USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 721 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0405 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 11 CYS SG : rot -170:sc= -0.184 USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -0.0365 (180deg=-0.255) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 42:sc= -0.113 USER MOD Single : A 20 SER OG : rot 35:sc= 0.416 USER MOD Single : A 25 GLN : amide:sc= -1.78 K(o=-1.8,f=-4.9!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 123:sc= 0.169 USER MOD Single : A 34 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.0019) USER MOD Single : A 36 THR OG1 : rot 41:sc= 0.0507 USER MOD Single : A 39 THR OG1 : rot -60:sc= 0.445 USER MOD Single : A 41 TYR OH : rot 70:sc= -1.49 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 166:sc= -2.12 (180deg=-2.82) USER MOD Single : A 53 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.4) USER MOD Single : A 55 CYS SG : rot -90:sc= -1.83 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.183 USER MOD Single : A 57 CYS SG : rot 5:sc= 0.904 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 0.598 (180deg=0.217) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.78 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 100:sc= 0.672 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 18:sc= -0.334 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.91! C(o=-5.4!,f=-3.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.00854 USER MOD Single : A 90 SER OG : rot 100:sc= 0 USER MOD Single : A 95 CYS SG : rot 47:sc= -0.155 USER MOD Single : A 97 THR OG1 : rot 136:sc= 1.69 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 46:sc= 1.12 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.585 -23.148 8.091 1.00 0.00 N ATOM 2 CA GLY A 1 -4.700 -22.175 9.162 1.00 0.00 C ATOM 3 C GLY A 1 -6.043 -22.242 9.863 1.00 0.00 C ATOM 4 O GLY A 1 -6.699 -23.284 9.866 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.681 -23.654 8.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.369 -23.828 8.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.622 -22.660 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.905 -22.343 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.555 -21.174 8.757 1.00 0.00 H new ATOM 8 N SER A 2 -6.452 -21.128 10.461 1.00 0.00 N ATOM 9 CA SER A 2 -7.723 -21.064 11.173 1.00 0.00 C ATOM 10 C SER A 2 -8.892 -21.302 10.222 1.00 0.00 C ATOM 11 O SER A 2 -8.759 -21.147 9.008 1.00 0.00 O ATOM 12 CB SER A 2 -7.878 -19.708 11.863 1.00 0.00 C ATOM 13 OG SER A 2 -7.696 -18.645 10.943 1.00 0.00 O ATOM 0 H SER A 2 -5.921 -20.257 10.467 1.00 0.00 H new ATOM 0 HA SER A 2 -7.728 -21.850 11.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.867 -19.637 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.152 -19.622 12.671 1.00 0.00 H new ATOM 0 HG SER A 2 -7.802 -17.789 11.408 1.00 0.00 H new ATOM 19 N SER A 3 -10.036 -21.680 10.783 1.00 0.00 N ATOM 20 CA SER A 3 -11.228 -21.942 9.986 1.00 0.00 C ATOM 21 C SER A 3 -12.169 -20.743 10.003 1.00 0.00 C ATOM 22 O SER A 3 -12.592 -20.286 11.065 1.00 0.00 O ATOM 23 CB SER A 3 -11.955 -23.183 10.510 1.00 0.00 C ATOM 24 OG SER A 3 -11.474 -24.359 9.882 1.00 0.00 O ATOM 0 H SER A 3 -10.162 -21.812 11.787 1.00 0.00 H new ATOM 0 HA SER A 3 -10.914 -22.120 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.817 -23.261 11.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.026 -23.084 10.332 1.00 0.00 H new ATOM 0 HG SER A 3 -11.953 -25.138 10.235 1.00 0.00 H new ATOM 30 N GLY A 4 -12.493 -20.234 8.817 1.00 0.00 N ATOM 31 CA GLY A 4 -13.381 -19.091 8.718 1.00 0.00 C ATOM 32 C GLY A 4 -12.708 -17.886 8.090 1.00 0.00 C ATOM 33 O GLY A 4 -12.614 -16.827 8.709 1.00 0.00 O ATOM 0 H GLY A 4 -12.156 -20.593 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.255 -19.364 8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.739 -18.826 9.713 1.00 0.00 H new ATOM 37 N SER A 5 -12.238 -18.049 6.857 1.00 0.00 N ATOM 38 CA SER A 5 -11.565 -16.969 6.147 1.00 0.00 C ATOM 39 C SER A 5 -12.386 -15.684 6.209 1.00 0.00 C ATOM 40 O SER A 5 -11.892 -14.638 6.630 1.00 0.00 O ATOM 41 CB SER A 5 -11.322 -17.362 4.688 1.00 0.00 C ATOM 42 OG SER A 5 -10.261 -18.295 4.582 1.00 0.00 O ATOM 0 H SER A 5 -12.311 -18.919 6.330 1.00 0.00 H new ATOM 0 HA SER A 5 -10.605 -16.791 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.231 -17.791 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.089 -16.473 4.102 1.00 0.00 H new ATOM 0 HG SER A 5 -10.126 -18.532 3.641 1.00 0.00 H new ATOM 48 N SER A 6 -13.643 -15.771 5.787 1.00 0.00 N ATOM 49 CA SER A 6 -14.533 -14.616 5.790 1.00 0.00 C ATOM 50 C SER A 6 -14.105 -13.597 4.738 1.00 0.00 C ATOM 51 O SER A 6 -14.116 -12.392 4.984 1.00 0.00 O ATOM 52 CB SER A 6 -14.548 -13.962 7.173 1.00 0.00 C ATOM 53 OG SER A 6 -15.756 -13.254 7.390 1.00 0.00 O ATOM 0 H SER A 6 -14.069 -16.630 5.438 1.00 0.00 H new ATOM 0 HA SER A 6 -15.538 -14.962 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.428 -14.726 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.702 -13.281 7.266 1.00 0.00 H new ATOM 0 HG SER A 6 -15.741 -12.847 8.281 1.00 0.00 H new ATOM 59 N GLY A 7 -13.729 -14.093 3.562 1.00 0.00 N ATOM 60 CA GLY A 7 -13.302 -13.213 2.490 1.00 0.00 C ATOM 61 C GLY A 7 -12.240 -13.844 1.612 1.00 0.00 C ATOM 62 O GLY A 7 -12.015 -15.054 1.643 1.00 0.00 O ATOM 0 H GLY A 7 -13.713 -15.087 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.164 -12.946 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.914 -12.288 2.916 1.00 0.00 H new ATOM 66 N PRO A 8 -11.566 -13.013 0.802 1.00 0.00 N ATOM 67 CA PRO A 8 -10.511 -13.475 -0.105 1.00 0.00 C ATOM 68 C PRO A 8 -9.258 -13.922 0.641 1.00 0.00 C ATOM 69 O PRO A 8 -9.251 -13.997 1.870 1.00 0.00 O ATOM 70 CB PRO A 8 -10.213 -12.240 -0.960 1.00 0.00 C ATOM 71 CG PRO A 8 -10.613 -11.085 -0.108 1.00 0.00 C ATOM 72 CD PRO A 8 -11.781 -11.560 0.711 1.00 0.00 C ATOM 0 HA PRO A 8 -10.822 -14.346 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.157 -12.188 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.777 -12.258 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.790 -10.769 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.889 -10.226 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.797 -11.094 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.731 -11.324 0.231 1.00 0.00 H new ATOM 80 N ASP A 9 -8.203 -14.218 -0.109 1.00 0.00 N ATOM 81 CA ASP A 9 -6.944 -14.656 0.482 1.00 0.00 C ATOM 82 C ASP A 9 -6.046 -13.463 0.794 1.00 0.00 C ATOM 83 O ASP A 9 -6.227 -12.378 0.243 1.00 0.00 O ATOM 84 CB ASP A 9 -6.222 -15.621 -0.460 1.00 0.00 C ATOM 85 CG ASP A 9 -6.693 -17.053 -0.294 1.00 0.00 C ATOM 86 OD1 ASP A 9 -7.743 -17.403 -0.872 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.012 -17.823 0.415 1.00 0.00 O ATOM 0 H ASP A 9 -8.194 -14.163 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.169 -15.172 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.382 -15.306 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.149 -15.571 -0.275 1.00 0.00 H new ATOM 92 N GLN A 10 -5.079 -13.673 1.682 1.00 0.00 N ATOM 93 CA GLN A 10 -4.154 -12.614 2.068 1.00 0.00 C ATOM 94 C GLN A 10 -3.688 -11.827 0.848 1.00 0.00 C ATOM 95 O GLN A 10 -3.647 -12.354 -0.264 1.00 0.00 O ATOM 96 CB GLN A 10 -2.948 -13.203 2.801 1.00 0.00 C ATOM 97 CG GLN A 10 -1.862 -12.184 3.103 1.00 0.00 C ATOM 98 CD GLN A 10 -0.642 -12.807 3.754 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.683 -13.947 4.215 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.455 -12.059 3.791 1.00 0.00 N ATOM 0 H GLN A 10 -4.916 -14.566 2.147 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.680 -11.933 2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.285 -13.650 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.524 -14.006 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.564 -11.691 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.265 -11.413 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.444 -11.118 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.308 -12.425 4.214 1.00 0.00 H new ATOM 109 N CYS A 11 -3.339 -10.563 1.063 1.00 0.00 N ATOM 110 CA CYS A 11 -2.876 -9.703 -0.019 1.00 0.00 C ATOM 111 C CYS A 11 -1.353 -9.681 -0.084 1.00 0.00 C ATOM 112 O CYS A 11 -0.676 -9.845 0.931 1.00 0.00 O ATOM 113 CB CYS A 11 -3.412 -8.282 0.166 1.00 0.00 C ATOM 114 SG CYS A 11 -5.047 -8.010 -0.555 1.00 0.00 S ATOM 0 H CYS A 11 -3.368 -10.112 1.977 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.255 -10.107 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.455 -8.057 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.709 -7.579 -0.280 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.325 -6.740 -0.534 1.00 0.00 H new ATOM 120 N LYS A 12 -0.819 -9.479 -1.284 1.00 0.00 N ATOM 121 CA LYS A 12 0.625 -9.436 -1.482 1.00 0.00 C ATOM 122 C LYS A 12 1.158 -8.018 -1.297 1.00 0.00 C ATOM 123 O LYS A 12 0.450 -7.032 -1.502 1.00 0.00 O ATOM 124 CB LYS A 12 0.985 -9.948 -2.878 1.00 0.00 C ATOM 125 CG LYS A 12 0.749 -11.438 -3.058 1.00 0.00 C ATOM 126 CD LYS A 12 1.612 -12.008 -4.172 1.00 0.00 C ATOM 127 CE LYS A 12 0.977 -11.787 -5.536 1.00 0.00 C ATOM 128 NZ LYS A 12 -0.238 -12.629 -5.726 1.00 0.00 N ATOM 0 H LYS A 12 -1.365 -9.342 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 12 1.088 -10.080 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.399 -9.404 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.034 -9.728 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.968 -11.957 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.302 -11.616 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.596 -11.540 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.762 -13.075 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.711 -10.736 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.703 -12.016 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.454 -12.703 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.066 -13.579 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.043 -12.194 -5.232 1.00 0.00 H new ATOM 142 N PRO A 13 2.435 -7.912 -0.900 1.00 0.00 N ATOM 143 CA PRO A 13 3.090 -6.619 -0.681 1.00 0.00 C ATOM 144 C PRO A 13 3.329 -5.862 -1.982 1.00 0.00 C ATOM 145 O PRO A 13 3.816 -6.413 -2.969 1.00 0.00 O ATOM 146 CB PRO A 13 4.424 -7.003 -0.034 1.00 0.00 C ATOM 147 CG PRO A 13 4.685 -8.393 -0.501 1.00 0.00 C ATOM 148 CD PRO A 13 3.337 -9.046 -0.637 1.00 0.00 C ATOM 0 HA PRO A 13 2.480 -5.952 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.222 -6.326 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.365 -6.955 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.215 -8.391 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.310 -8.933 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.321 -9.770 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.056 -9.581 0.270 1.00 0.00 H new ATOM 156 N PRO A 14 2.977 -4.568 -1.987 1.00 0.00 N ATOM 157 CA PRO A 14 3.145 -3.706 -3.162 1.00 0.00 C ATOM 158 C PRO A 14 4.612 -3.412 -3.459 1.00 0.00 C ATOM 159 O PRO A 14 5.484 -3.657 -2.627 1.00 0.00 O ATOM 160 CB PRO A 14 2.411 -2.423 -2.769 1.00 0.00 C ATOM 161 CG PRO A 14 2.449 -2.406 -1.279 1.00 0.00 C ATOM 162 CD PRO A 14 2.390 -3.845 -0.847 1.00 0.00 C ATOM 0 HA PRO A 14 2.759 -4.172 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.900 -1.543 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.386 -2.424 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.359 -1.927 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.609 -1.842 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.956 -4.013 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.366 -4.165 -0.653 1.00 0.00 H new ATOM 170 N GLN A 15 4.874 -2.883 -4.651 1.00 0.00 N ATOM 171 CA GLN A 15 6.236 -2.555 -5.056 1.00 0.00 C ATOM 172 C GLN A 15 6.450 -1.045 -5.073 1.00 0.00 C ATOM 173 O GLN A 15 5.903 -0.339 -5.920 1.00 0.00 O ATOM 174 CB GLN A 15 6.533 -3.138 -6.439 1.00 0.00 C ATOM 175 CG GLN A 15 8.001 -3.463 -6.660 1.00 0.00 C ATOM 176 CD GLN A 15 8.282 -3.983 -8.056 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.440 -4.646 -8.663 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.467 -3.684 -8.573 1.00 0.00 N ATOM 0 H GLN A 15 4.163 -2.673 -5.351 1.00 0.00 H new ATOM 0 HA GLN A 15 6.920 -2.993 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.944 -4.045 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.208 -2.429 -7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.598 -2.568 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.318 -4.207 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.134 -3.132 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.711 -4.006 -9.510 1.00 0.00 H new ATOM 187 N VAL A 16 7.249 -0.555 -4.131 1.00 0.00 N ATOM 188 CA VAL A 16 7.537 0.871 -4.038 1.00 0.00 C ATOM 189 C VAL A 16 8.634 1.276 -5.015 1.00 0.00 C ATOM 190 O VAL A 16 9.621 0.560 -5.190 1.00 0.00 O ATOM 191 CB VAL A 16 7.964 1.266 -2.611 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.760 1.287 -1.681 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.031 0.314 -2.092 1.00 0.00 C ATOM 0 H VAL A 16 7.709 -1.125 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 16 6.616 1.396 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 16 8.388 2.270 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.080 1.568 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.031 2.011 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.305 0.297 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.321 0.608 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.635 -0.701 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.902 0.353 -2.746 1.00 0.00 H new ATOM 203 N THR A 17 8.458 2.430 -5.650 1.00 0.00 N ATOM 204 CA THR A 17 9.433 2.932 -6.610 1.00 0.00 C ATOM 205 C THR A 17 9.766 4.395 -6.343 1.00 0.00 C ATOM 206 O THR A 17 9.236 5.292 -6.999 1.00 0.00 O ATOM 207 CB THR A 17 8.921 2.790 -8.056 1.00 0.00 C ATOM 208 OG1 THR A 17 8.796 1.405 -8.397 1.00 0.00 O ATOM 209 CG2 THR A 17 9.864 3.474 -9.034 1.00 0.00 C ATOM 0 H THR A 17 7.648 3.035 -5.517 1.00 0.00 H new ATOM 0 HA THR A 17 10.334 2.330 -6.489 1.00 0.00 H new ATOM 0 HB THR A 17 7.945 3.270 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.468 1.323 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.481 3.360 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.935 4.534 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.852 3.019 -8.966 1.00 0.00 H new ATOM 217 N CYS A 18 10.648 4.629 -5.377 1.00 0.00 N ATOM 218 CA CYS A 18 11.052 5.985 -5.023 1.00 0.00 C ATOM 219 C CYS A 18 11.422 6.784 -6.268 1.00 0.00 C ATOM 220 O CYS A 18 12.522 6.645 -6.803 1.00 0.00 O ATOM 221 CB CYS A 18 12.235 5.950 -4.054 1.00 0.00 C ATOM 222 SG CYS A 18 13.669 5.036 -4.672 1.00 0.00 S ATOM 0 H CYS A 18 11.097 3.898 -4.825 1.00 0.00 H new ATOM 0 HA CYS A 18 10.208 6.474 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.538 6.973 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 18 11.909 5.502 -3.115 1.00 0.00 H new ATOM 0 HG CYS A 18 13.863 5.328 -5.924 1.00 0.00 H new ATOM 228 N ARG A 19 10.496 7.620 -6.725 1.00 0.00 N ATOM 229 CA ARG A 19 10.723 8.440 -7.910 1.00 0.00 C ATOM 230 C ARG A 19 11.714 9.561 -7.612 1.00 0.00 C ATOM 231 O ARG A 19 12.536 9.917 -8.458 1.00 0.00 O ATOM 232 CB ARG A 19 9.403 9.031 -8.408 1.00 0.00 C ATOM 233 CG ARG A 19 8.628 8.101 -9.327 1.00 0.00 C ATOM 234 CD ARG A 19 7.854 8.877 -10.382 1.00 0.00 C ATOM 235 NE ARG A 19 8.632 9.063 -11.604 1.00 0.00 N ATOM 236 CZ ARG A 19 8.398 10.030 -12.484 1.00 0.00 C ATOM 237 NH1 ARG A 19 7.416 10.897 -12.276 1.00 0.00 N ATOM 238 NH2 ARG A 19 9.150 10.135 -13.572 1.00 0.00 N ATOM 0 H ARG A 19 9.581 7.748 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 19 11.144 7.803 -8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.780 9.282 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.608 9.962 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.317 7.411 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.937 7.498 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.931 8.348 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.570 9.850 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 19 9.397 8.415 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.838 10.822 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.238 11.639 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.909 9.473 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.969 10.878 -14.247 1.00 0.00 H new ATOM 252 N SER A 20 11.632 10.113 -6.407 1.00 0.00 N ATOM 253 CA SER A 20 12.519 11.196 -5.999 1.00 0.00 C ATOM 254 C SER A 20 12.626 11.268 -4.479 1.00 0.00 C ATOM 255 O SER A 20 12.024 10.467 -3.765 1.00 0.00 O ATOM 256 CB SER A 20 12.014 12.532 -6.550 1.00 0.00 C ATOM 257 OG SER A 20 12.564 12.797 -7.829 1.00 0.00 O ATOM 0 H SER A 20 10.960 9.828 -5.695 1.00 0.00 H new ATOM 0 HA SER A 20 13.510 10.994 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.926 12.514 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.279 