261 1.00 0.00 C ATOM 0 H VAL A 91 7.564 -7.088 9.937 1.00 0.00 H new ATOM 0 HA VAL A 91 5.541 -8.764 11.026 1.00 0.00 H new ATOM 0 HB VAL A 91 7.159 -6.519 12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.650 -7.627 14.486 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.179 -7.038 13.677 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.580 -8.771 13.641 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.632 -8.339 13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.684 -9.521 12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.613 -8.259 11.374 1.00 0.00 H new ATOM 1383 N GLU A 92 4.935 -5.509 10.755 1.00 0.00 N ATOM 1384 CA GLU A 92 3.961 -4.400 10.858 1.00 0.00 C ATOM 1385 C GLU A 92 2.809 -4.616 9.850 1.00 0.00 C ATOM 1386 O GLU A 92 1.632 -4.445 10.181 1.00 0.00 O ATOM 1387 CB GLU A 92 4.729 -3.056 10.627 1.00 0.00 C ATOM 1388 CG GLU A 92 4.014 -1.756 11.075 1.00 0.00 C ATOM 1389 CD GLU A 92 2.903 -1.271 10.125 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.147 -1.196 8.901 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.798 -0.931 10.600 1.00 0.00 O ATOM 0 H GLU A 92 5.834 -5.218 10.370 1.00 0.00 H new ATOM 0 HA GLU A 92 3.502 -4.365 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.683 -3.116 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.953 -2.971 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.583 -1.917 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.757 -0.965 11.176 1.00 0.00 H new ATOM 1398 N MET A 93 3.188 -5.051 8.642 1.00 0.00 N ATOM 1399 CA MET A 93 2.269 -5.366 7.532 1.00 0.00 C ATOM 1400 C MET A 93 1.305 -6.493 7.931 1.00 0.00 C ATOM 1401 O MET A 93 0.079 -6.349 7.837 1.00 0.00 O ATOM 1402 CB MET A 93 3.103 -5.776 6.287 1.00 0.00 C ATOM 1403 CG MET A 93 2.297 -6.304 5.091 1.00 0.00 C ATOM 1404 SD MET A 93 3.337 -6.726 3.671 1.00 0.00 S ATOM 1405 CE MET A 93 4.412 -7.983 4.356 1.00 0.00 C ATOM 0 H MET A 93 4.168 -5.199 8.399 1.00 0.00 H new ATOM 0 HA MET A 93 1.672 -4.486 7.295 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.681 -4.912 5.959 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.817 -6.543 6.587 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.736 -7.186 5.399 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.568 -5.552 4.790 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.574 -8.766 3.615 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.368 -7.536 4.627 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.949 -8.414 5.244 1.00 0.00 H new ATOM 1415 N ASP A 94 1.896 -7.596 8.403 1.00 0.00 N ATOM 1416 CA ASP A 94 1.165 -8.812 8.807 1.00 0.00 C ATOM 1417 C ASP A 94 0.170 -8.528 9.949 1.00 0.00 C ATOM 1418 O ASP A 94 -0.992 -8.955 9.899 1.00 0.00 O ATOM 1419 CB ASP A 94 2.188 -9.887 9.247 1.00 0.00 C ATOM 1420 CG ASP A 94 1.538 -11.192 9.735 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.145 -12.024 8.886 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.433 -11.407 10.965 1.00 0.00 O ATOM 0 H ASP A 94 2.906 -7.675 8.518 1.00 0.00 H new ATOM 0 HA ASP A 94 0.586 -9.168 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.849 -10.111 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.810 -9.480 10.045 1.00 0.00 H new ATOM 1427 N TRP A 95 0.654 -7.784 10.954 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.099 -7.435 12.172 1.00 0.00 C ATOM 1429 C TRP A 95 -1.371 -6.617 11.841 1.00 0.00 C ATOM 1430 O TRP A 95 -2.439 -6.854 12.404 1.00 0.00 O ATOM 1431 CB TRP A 95 0.853 -6.659 13.127 1.00 0.00 C ATOM 1432 CG TRP A 95 0.224 -6.126 14.399 1.00 0.00 C ATOM 1433 CD1 TRP A 95 0.144 -4.816 14.779 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -0.416 -6.884 15.448 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.482 -4.716 15.991 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.844 -5.963 16.418 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.668 -8.247 15.660 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -1.505 -6.352 17.582 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.329 -8.633 16.813 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -1.742 -7.686 17.762 1.00 0.00 C ATOM 0 H TRP A 95 1.599 -7.399 10.945 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.446 -8.345 12.663 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.678 -7.317 13.401 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.283 -5.821 12.578 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.520 -3.981 14.206 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.652 -3.847 16.497 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.352 -8.983 14.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.819 -5.625 18.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.530 -9.680 16.985 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.257 -8.017 18.652 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.245 -5.684 10.897 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.346 -4.783 10.492 1.00 0.00 C ATOM 1453 C VAL A 96 -3.317 -5.475 9.497 1.00 0.00 C ATOM 1454 O VAL A 96 -4.506 -5.153 9.462 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.753 -3.446 9.915 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -2.844 -2.516 9.327 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.926 -2.712 11.006 1.00 0.00 C ATOM 0 H VAL A 96 -0.377 -5.524 10.385 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.941 -4.538 11.372 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.095 -3.713 9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.380 -1.608 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.362 -3.029 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.559 -2.256 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.520 -1.788 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.569 -2.480 11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.108 -3.353 11.335 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.820 -6.443 8.711 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.677 -7.239 7.798 1.00 0.00 C ATOM 1469 C LEU A 97 -4.579 -8.212 8.594 1.00 0.00 C ATOM 1470 O LEU A 97 -5.775 -8.332 8.310 1.00 0.00 O ATOM 1471 CB LEU A 97 -2.815 -8.015 6.759 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.167 -7.153 5.628 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.239 -8.000 4.732 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.245 -6.424 4.790 1.00 0.00 C ATOM 0 H LEU A 97 -1.833 -6.698 8.684 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.320 -6.546 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.020 -8.536 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.440 -8.778 6.295 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.551 -6.393 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.806 -7.368 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.441 -8.430 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.814 -8.801 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.763 -5.833 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.907 -7.158 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.826 -5.767 5.437 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.994 -8.874 9.600 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.670 -9.935 10.384 1.00 0.00 C ATOM 1488 C LYS A 98 -5.562 -9.370 