13.336 -5.863 1.00 0.00 H new ATOM 0 HG SER A 20 12.667 11.956 -8.322 1.00 0.00 H new ATOM 263 N ALA A 21 13.398 12.235 -3.992 1.00 0.00 N ATOM 264 CA ALA A 21 13.584 12.413 -2.557 1.00 0.00 C ATOM 265 C ALA A 21 12.245 12.593 -1.849 1.00 0.00 C ATOM 266 O ALA A 21 12.031 12.061 -0.760 1.00 0.00 O ATOM 267 CB ALA A 21 14.491 13.604 -2.287 1.00 0.00 C ATOM 0 H ALA A 21 13.904 12.906 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 21 14.056 11.514 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.621 13.726 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.462 13.435 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.041 14.506 -2.702 1.00 0.00 H new ATOM 273 N THR A 22 11.347 13.350 -2.473 1.00 0.00 N ATOM 274 CA THR A 22 10.031 13.602 -1.901 1.00 0.00 C ATOM 275 C THR A 22 8.931 13.007 -2.771 1.00 0.00 C ATOM 276 O THR A 22 7.814 13.524 -2.816 1.00 0.00 O ATOM 277 CB THR A 22 9.774 15.111 -1.728 1.00 0.00 C ATOM 278 OG1 THR A 22 9.781 15.759 -3.005 1.00 0.00 O ATOM 279 CG2 THR A 22 10.827 15.740 -0.829 1.00 0.00 C ATOM 0 H THR A 22 11.508 13.799 -3.375 1.00 0.00 H new ATOM 0 HA THR A 22 10.014 13.123 -0.922 1.00 0.00 H new ATOM 0 HB THR A 22 8.797 15.239 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.615 16.718 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.624 16.806 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.799 15.265 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.813 15.601 -1.272 1.00 0.00 H new ATOM 287 N CYS A 23 9.252 11.918 -3.462 1.00 0.00 N ATOM 288 CA CYS A 23 8.289 11.252 -4.332 1.00 0.00 C ATOM 289 C CYS A 23 8.423 9.737 -4.231 1.00 0.00 C ATOM 290 O CYS A 23 9.526 9.209 -4.088 1.00 0.00 O ATOM 291 CB CYS A 23 8.487 11.699 -5.781 1.00 0.00 C ATOM 292 SG CYS A 23 8.553 13.493 -5.999 1.00 0.00 S ATOM 0 H CYS A 23 10.172 11.478 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 23 7.287 11.532 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.411 11.264 -6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.674 11.300 -6.387 1.00 0.00 H new ATOM 0 HG CYS A 23 8.725 13.771 -7.257 1.00 0.00 H new ATOM 298 N ALA A 24 7.293 9.041 -4.305 1.00 0.00 N ATOM 299 CA ALA A 24 7.284 7.587 -4.223 1.00 0.00 C ATOM 300 C ALA A 24 6.017 7.009 -4.845 1.00 0.00 C ATOM 301 O ALA A 24 4.917 7.508 -4.609 1.00 0.00 O ATOM 302 CB ALA A 24 7.415 7.140 -2.775 1.00 0.00 C ATOM 0 H ALA A 24 6.371 9.462 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 24 8.138 7.211 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.407 6.051 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.352 7.514 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.580 7.534 -2.196 1.00 0.00 H new ATOM 308 N GLN A 25 6.180 5.955 -5.638 1.00 0.00 N ATOM 309 CA GLN A 25 5.047 5.313 -6.294 1.00 0.00 C ATOM 310 C GLN A 25 4.840 3.898 -5.760 1.00 0.00 C ATOM 311 O GLN A 25 5.802 3.169 -5.516 1.00 0.00 O ATOM 312 CB GLN A 25 5.263 5.272 -7.808 1.00 0.00 C ATOM 313 CG GLN A 25 4.041 4.810 -8.584 1.00 0.00 C ATOM 314 CD GLN A 25 3.077 5.941 -8.884 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.490 7.050 -9.224 1.00 0.00 O ATOM 316 NE2 GLN A 25 1.784 5.667 -8.759 1.00 0.00 N ATOM 0 H GLN A 25 7.084 5.528 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 25 4.154 5.899 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.548 6.266 -8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.097 4.606 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.361 4.353 -9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.524 4.039 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.486 4.734 -8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.089 6.389 -8.947 1.00 0.00 H new ATOM 325 N VAL A 26 3.580 3.518 -5.581 1.00 0.00 N ATOM 326 CA VAL A 26 3.246 2.190 -5.076 1.00 0.00 C ATOM 327 C VAL A 26 2.448 1.397 -6.104 1.00 0.00 C ATOM 328 O VAL A 26 1.671 1.963 -6.873 1.00 0.00 O ATOM 329 CB VAL A 26 2.439 2.275 -3.768 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.352 0.908 -3.105 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.058 3.295 -2.824 1.00 0.00 C ATOM 0 H VAL A 26 2.773 4.110 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 26 4.188 1.678 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 26 1.427 2.603 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.778 0.987 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.860 0.207 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.356 0.549 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.474 3.341 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.081 3.000 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.063 4.275 -3.300 1.00 0.00 H new ATOM 341 N ASN A 27 2.643 0.082 -6.110 1.00 0.00 N ATOM 342 CA ASN A 27 1.940 -0.790 -7.043 1.00 0.00 C ATOM 343 C ASN A 27 1.539 -2.099 -6.369 1.00 0.00 C ATOM 344 O ASN A 27 2.359 -2.754 -5.727 1.00 0.00 O ATOM 345 CB ASN A 27 2.818 -1.081 -8.262 1.00 0.00 C ATOM 346 CG ASN A 27 2.754 0.026 -9.297 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.931 -0.011 -10.212 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.627 1.018 -9.157 1.00 0.00 N ATOM 0 H ASN A 27 3.282 -0.402 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 27 1.035 -0.277 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.851 -1.214 -7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.503 -2.020 -8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.633 1.790 -9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.291 1.007 -8.383 1.00 0.00 H new ATOM 355 N TRP A 28 0.272 -2.471 -6.519 1.00 0.00 N ATOM 356 CA TRP A 28 -0.237 -3.701 -5.924 1.00 0.00 C ATOM 357 C TRP A 28 -1.129 -4.452 -6.907 1.00 0.00 C ATOM 358 O TRP A 28 -1.328 -4.011 -8.039 1.00 0.00 O ATOM 359 CB TRP A 28 -1.016 -3.389 -4.645 1.00 0.00 C ATOM 360 CG TRP A 28 -2.263 -2.594 -4.889 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.472 -3.073 -5.306 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.422 -1.180 -4.730 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.373 -2.041 -5.417 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.754 -0.870 -5.068 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.571 -0.146 -4.332 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.251 0.430 -5.023 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.065 1.144 -4.288 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.394 1.423 -4.631 1.00 0.00 C ATOM 0 H TRP A 28 -0.420 -1.939 -7.047 1.00 0.00 H new ATOM 0 HA TRP A 28 0.614 -4.335 -5.677 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.280 -4.324 -4.152 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.371 -2.839 -3.960 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.688 -4.110 -5.517 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.345 -2.132 -5.712 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.545 -0.351 -4.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.275 0.647 -5.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.415 1.951 -3.984 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.750 2.442 -4.585 1.00 0.00 H new ATOM 379 N GLU A 29 -1.665 -5.586 -6.467 1.00 0.00 N ATOM 380 CA GLU A 29 -2.535 -6.397 -7.309 1.00 0.00 C ATOM 381 C GLU A 29 -3.583 -7.123 -6.471 1.00 0.00 C ATOM 382 O GLU A 29 -3.541 -7.090 -5.241 1.00 0.00 O ATOM 383 CB GLU A 29 -1.711 -7.412 -8.106 1.00 0.00 C ATOM 384 CG GLU A 29 -0.780 -6.775 -9.125 1.00 0.00 C ATOM 385 CD GLU A 29 -1.494 -6.391 -10.405 1.00 0.00 C ATOM 386 OE1 GLU A 29 -2.374 -5.506 -10.353 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.171 -6.974 -11.461 1.00 0.00 O ATOM 0 H GLU A 29 -1.512 -5.964 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.048 -5.731 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.121 -8.013 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.389 -8.093 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.322 -5.888 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.028 -7.469 -9.358 1.00 0.00 H new ATOM 394 N VAL A 30 -4.523 -7.777 -7.145 1.00 0.00 N ATOM 395 CA VAL A 30 -5.582 -8.511 -6.464 1.00 0.00 C ATOM 396 C VAL A 30 -5.251 -9.997 -6.374 1.00 0.00 C ATOM 397 O VAL A 30 -4.783 -10.613 -7.331 1.00 0.00 O ATOM 398 CB VAL A 30 -6.935 -8.340 -7.180 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.052 -8.979 -6.370 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.221 -6.868 -7.432 1.00 0.00 C ATOM 0 H VAL A 30 -4.573 -7.813 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.657 -8.097 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.884 -8.846 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.000 -8.848 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.849 -10.043 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.108 -8.505 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.181 -6.765 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.254 -6.336 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.434 -6.446 -8.057 1.00 0.00 H new ATOM 410 N PRO A 31 -5.500 -10.589 -5.196 1.00 0.00 N ATOM 411 CA PRO A 31 -5.237 -12.010 -4.953 1.00 0.00 C ATOM 412 C PRO A 31 -6.192 -12.916 -5.721 1.00 0.00 C ATOM 413 O PRO A 31 -6.860 -12.478 -6.660 1.00 0.00 O ATOM 414 CB PRO A 31 -5.455 -12.159 -3.445 1.00 0.00 C ATOM 415 CG PRO A 31 -6.389 -11.055 -3.087 1.00 0.00 C ATOM 416 CD PRO A 31 -6.058 -9.916 -4.011 1.00 0.00 C ATOM 0 HA PRO A 31 -4.240 -12.302 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.880 -13.132 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.515 -12.076 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.426 -11.367 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.264 -10.761 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.943 -9.331 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.339 -9.231 -3.562 1.00 0.00 H new ATOM 424 N LEU A 32 -6.255 -14.180 -5.317 1.00 0.00 N ATOM 425 CA LEU A 32 -7.130 -15.149 -5.968 1.00 0.00 C ATOM 426 C LEU A 32 -8.433 -15.313 -5.192 1.00 0.00 C ATOM 427 O LEU A 32 -8.442 -15.841 -4.080 1.00 0.00 O ATOM 428 CB LEU A 32 -6.425 -16.500 -6.093 1.00 0.00 C ATOM 429 CG LEU A 32 -7.291 -17.668 -6.563 1.00 0.00 C ATOM 430 CD1 LEU A 32 -7.569 -17.562 -8.054 1.00 0.00 C ATOM 431 CD2 LEU A 32 -6.620 -18.995 -6.237 1.00 0.00 C ATOM 0 H LEU A 32 -5.711 -14.558 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.366 -14.776 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.592 -16.389 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.000 -16.756 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.243 -17.625 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.187 -18.403 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.093 -16.629 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.627 -17.579 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.251 -19.815 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.654 -19.047 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.474 -19.074 -5.160 1.00 0.00 H new ATOM 443 N SER A 33 -9.531 -14.858 -5.786 1.00 0.00 N ATOM 444 CA SER A 33 -10.840 -14.953 -5.150 1.00 0.00 C ATOM 445 C SER A 33 -11.936 -15.163 -6.190 1.00 0.00 C ATOM 446 O SER A 33 -11.862 -14.638 -7.300 1.00 0.00 O ATOM 447 CB SER A 33 -11.129 -13.690 -4.336 1.00 0.00 C ATOM 448 OG SER A 33 -11.491 -12.611 -5.181 1.00 0.00 O ATOM 0 H SER A 33 -9.541 -14.420 -6.707 1.00 0.00 H new ATOM 0 HA SER A 33 -10.829 -15.813 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.933 -13.887 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.249 -13.420 -3.753 1.00 0.00 H new ATOM 0 HG SER A 33 -12.375 -12.276 -4.924 1.00 0.00 H new ATOM 454 N ASN A 34 -12.954 -15.935 -5.822 1.00 0.00 N ATOM 455 CA ASN A 34 -14.066 -16.215 -6.721 1.00 0.00 C ATOM 456 C ASN A 34 -15.392 -15.793 -6.097 1.00 0.00 C ATOM 457 O ASN A 34 -16.144 -15.012 -6.679 1.00 0.00 O ATOM 458 CB ASN A 34 -14.105 -17.705 -7.069 1.00 0.00 C ATOM 459 CG ASN A 34 -12.719 -18.310 -7.177 1.00 0.00 C ATOM 460 OD1 ASN A 34 -12.424 -19.330 -6.553 1.00 0.00 O ATOM 461 ND2 ASN A 34 -11.859 -17.682 -7.971 1.00 0.00 N ATOM 0 H ASN A 34 -13.031 -16.378 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.915 -15.638 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.673 -18.239 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.632 -17.841 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.911 -18.042 -8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.146 -16.840 -8.469 1.00 0.00 H new ATOM 468 N GLY A 35 -15.671 -16.312 -4.906 1.00 0.00 N ATOM 469 CA GLY A 35 -16.906 -15.978 -4.222 1.00 0.00 C ATOM 470 C GLY A 35 -17.024 -14.495 -3.932 1.00 0.00 C ATOM 471 O GLY A 35 -17.814 -13.791 -4.563 1.00 0.00 O ATOM 0 H GLY A 35 -15.064 -16.958 -4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.753 -16.295 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.961 -16.534 -3.286 1.00 0.00 H new ATOM 475 N THR A 36 -16.238 -14.016 -2.972 1.00 0.00 N ATOM 476 CA THR A 36 -16.260 -12.608 -2.598 1.00 0.00 C ATOM 477 C THR A 36 -15.389 -11.776 -3.534 1.00 0.00 C ATOM 478 O THR A 36 -14.262 -12.157 -3.850 1.00 0.00 O ATOM 479 CB THR A 36 -15.777 -12.403 -1.149 1.00 0.00 C ATOM 480 OG1 THR A 36 -14.699 -13.301 -0.862 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.911 -12.633 -0.163 1.00 0.00 C ATOM 0 H THR A 36 -15.578 -14.583 -2.440 1.00 0.00 H new ATOM 0 HA THR A 36 -17.295 -12.277 -2.679 1.00 0.00 H new ATOM 0 HB THR A 36 -15.431 -11.375 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.099 -13.350 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.546 -12.483 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.718 -11.929 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.283 -13.652 -0.268 1.00 0.00 H new ATOM 489 N ASP A 37 -15.918 -10.640 -3.972 1.00 0.00 N ATOM 490 CA ASP A 37 -15.188 -9.753 -4.871 1.00 0.00 C ATOM 491 C ASP A 37 -14.671 -8.527 -4.123 1.00 0.00 C ATOM 492 O ASP A 37 -15.427 -7.842 -3.436 1.00 0.00 O ATOM 493 CB ASP A 37 -16.083 -9.318 -6.031 1.00 0.00 C ATOM 494 CG ASP A 37 -16.024 -10.281 -7.201 1.00 0.00 C ATOM 495 OD1 ASP A 37 -15.157 -10.092 -8.080 1.00 0.00 O ATOM 496 OD2 ASP A 37 -16.844 -11.221 -7.238 1.00 0.00 O ATOM 0 H ASP A 37 -16.850 -10.311 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.334 -10.301 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.112 -9.238 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.782 -8.325 -6.366 1.00 0.00 H new ATOM 501 N VAL A 38 -13.377 -8.258 -4.263 1.00 0.00 N ATOM 502 CA VAL A 38 -12.758 -7.115 -3.601 1.00 0.00 C ATOM 503 C VAL A 38 -13.499 -5.824 -3.929 1.00 0.00 C ATOM 504 O VAL A 38 -13.461 -5.343 -5.062 1.00 0.00 O ATOM 505 CB VAL A 38 -11.280 -6.964 -4.007 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.621 -5.846 -3.214 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.538 -8.277 -3.814 1.00 0.00 C ATOM 0 H VAL A 38 -12.737 -8.816 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.815 -7.301 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.236 -6.701 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.577 -5.754 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.139 -4.907 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.674 -6.075 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.495 -8.152 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.589 -8.573 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.997 -9.049 -4.432 1.00 0.00 H new ATOM 517 N THR A 39 -14.174 -5.265 -2.929 1.00 0.00 N ATOM 518 CA THR A 39 -14.924 -4.029 -3.110 1.00 0.00 C ATOM 519 C THR A 39 -13.990 -2.846 -3.339 1.00 0.00 C ATOM 520 O THR A 39 -14.025 -2.212 -4.393 1.00 0.00 O ATOM 521 CB THR A 39 -15.820 -3.732 -1.892 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.089 -3.951 -0.681 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.061 -4.611 -1.906 1.00 0.00 C ATOM 0 H THR A 39 -14.216 -5.649 -1.985 1.00 0.00 H new ATOM 0 HA THR A 39 -15.552 -4.168 -3.990 1.00 0.00 H new ATOM 0 HB THR A 39 -16.132 -2.689 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.794 -4.885 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.678 -4.383 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.631 -4.421 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.765 -5.659 -1.876 1.00 0.00 H new ATOM 531 N GLU A 40 -13.155 -2.557 -2.346 1.00 0.00 N ATOM 532 CA GLU A 40 -12.211 -1.449 -2.442 1.00 0.00 C ATOM 533 C GLU A 40 -10.881 -1.810 -1.785 1.00 0.00 C ATOM 534 O GLU A 40 -10.760 -2.847 -1.134 1.00 0.00 O ATOM 535 CB GLU A 40 -12.793 -0.196 -1.784 1.00 0.00 C ATOM 536 CG GLU A 40 -12.560 -0.133 -0.283 1.00 0.00 C ATOM 537 CD GLU A 40 -13.617 0.682 0.437 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.715 0.863 -0.129 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.346 1.138 1.568 1.00 0.00 O ATOM 0 H GLU A 40 -13.113 -3.073 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.033 -1.247 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.353 0.686 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.865 -0.158 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.548 -1.145 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.578 0.299 -0.089 1.00 0.00 H new ATOM 546 N TYR A 41 -9.887 -0.948 -1.964 1.00 0.00 N ATOM 547 CA TYR A 41 -8.565 -1.176 -1.395 1.00 0.00 C ATOM 548 C TYR A 41 -8.145 -0.007 -0.508 1.00 0.00 C ATOM 549 O TYR A 41 -8.038 1.129 -0.969 1.00 0.00 O ATOM 550 CB TYR A 41 -7.536 -1.383 -2.506 1.00 0.00 C ATOM 551 CG TYR A 41 -7.972 -2.377 -3.558 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.005 -2.078 -4.438 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.353 -3.615 -3.671 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.408 -2.984 -5.400 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.748 -4.527 -4.632 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.775 -4.207 -5.494 1.00 0.00 C ATOM 557 OH TYR A 41 -9.173 -5.112 -6.451 1.00 0.00 O ATOM 0 H TYR A 41 -9.972 -0.084 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.612 -2.076 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.334 -0.425 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.599 -1.722 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.501 -1.121 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.549 -3.870 -2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.214 -2.737 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.255 -5.485 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.916 -4.784 -7.338 1.00 0.00 H new ATOM 567 N ARG A 42 -7.907 -0.296 0.768 1.00 0.00 N ATOM 568 CA ARG A 42 -7.500 0.729 1.721 1.00 0.00 C ATOM 569 C ARG A 42 -5.999 0.662 1.981 1.00 0.00 C ATOM 570 O ARG A 42 -5.509 -0.271 2.619 1.00 0.00 O ATOM 571 CB ARG A 42 -8.265 0.567 3.035 1.00 0.00 C ATOM 572 CG ARG A 42 -9.573 1.340 3.078 1.00 0.00 C ATOM 573 CD ARG A 42 -10.297 1.138 4.400 1.00 0.00 C ATOM 574 NE ARG A 42 -11.531 1.915 4.472 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.228 2.083 5.591 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.815 1.532 6.724 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.343 2.804 5.577 1.00 0.00 N ATOM 0 H ARG A 42 -7.989 -1.232 1.165 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.734 1.703 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.473 -0.491 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.631 0.897 3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.375 2.401 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.214 1.018 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.526 0.080 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.640 1.425 5.221 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.877 2.352 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.959 0.977 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.353 1.663 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.665 3.229 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.878 2.933 6.436 1.00 0.00 H new ATOM 591 N LEU A 43 -5.272 1.657 1.484 1.00 0.00 N ATOM 592 CA LEU A 43 -3.825 1.711 1.664 1.00 0.00 C ATOM 593 C LEU A 43 -3.456 2.582 2.860 1.00 0.00 C ATOM 594 O LEU A 43 -4.093 3.604 3.116 1.00 0.00 O ATOM 595 CB LEU A 43 -3.155 2.253 0.399 1.00 0.00 C ATOM 596 CG LEU A 43 -1.630 2.345 0.435 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.014 0.963 0.591 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.106 3.026 -0.822 1.00 0.00 C ATOM 0 H LEU A 43 -5.660 2.437 0.954 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.469 0.698 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.441 1.619 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.554 3.247 0.198 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.343 2.947 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.072 1.049 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.362 0.512 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.310 0.336 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.018 3.083 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.405 2.451 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.519 4.032 -0.890 1.00 0.00 H new ATOM 610 N GLU A 44 -2.423 2.171 3.589 1.00 0.00 N ATOM 611 CA GLU A 44 -1.971 2.914 4.758 1.00 0.00 C ATOM 612 C GLU A 44 -0.498 3.292 4.626 1.00 0.00 C ATOM 613 O GLU A 44 0.382 2.432 4.683 1.00 0.00 O ATOM 614 CB GLU A 44 -2.184 2.090 6.029 1.00 0.00 C ATOM 615 CG GLU A 44 -3.643 1.970 6.439 1.00 0.00 C ATOM 616 CD GLU A 44 -3.815 1.781 7.934 1.00 0.00 C ATOM 617 OE1 GLU A 44 -2.877 2.118 8.686 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.887 1.295 8.351 1.00 0.00 O ATOM 0 H GLU A 44 -1.884 1.328 3.390 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.560 3.829 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.775 1.091 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.622 2.544 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.179 2.866 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.096 1.128 5.916 1.00 0.00 H new ATOM 625 N TRP A 45 -0.238 4.582 4.449 1.00 0.00 N ATOM 626 CA TRP A 45 1.128 5.074 4.307 1.00 0.00 C ATOM 627 C TRP A 45 1.429 6.151 5.343 1.00 0.00 C ATOM 628 O TRP A 45 0.720 7.152 5.436 1.00 0.00 O ATOM 629 CB TRP A 45 1.349 5.628 2.898 1.00 0.00 C ATOM 630 CG TRP A 45 2.721 6.194 2.691 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.287 7.240 3.363 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.699 5.745 1.746 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.558 7.469 2.893 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.835 6.565 1.902 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.728 4.730 0.787 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.983 6.400 1.132 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.869 4.568 0.023 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.983 5.398 0.200 1.00 0.00 C ATOM 0 H TRP A 45 -0.954 5.306 4.400 1.00 0.00 H new ATOM 0 HA TRP A 45 1.808 4.238 4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.178 4.833 2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.610 6.404 2.700 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.806 7.804 4.148 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.192 8.194 3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.875 4.083 0.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.843 7.040 1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.902 3.788 -0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.860 5.244 -0.411 1.00 0.00 H new ATOM 649 N GLY A 46 2.487 5.940 6.121 1.00 0.00 N ATOM 650 CA GLY A 46 2.862 6.901 7.140 1.00 0.00 C ATOM 651 C GLY A 46 4.358 6.937 7.381 1.00 0.00 C ATOM 652 O GLY A 46 5.106 6.155 6.797 1.00 0.00 O ATOM 0 H GLY A 46 3.091 5.120 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.521 7.893 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.353 6.655 8.072 1.00 0.00 H new ATOM 656 N GLY A 47 4.796 7.851 8.242 1.00 0.00 N ATOM 657 CA GLY A 47 6.211 7.970 8.542 1.00 0.00 C ATOM 658 C GLY A 47 6.811 6.667 9.034 1.00 0.00 C ATOM 659 O GLY A 47 7.702 6.106 8.397 1.00 0.00 O ATOM 0 H GLY A 47 4.196 8.511 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.743 8.297 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.355 8.741 9.298 1.00 0.00 H new ATOM 663 N VAL A 48 6.323 6.187 10.173 1.00 0.00 N ATOM 664 CA VAL A 48 6.817 4.942 10.751 1.00 0.00 C ATOM 665 C VAL A 48 5.709 3.899 10.839 1.00 0.00 C ATOM 666 O VAL A 48 4.526 4.227 10.755 1.00 0.00 O ATOM 667 CB VAL A 48 7.403 5.171 12.157 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.296 5.204 13.199 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.427 4.095 12.488 1.00 0.00 C ATOM 0 H VAL A 48 5.587 6.640 10.714 1.00 0.00 H new ATOM 0 HA VAL A 48 7.604 4.577 10.091 1.00 0.00 H new ATOM 0 HB VAL A 48 7.908 6.137 12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.730 5.367 14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.604 6.014 12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.760 4.255 13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.831 4.272 13.485 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.949 3.116 12.459 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.236 4.125 11.758 1.00 0.00 H new ATOM 679 N GLU A 49 6.101 2.640 11.009 1.00 0.00 N ATOM 680 CA GLU A 49 5.140 1.548 11.107 1.00 0.00 C ATOM 681 C GLU A 49 4.129 1.811 12.220 1.00 0.00 C ATOM 682 O GLU A 49 2.937 1.555 12.062 1.00 0.00 O ATOM 683 CB GLU A 49 5.863 0.224 11.363 1.00 0.00 C ATOM 684 CG GLU A 49 6.776 0.254 12.577 1.00 0.00 C ATOM 685 CD GLU A 49 7.344 -1.110 12.915 