11.505 1.00 0.00 C ATOM 1489 O LYS A 98 -6.617 -9.940 11.817 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.616 -10.889 11.002 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.842 -11.734 9.975 1.00 0.00 C ATOM 1492 CD LYS A 98 -1.749 -12.617 10.620 1.00 0.00 C ATOM 1493 CE LYS A 98 -2.294 -13.585 11.684 1.00 0.00 C ATOM 1494 NZ LYS A 98 -1.225 -14.419 12.288 1.00 0.00 N ATOM 0 H LYS A 98 -3.036 -8.694 9.900 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.315 -10.476 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.904 -10.299 11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.116 -11.558 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.543 -12.370 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.381 -11.072 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.249 -13.191 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.996 -11.975 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.794 -13.016 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.045 -14.233 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.640 -15.055 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.764 -14.983 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.521 -13.804 12.743 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.122 -8.261 12.113 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.708 -7.768 13.380 1.00 0.00 C ATOM 1510 C HIS A 99 -6.339 -6.366 13.221 1.00 0.00 C ATOM 1511 O HIS A 99 -6.962 -5.876 14.164 1.00 0.00 O ATOM 1512 CB HIS A 99 -4.598 -7.767 14.471 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.077 -7.557 15.884 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -5.174 -6.317 16.471 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.466 -8.444 16.830 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -5.583 -6.449 17.713 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.772 -7.730 17.959 1.00 0.00 N ATOM 0 H HIS A 99 -4.362 -7.683 11.753 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.519 -8.433 13.678 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.066 -8.717 14.424 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.877 -6.986 14.230 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.524 -9.516 16.716 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.738 -5.643 18.415 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.093 -8.125 18.843 1.00 0.00 H new ATOM 1526 N THR A 100 -6.194 -5.759 12.013 1.00 0.00 N ATOM 1527 CA THR A 100 -6.510 -4.324 11.710 1.00 0.00 C ATOM 1528 C THR A 100 -5.696 -3.368 12.609 1.00 0.00 C ATOM 1529 O THR A 100 -5.682 -3.538 13.828 1.00 0.00 O ATOM 1530 CB THR A 100 -8.046 -3.951 11.733 1.00 0.00 C ATOM 1531 OG1 THR A 100 -8.636 -4.194 13.018 1.00 0.00 O ATOM 1532 CG2 THR A 100 -8.834 -4.723 10.659 1.00 0.00 C ATOM 0 H THR A 100 -5.845 -6.262 11.197 1.00 0.00 H new ATOM 0 HA THR A 100 -6.206 -4.192 10.672 1.00 0.00 H new ATOM 0 HB THR A 100 -8.103 -2.884 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.940 -4.466 13.652 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.886 -4.440 10.706 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.437 -4.482 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.738 -5.794 10.837 1.00 0.00 H new ATOM 1540 N GLY A 101 -5.065 -2.349 11.976 1.00 0.00 N ATOM 1541 CA GLY A 101 -4.090 -1.447 12.630 1.00 0.00 C ATOM 1542 C GLY A 101 -4.523 -0.902 13.996 1.00 0.00 C ATOM 1543 O GLY A 101 -5.375 -0.012 14.044 1.00 0.00 O ATOM 0 H GLY A 101 -5.220 -2.130 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.148 -1.982 12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.895 -0.605 11.966 1.00 0.00 H