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.582 -2.100 12.861 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.549 -1.191 13.233 1.00 0.00 O ATOM 0 H GLU A 49 7.077 2.351 11.082 1.00 0.00 H new ATOM 0 HA GLU A 49 4.604 1.484 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.123 -0.565 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.451 -0.035 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.595 0.949 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.221 0.635 13.435 1.00 0.00 H new ATOM 694 N GLY A 50 4.617 2.325 13.345 1.00 0.00 N ATOM 695 CA GLY A 50 3.744 2.613 14.468 1.00 0.00 C ATOM 696 C GLY A 50 2.790 3.756 14.182 1.00 0.00 C ATOM 697 O GLY A 50 1.873 4.018 14.959 1.00 0.00 O ATOM 0 H GLY A 50 5.601 2.547 13.499 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.171 1.720 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.349 2.858 15.341 1.00 0.00 H new ATOM 701 N SER A 51 3.008 4.440 13.062 1.00 0.00 N ATOM 702 CA SER A 51 2.163 5.565 12.678 1.00 0.00 C ATOM 703 C SER A 51 1.770 5.472 11.206 1.00 0.00 C ATOM 704 O SER A 51 2.571 5.765 10.319 1.00 0.00 O ATOM 705 CB SER A 51 2.887 6.887 12.941 1.00 0.00 C ATOM 706 OG SER A 51 2.178 7.978 12.380 1.00 0.00 O ATOM 0 H SER A 51 3.762 4.235 12.406 1.00 0.00 H new ATOM 0 HA SER A 51 1.256 5.529 13.282 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.999 7.036 14.015 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.891 6.846 12.518 1.00 0.00 H new ATOM 0 HG SER A 51 2.661 8.811 12.563 1.00 0.00 H new ATOM 712 N MET A 52 0.532 5.059 10.956 1.00 0.00 N ATOM 713 CA MET A 52 0.031 4.928 9.593 1.00 0.00 C ATOM 714 C MET A 52 -1.478 5.142 9.545 1.00 0.00 C ATOM 715 O MET A 52 -2.190 4.819 10.495 1.00 0.00 O ATOM 716 CB MET A 52 0.382 3.550 9.029 1.00 0.00 C ATOM 717 CG MET A 52 1.877 3.316 8.879 1.00 0.00 C ATOM 718 SD MET A 52 2.284 1.584 8.588 1.00 0.00 S ATOM 719 CE MET A 52 1.776 1.398 6.880 1.00 0.00 C ATOM 0 H MET A 52 -0.143 4.809 11.679 1.00 0.00 H new ATOM 0 HA MET A 52 0.507 5.695 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.034 2.783 9.682 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.095 3.433 8.056 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.254 3.917 8.052 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.386 3.658 9.780 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.184 0.471 6.478 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.688 1.369 6.825 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.147 2.241 6.296 1.00 0.00 H new ATOM 729 N GLN A 53 -1.960 5.687 8.432 1.00 0.00 N ATOM 730 CA GLN A 53 -3.385 5.943 8.262 1.00 0.00 C ATOM 731 C GLN A 53 -3.793 5.801 6.799 1.00 0.00 C ATOM 732 O GLN A 53 -2.942 5.717 5.913 1.00 0.00 O ATOM 733 CB GLN A 53 -3.736 7.343 8.769 1.00 0.00 C ATOM 734 CG GLN A 53 -3.705 7.467 10.284 1.00 0.00 C ATOM 735 CD GLN A 53 -4.892 6.798 10.948 1.00 0.00 C ATOM 736 OE1 GLN A 53 -5.799 6.307 10.277 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.890 6.774 12.277 1.00 0.00 N ATOM 0 H GLN A 53 -1.384 5.959 7.635 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.934 5.204 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.038 8.061 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.730 7.611 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.784 7.023 10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.687 8.522 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.117 7.194 12.793 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.662 6.336 12.780 1.00 0.00 H new ATOM 746 N ILE A 54 -5.098 5.775 6.555 1.00 0.00 N ATOM 747 CA ILE A 54 -5.618 5.644 5.199 1.00 0.00 C ATOM 748 C ILE A 54 -5.137 6.788 4.312 1.00 0.00 C ATOM 749 O ILE A 54 -5.601 7.922 4.439 1.00 0.00 O ATOM 750 CB ILE A 54 -7.158 5.613 5.188 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.675 4.525 6.129 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.673 5.387 3.774 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.386 3.121 5.646 1.00 0.00 C ATOM 0 H ILE A 54 -5.815 5.843 7.277 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.240 4.700 4.806 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.528 6.576 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.225 4.662 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.751 4.644 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.763 5.368 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.330 6.195 3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.296 4.436 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.781 2.401 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.859 2.965 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.309 2.984 5.550 1.00 0.00 H new ATOM 765 N CYS A 55 -4.206 6.483 3.416 1.00 0.00 N ATOM 766 CA CYS A 55 -3.661 7.485 2.507 1.00 0.00 C ATOM 767 C CYS A 55 -4.500 7.579 1.237 1.00 0.00 C ATOM 768 O CYS A 55 -4.730 8.669 0.711 1.00 0.00 O ATOM 769 CB CYS A 55 -2.213 7.148 2.153 1.00 0.00 C ATOM 770 SG CYS A 55 -1.997 5.525 1.386 1.00 0.00 S ATOM 0 H CYS A 55 -3.812 5.549 3.299 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.688 8.451 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.829 7.911 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.609 7.193 3.059 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.789 4.633 2.309 1.00 0.00 H new ATOM 776 N TYR A 56 -4.952 6.431 0.747 1.00 0.00 N ATOM 777 CA TYR A 56 -5.761 6.382 -0.465 1.00 0.00 C ATOM 778 C TYR A 56 -6.874 5.345 -0.337 1.00 0.00 C ATOM 779 O TYR A 56 -6.686 4.289 0.270 1.00 0.00 O ATOM 780 CB TYR A 56 -4.886 6.060 -1.677 1.00 0.00 C ATOM 781 CG TYR A 56 -5.671 5.635 -2.897 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.164 6.576 -3.792 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.924 4.293 -3.153 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.882 6.193 -4.908 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.640 3.901 -4.267 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.118 4.855 -5.142 1.00 0.00 C ATOM 787 OH TYR A 56 -7.834 4.468 -6.251 1.00 0.00 O ATOM 0 H TYR A 56 -4.772 5.521 1.171 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.217 7.362 -0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.290 6.938 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.188 5.266 -1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.983 7.625 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.554 3.543 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.257 6.938 -5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.825 2.853 -4.452 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.695 5.116 -6.973 1.00 0.00 H new ATOM 797 N CYS A 57 -8.030 5.654 -0.913 1.00 0.00 N ATOM 798 CA CYS A 57 -9.173 4.749 -0.865 1.00 0.00 C ATOM 799 C CYS A 57 -9.858 4.663 -2.225 1.00 0.00 C ATOM 800 O CYS A 57 -10.126 5.681 -2.862 1.00 0.00 O ATOM 801 CB CYS A 57 -10.174 5.214 0.195 1.00 0.00 C ATOM 802 SG CYS A 57 -11.395 6.400 -0.414 1.00 0.00 S ATOM 0 H CYS A 57 -8.201 6.523 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.808 3.757 -0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.696 4.344 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.627 5.665 1.023 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.239 6.564 -1.694 1.00 0.00 H new ATOM 808 N GLY A 58 -10.136 3.440 -2.665 1.00 0.00 N ATOM 809 CA GLY A 58 -10.786 3.245 -3.949 1.00 0.00 C ATOM 810 C GLY A 58 -10.399 1.931 -4.599 1.00 0.00 C ATOM 811 O GLY A 58 -9.457 1.258 -4.178 1.00 0.00 O ATOM 0 H GLY A 58 -9.923 2.582 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.867 3.276 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.524 4.068 -4.614 1.00 0.00 H new ATOM 815 N PRO A 59 -11.139 1.546 -5.650 1.00 0.00 N ATOM 816 CA PRO A 59 -10.888 0.300 -6.382 1.00 0.00 C ATOM 817 C PRO A 59 -9.594 0.352 -7.187 1.00 0.00 C ATOM 818 O PRO A 59 -9.126 -0.668 -7.691 1.00 0.00 O ATOM 819 CB PRO A 59 -12.095 0.189 -7.316 1.00 0.00 C ATOM 820 CG PRO A 59 -12.561 1.592 -7.502 1.00 0.00 C ATOM 821 CD PRO A 59 -12.277 2.299 -6.206 1.00 0.00 C ATOM 0 HA PRO A 59 -10.771 -0.551 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.819 -0.266 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.877 -0.433 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.038 2.070 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.625 1.622 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.025 3.347 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.138 2.277 -5.539 1.00 0.00 H new ATOM 829 N GLY A 60 -9.020 1.545 -7.301 1.00 0.00 N ATOM 830 CA GLY A 60 -7.784 1.707 -8.045 1.00 0.00 C ATOM 831 C GLY A 60 -6.749 0.661 -7.683 1.00 0.00 C ATOM 832 O GLY A 60 -6.931 -0.101 -6.732 1.00 0.00 O ATOM 0 H GLY A 60 -9.389 2.403 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.996 1.650 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.376 2.699 -7.854 1.00 0.00 H new ATOM 836 N LEU A 61 -5.660 0.621 -8.443 1.00 0.00 N ATOM 837 CA LEU A 61 -4.591 -0.341 -8.198 1.00 0.00 C ATOM 838 C LEU A 61 -3.249 0.364 -8.041 1.00 0.00 C ATOM 839 O LEU A 61 -2.358 -0.124 -7.346 1.00 0.00 O ATOM 840 CB LEU A 61 -4.518 -1.353 -9.344 1.00 0.00 C ATOM 841 CG LEU A 61 -5.771 -2.196 -9.577 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.606 -3.069 -10.812 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.074 -3.051 -8.355 1.00 0.00 C ATOM 0 H LEU A 61 -5.494 1.243 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.814 -0.867 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.291 -0.814 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.682 -2.026 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.612 -1.523 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.508 -3.662 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.438 -2.437 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.753 -3.734 -10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.970 -3.644 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.233 -3.715 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.237 -2.406 -7.491 1.00 0.00 H new ATOM 855 N SER A 62 -3.112 1.517 -8.689 1.00 0.00 N ATOM 856 CA SER A 62 -1.877 2.290 -8.621 1.00 0.00 C ATOM 857 C SER A 62 -2.126 3.657 -7.992 1.00 0.00 C ATOM 858 O SER A 62 -3.103 4.333 -8.314 1.00 0.00 O ATOM 859 CB SER A 62 -1.281 2.461 -10.021 1.00 0.00 C ATOM 860 OG SER A 62 -2.224 3.034 -10.910 1.00 0.00 O ATOM 0 H SER A 62 -3.841 1.936 -9.267 1.00 0.00 H new ATOM 0 HA SER A 62 -1.170 1.745 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.395 3.094 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.958 1.493 -10.403 1.00 0.00 H new ATOM 0 HG SER A 62 -1.819 3.134 -11.797 1.00 0.00 H new ATOM 866 N TYR A 63 -1.236 4.057 -7.092 1.00 0.00 N ATOM 867 CA TYR A 63 -1.358 5.342 -6.414 1.00 0.00 C ATOM 868 C TYR A 63 0.007 6.000 -6.242 1.00 0.00 C ATOM 869 O TYR A 63 0.951 5.377 -5.756 1.00 0.00 O ATOM 870 CB TYR A 63 -2.025 5.161 -5.049 1.00 0.00 C ATOM 871 CG TYR A 63 -2.247 6.459 -4.307 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.267 7.328 -4.675 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.437 6.818 -3.236 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.473 8.516 -4.001 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.637 8.003 -2.554 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.656 8.849 -2.941 1.00 0.00 C ATOM 877 OH TYR A 63 -2.858 10.030 -2.265 1.00 0.00 O ATOM 0 H TYR A 63 -0.421 3.510 -6.814 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.979 5.992 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.984 4.662 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.408 4.503 -4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.910 7.070 -5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.637 6.159 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.269 9.180 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.999 8.266 -1.723 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.198 10.112 -1.545 1.00 0.00 H new ATOM 887 N GLU A 64 0.104 7.263 -6.643 1.00 0.00 N ATOM 888 CA GLU A 64 1.354 8.007 -6.533 1.00 0.00 C ATOM 889 C GLU A 64 1.362 8.875 -5.278 1.00 0.00 C ATOM 890 O GLU A 64 0.466 9.692 -5.071 1.00 0.00 O ATOM 891 CB GLU A 64 1.564 8.880 -7.772 1.00 0.00 C ATOM 892 CG GLU A 64 2.866 9.663 -7.752 1.00 0.00 C ATOM 893 CD GLU A 64 3.200 10.275 -9.097 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.638 9.526 -9.997 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.025 11.501 -9.252 1.00 0.00 O ATOM 0 H GLU A 64 -0.668 7.793 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 64 2.170 7.288 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.544 8.247 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.731 9.578 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.799 10.453 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.678 9.003 -7.446 1.00 0.00 H new ATOM 902 N ILE A 65 2.381 8.688 -4.445 1.00 0.00 N ATOM 903 CA ILE A 65 2.507 9.453 -3.210 1.00 0.00 C ATOM 904 C ILE A 65 3.637 10.472 -3.308 1.00 0.00 C ATOM 905 O ILE A 65 4.730 10.160 -3.781 1.00 0.00 O ATOM 906 CB ILE A 65 2.763 8.534 -2.002 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.485 7.781 -1.626 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.274 9.343 -0.819 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.741 6.492 -0.876 1.00 0.00 C ATOM 0 H ILE A 65 3.130 8.014 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 65 1.561 9.975 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 65 3.526 7.805 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.858 8.429 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.924 7.558 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.450 8.679 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.206 9.838 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.532 10.093 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.791 6.012 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.342 5.825 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.275 6.709 0.049 1.00 0.00 H new ATOM 921 N LYS A 66 3.367 11.692 -2.858 1.00 0.00 N ATOM 922 CA LYS A 66 4.361 12.758 -2.891 1.00 0.00 C ATOM 923 C LYS A 66 4.364 13.541 -1.582 1.00 0.00 C ATOM 924 O LYS A 66 3.545 13.292 -0.697 1.00 0.00 O ATOM 925 CB LYS A 66 4.088 13.703 -4.063 1.00 0.00 C ATOM 926 CG LYS A 66 4.335 13.073 -5.423 1.00 0.00 C ATOM 927 CD LYS A 66 4.169 14.084 -6.544 1.00 0.00 C ATOM 928 CE LYS A 66 2.718 14.509 -6.704 1.00 0.00 C ATOM 929 NZ LYS A 66 1.882 13.420 -7.280 1.00 0.00 N ATOM 0 H LYS A 66 2.467 11.968 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 66 5.342 12.301 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.053 14.042 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.719 14.586 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.341 12.656 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.642 12.245 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.785 14.960 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.528 13.654 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.316 14.801 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.665 15.387 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.056 13.833 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.444 12.877 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.561 12.789 -6.518 1.00 0.00 H new ATOM 943 N GLY A 67 5.287 14.491 -1.466 1.00 0.00 N ATOM 944 CA GLY A 67 5.376 15.297 -0.263 1.00 0.00 C ATOM 945 C GLY A 67 6.056 14.564 0.877 1.00 0.00 C ATOM 946 O GLY A 67 5.784 14.832 2.047 1.00 0.00 O ATOM 0 H GLY A 67 5.975 14.717 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.926 16.212 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.374 15.594 0.047 1.00 0.00 H new ATOM 950 N LEU A 68 6.941 13.633 0.536 1.00 0.00 N ATOM 951 CA LEU A 68 7.660 12.857 1.540 1.00 0.00 C ATOM 952 C LEU A 68 8.969 13.540 1.921 1.00 0.00 C ATOM 953 O LEU A 68 9.339 14.563 1.343 1.00 0.00 O ATOM 954 CB LEU A 68 7.940 11.447 1.018 1.00 0.00 C ATOM 955 CG LEU A 68 6.763 10.728 0.360 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.256 9.595 -0.527 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.802 10.200 1.416 1.00 0.00 C ATOM 0 H LEU A 68 7.178 13.398 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 68 7.034 12.791 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.754 11.504 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.293 10.837 1.849 1.00 0.00 H new ATOM 0 HG LEU A 68 6.229 11.445 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.403 9.095 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.903 9.998 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.815 8.879 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.970 9.691 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.325 9.499 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.421 11.031 2.010 1.00 0.00 H new ATOM 969 N SER A 69 9.667 12.968 2.896 1.00 0.00 N ATOM 970 CA SER A 69 10.935 13.522 3.356 1.00 0.00 C ATOM 971 C SER A 69 12.096 