new ATOM 1547 N PRO A 102 -4.003 -1.473 15.137 1.00 0.00 N ATOM 1548 CA PRO A 102 -4.316 -1.025 16.497 1.00 0.00 C ATOM 1549 C PRO A 102 -3.184 -0.137 17.051 1.00 0.00 C ATOM 1550 O PRO A 102 -2.461 -0.533 17.977 1.00 0.00 O ATOM 1551 CB PRO A 102 -4.445 -2.383 17.239 1.00 0.00 C ATOM 1552 CG PRO A 102 -3.483 -3.310 16.527 1.00 0.00 C ATOM 1553 CD PRO A 102 -3.080 -2.632 15.210 1.00 0.00 C ATOM 0 HA PRO A 102 -5.206 -0.403 16.590 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.189 -2.283 18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.466 -2.762 17.193 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.605 -3.500 17.145 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.952 -4.275 16.334 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.037 -2.317 15.221 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.203 -3.300 14.358 1.00 0.00 H new ATOM 1561 N ASN A 103 -3.047 1.057 16.426 1.00 0.00 N ATOM 1562 CA ASN A 103 -1.977 2.045 16.711 1.00 0.00 C ATOM 1563 C ASN A 103 -0.626 1.551 16.151 1.00 0.00 C ATOM 1564 O ASN A 103 -0.026 0.621 16.696 1.00 0.00 O ATOM 1565 CB ASN A 103 -1.863 2.389 18.236 1.00 0.00 C ATOM 1566 CG ASN A 103 -3.088 3.106 18.805 1.00 0.00 C ATOM 1567 OD1 ASN A 103 -4.065 2.477 19.217 1.00 0.00 O ATOM 1568 ND2 ASN A 103 -3.032 4.426 18.859 1.00 0.00 N ATOM 0 H ASN A 103 -3.689 1.367 15.696 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.251 2.971 16.206 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.702 1.467 18.795 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -0.984 3.014 18.392 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.812 4.954 19.250 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.209 4.916 18.509 1.00 0.00 H new ATOM 1575 N SER A 104 -0.171 2.162 15.039 1.00 0.00 N ATOM 1576 CA SER A 104 1.144 1.876 14.437 1.00 0.00 C ATOM 1577 C SER A 104 2.153 2.976 14.863 1.00 0.00 C ATOM 1578 O SER A 104 2.088 4.101 14.344 1.00 0.00 O ATOM 1579 CB SER A 104 1.018 1.815 12.894 1.00 0.00 C ATOM 1580 OG SER A 104 0.087 0.816 12.492 1.00 0.00 O ATOM 0 H SER A 104 -0.706 2.868 14.534 1.00 0.00 H new ATOM 0 HA SER A 104 1.506 0.909 14.788 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.700 2.786 12.514 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.993 1.605 12.455 1.00 0.00 H new ATOM 0 HG SER A 104 0.523 0.191 11.876 1.00 0.00 H new ATOM 1586 N PRO A 105 3.066 2.691 15.851 1.00 0.00 N ATOM 1587 CA PRO A 105 4.043 3.686 16.347 1.00 0.00 C ATOM 1588 C PRO A 105 5.283 3.821 15.416 1.00 0.00 C ATOM 1589 O PRO A 105 6.096 2.887 15.296 1.00 0.00 O ATOM 1590 CB PRO A 105 4.413 3.130 17.746 1.00 0.00 C ATOM 1591 CG PRO A 105 4.283 1.639 17.609 1.00 0.00 C ATOM 1592 CD PRO A 105 3.205 1.389 16.564 1.00 0.00 C ATOM 0 HA PRO A 105 3.641 4.698 16.380 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.426 3.415 18.030 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.745 3.517 18.516 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.230 1.194 17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.011 1.185 18.562 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.493 0.591 15.880 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.265 1.088 17.027 1.00 0.00 H new ATOM 1600 N ASP A 106 5.401 4.996 14.753 1.00 0.00 N ATOM 1601 CA ASP A 106 6.551 5.329 13.877 1.00 0.00 C ATOM 1602 C ASP A 106 7.786 5.735 14.716 1.00 0.00 C ATOM 1603 O ASP A 106 8.906 5.794 14.187 1.00 0.00 O ATOM 1604 CB ASP A 106 6.177 6.460 12.874 1.00 0.00 C ATOM 1605 CG ASP A 106 5.863 7.813 13.554 1.00 0.00 C ATOM 1606 OD1 ASP A 106 4.705 8.023 13.978 1.00 0.00 O ATOM 1607 OD2 ASP A 106 6.782 8.662 13.685 1.00 0.00 O ATOM 0 H ASP A 106 4.704 5.738 14.810 1.00 0.00 H new ATOM 0 HA ASP A 106 6.805 4.436 13.306 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.999 6.598 12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.311 6.146 12.292 1.00 0.00 H new ATOM 1612 N THR A 107 7.562 6.039 16.012 1.00 0.00 N ATOM 1613 CA THR A 107 8.639 6.332 16.968 1.00 0.00 C ATOM 1614 C THR A 107 9.532 5.082 17.151 1.00 0.00 C ATOM 1615 O THR A 107 9.200 4.173 17.919 1.00 0.00 O ATOM 1616 CB THR A 107 8.051 6.820 18.341 1.00 0.00 C ATOM 1617 OG1 THR A 107 7.011 5.923 18.781 1.00 0.00 O ATOM 1618 CG2 THR A 107 7.486 8.256 18.252 1.00 0.00 C ATOM 0 H THR A 107 6.628 6.087 16.420 1.00 0.00 H new ATOM 0 HA THR A 107 9.254 7.140 16.572 1.00 0.00 H new ATOM 0 HB THR A 107 8.870 6.824 19.061 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.311 4.996 18.673 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.090 8.552 19.223 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.281 8.942 17.960 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.688 8.288 17.510 1.00 0.00 H new ATOM 1626 N ALA A 108 10.638 5.034 16.394 1.00 0.00 N ATOM 1627 CA ALA A 108 11.596 3.909 16.399 1.00 0.00 C ATOM 1628 C ALA A 108 12.951 4.374 16.958 1.00 0.00 C ATOM 1629 O ALA A 108 13.152 5.570 17.191 1.00 0.00 O ATOM 1630 CB ALA A 108 11.722 3.356 14.969 1.00 0.00 C ATOM 0 H ALA A 108 10.899 5.782 15.752 1.00 0.00 H new ATOM 0 HA ALA A 108 11.238 3.108 17.046 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.427 2.525 14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.747 3.008 14.626 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.081 4.142 14.305 1.00 0.00 H new ATOM 1636 N ASN A 109 13.877 3.427 17.185 1.00 0.00 N ATOM 1637 CA ASN A 109 15.212 3.724 17.760 1.00 0.00 C ATOM 1638 C ASN A 109 16.327 2.955 17.025 1.00 0.00 C ATOM 1639 O ASN A 109 16.060 1.999 16.288 1.00 0.00 O ATOM 1640 CB ASN A 109 15.234 3.402 19.280 1.00 0.00 C ATOM 1641 CG ASN A 109 15.107 1.910 19.592 1.00 0.00 C ATOM 1642 OD1 ASN A 109 14.002 1.391 19.706 1.00 0.00 O ATOM 1643 ND2 ASN A 109 16.231 1.216 19.762 1.00 0.00 N ATOM 0 H ASN A 109 13.729 2.439 16.979 1.00 0.00 H new ATOM 0 HA ASN A 109 15.402 4.789 17.626 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.164 3.776 19.709 1.00 0.00 H new ATOM 0 HB3 ASN A 109 14.420 3.937 19.768 1.00 0.00 H new ATOM 0 HD21 ASN A 109 16.188 0.224 19.994 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.135 1.677 19.660 1.00 0.00 H new ATOM 1650 N ASP A 110 17.584 3.391 17.257 1.00 0.00 N ATOM 1651 CA ASP A 110 18.795 2.769 16.678 1.00 0.00 C ATOM 1652 C ASP A 110 19.318 1.644 17.580 1.00 0.00 C ATOM 1653 O ASP A 110 19.006 1.585 18.776 1.00 0.00 O ATOM 1654 CB ASP A 110 19.924 3.824 16.486 1.00 0.00 C ATOM 1655 CG ASP A 110 19.610 4.858 15.396 1.00 0.00 C ATOM 1656 OD1 ASP A 110 19.775 4.543 14.198 1.00 0.00 O ATOM 1657 OD2 ASP A 110 19.186 5.987 15.725 1.00 0.00 O ATOM 0 H ASP A 110 17.789 4.191 17.856 1.00 0.00 H new ATOM 0 HA ASP A 110 18.515 2.356 15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 110 20.092 4.342 17.430 1.00 0.00 H new ATOM 0 HB3 ASP A 110 20.852 3.311 16.234 1.00 0.00 H new ATOM 1662 N GLY A 111 20.130 0.758 16.979 1.00 0.00 N ATOM 1663 CA GLY A 111 20.827 -0.301 17.703 1.00 0.00 C ATOM 1664 C GLY A 111 22.184 0.165 18.237 1.00 0.00 C ATOM 1665 O GLY A 111 22.787 1.083 17.634 1.00 0.00 O ATOM 1666 OXT GLY A 111 22.667 -0.384 19.249 1.00 0.00 O ATOM 0 H GLY A 111 20.317 0.762 15.976 1.00 0.00 H new ATOM 0 HA2 GLY A 111 20.208 -0.640 18.534 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.972 -1.156 17.043 1.00 0.00 H new TER 1670 GLY A 111