12.600 2.993 1.00 0.00 C ATOM 972 O SER A 69 11.982 11.374 3.031 1.00 0.00 O ATOM 973 CB SER A 69 10.900 13.746 4.868 1.00 0.00 C ATOM 974 OG SER A 69 10.334 15.005 5.186 1.00 0.00 O ATOM 0 H SER A 69 9.376 12.121 3.383 1.00 0.00 H new ATOM 0 HA SER A 69 11.086 14.480 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.321 12.954 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.911 13.687 5.271 1.00 0.00 H new ATOM 0 HG SER A 69 10.322 15.122 6.159 1.00 0.00 H new ATOM 980 N PRO A 70 13.239 13.201 2.632 1.00 0.00 N ATOM 981 CA PRO A 70 14.442 12.454 2.256 1.00 0.00 C ATOM 982 C PRO A 70 15.078 11.742 3.446 1.00 0.00 C ATOM 983 O PRO A 70 14.868 12.127 4.596 1.00 0.00 O ATOM 984 CB PRO A 70 15.380 13.539 1.719 1.00 0.00 C ATOM 985 CG PRO A 70 14.931 14.793 2.387 1.00 0.00 C ATOM 986 CD PRO A 70 13.444 14.659 2.565 1.00 0.00 C ATOM 0 HA PRO A 70 14.223 11.665 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.420 13.315 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.310 13.621 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.429 14.923 3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.174 15.666 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.102 15.155 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.898 15.104 1.733 1.00 0.00 H new ATOM 994 N ALA A 71 15.855 10.704 3.161 1.00 0.00 N ATOM 995 CA ALA A 71 16.524 9.939 4.206 1.00 0.00 C ATOM 996 C ALA A 71 15.565 9.617 5.348 1.00 0.00 C ATOM 997 O ALA A 71 15.874 9.854 6.518 1.00 0.00 O ATOM 998 CB ALA A 71 17.732 10.703 4.728 1.00 0.00 C ATOM 0 H ALA A 71 16.037 10.372 2.214 1.00 0.00 H new ATOM 0 HA ALA A 71 16.863 8.998 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.222 10.120 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.433 10.878 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.408 11.659 5.139 1.00 0.00 H new ATOM 1004 N THR A 72 14.401 9.079 5.003 1.00 0.00 N ATOM 1005 CA THR A 72 13.397 8.726 6.000 1.00 0.00 C ATOM 1006 C THR A 72 12.726 7.400 5.660 1.00 0.00 C ATOM 1007 O THR A 72 12.279 7.188 4.533 1.00 0.00 O ATOM 1008 CB THR A 72 12.316 9.818 6.118 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.924 11.077 6.427 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.302 9.461 7.195 1.00 0.00 C ATOM 0 H THR A 72 14.129 8.878 4.041 1.00 0.00 H new ATOM 0 HA THR A 72 13.917 8.633 6.953 1.00 0.00 H new ATOM 0 HB THR A 72 11.797 9.890 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.504 11.351 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.549 10.246 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.820 8.516 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.809 9.364 8.155 1.00 0.00 H new ATOM 1018 N THR A 73 12.660 6.507 6.643 1.00 0.00 N ATOM 1019 CA THR A 73 12.045 5.200 6.449 1.00 0.00 C ATOM 1020 C THR A 73 10.525 5.307 6.423 1.00 0.00 C ATOM 1021 O THR A 73 9.926 5.998 7.249 1.00 0.00 O ATOM 1022 CB THR A 73 12.461 4.213 7.556 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.861 4.339 7.824 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.143 2.782 7.151 1.00 0.00 C ATOM 0 H THR A 73 13.025 6.666 7.582 1.00 0.00 H new ATOM 0 HA THR A 73 12.397 4.824 5.488 1.00 0.00 H new ATOM 0 HB THR A 73 11.897 4.453 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.117 3.709 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.445 2.103 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.072 2.683 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.684 2.534 6.238 1.00 0.00 H new ATOM 1032 N TYR A 74 9.904 4.619 5.471 1.00 0.00 N ATOM 1033 CA TYR A 74 8.452 4.637 5.338 1.00 0.00 C ATOM 1034 C TYR A 74 7.893 3.220 5.260 1.00 0.00 C ATOM 1035 O TYR A 74 8.625 2.265 4.993 1.00 0.00 O ATOM 1036 CB TYR A 74 8.044 5.427 4.093 1.00 0.00 C ATOM 1037 CG TYR A 74 8.168 6.924 4.258 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.120 7.674 4.778 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.331 7.589 3.893 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.229 9.043 4.931 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.450 8.958 4.043 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.396 9.680 4.562 1.00 0.00 C ATOM 1043 OH TYR A 74 8.508 11.043 4.712 1.00 0.00 O ATOM 0 H TYR A 74 10.384 4.042 4.780 1.00 0.00 H new ATOM 0 HA TYR A 74 8.038 5.122 6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.662 5.110 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.013 5.182 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.205 7.179 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.158 7.026 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.405 9.611 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.363 9.459 3.756 1.00 0.00 H new ATOM 0 HH TYR A 74 9.013 11.242 5.528 1.00 0.00 H new ATOM 1053 N TYR A 75 6.593 3.088 5.495 1.00 0.00 N ATOM 1054 CA TYR A 75 5.935 1.788 5.454 1.00 0.00 C ATOM 1055 C TYR A 75 4.581 1.884 4.758 1.00 0.00 C ATOM 1056 O TYR A 75 3.913 2.918 4.814 1.00 0.00 O ATOM 1057 CB TYR A 75 5.755 1.239 6.870 1.00 0.00 C ATOM 1058 CG TYR A 75 7.030 1.231 7.683 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.531 2.403 8.237 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.735 0.053 7.896 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.696 2.401 8.980 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.900 0.041 8.638 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.376 1.217 9.178 1.00 0.00 C ATOM 1064 OH TYR A 75 10.537 1.210 9.917 1.00 0.00 O ATOM 0 H TYR A 75 5.973 3.867 5.716 1.00 0.00 H new ATOM 0 HA TYR A 75 6.568 1.107 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.006 1.837 7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.366 0.223 6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.001 3.331 8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.366 -0.870 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.072 3.321 9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.435 -0.884 8.794 1.00 0.00 H new ATOM 0 HH TYR A 75 10.891 0.297 9.962 1.00 0.00 H new ATOM 1074 N CYS A 76 4.182 0.800 4.102 1.00 0.00 N ATOM 1075 CA CYS A 76 2.907 0.761 3.394 1.00 0.00 C ATOM 1076 C CYS A 76 2.307 -0.641 3.434 1.00 0.00 C ATOM 1077 O CYS A 76 3.008 -1.633 3.234 1.00 0.00 O ATOM 1078 CB CYS A 76 3.091 1.210 1.944 1.00 0.00 C ATOM 1079 SG CYS A 76 3.907 -0.013 0.891 1.00 0.00 S ATOM 0 H CYS A 76 4.722 -0.063 4.046 1.00 0.00 H new ATOM 0 HA CYS A 76 2.220 1.445 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.114 1.444 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.673 2.131 1.931 1.00 0.00 H new ATOM 0 HG CYS A 76 3.854 -1.180 1.461 1.00 0.00 H new ATOM 1085 N ARG A 77 1.006 -0.715 3.694 1.00 0.00 N ATOM 1086 CA ARG A 77 0.312 -1.995 3.762 1.00 0.00 C ATOM 1087 C ARG A 77 -1.042 -1.918 3.062 1.00 0.00 C ATOM 1088 O ARG A 77 -1.860 -1.049 3.364 1.00 0.00 O ATOM 1089 CB ARG A 77 0.121 -2.419 5.219 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.646 -1.405 6.052 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.768 -1.853 7.501 1.00 0.00 C ATOM 1092 NE ARG A 77 0.354 -1.391 8.313 1.00 0.00 N ATOM 1093 CZ ARG A 77 0.560 -1.776 9.568 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.274 -2.626 10.150 1.00 0.00 N ATOM 1095 NH2 ARG A 77 1.604 -1.311 10.243 1.00 0.00 N ATOM 0 H ARG A 77 0.411 0.097 3.861 1.00 0.00 H new ATOM 0 HA ARG A 77 0.924 -2.739 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.407 -3.372 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.099 -2.584 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.140 -0.440 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.640 -1.262 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.700 -1.473 7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.821 -2.941 7.541 1.00 0.00 H new ATOM 0 HE ARG A 77 1.016 -0.737 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.077 -2.987 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.113 -2.920 11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.249 -0.658 9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.761 -1.607 11.206 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.271 -2.831 2.124 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.525 -2.868 1.382 1.00 0.00 C ATOM 1111 C VAL A 78 -3.341 -4.104 1.742 1.00 0.00 C ATOM 1112 O VAL A 78 -2.786 -5.160 2.042 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.278 -2.854 -0.139 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.525 -4.104 -0.569 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.594 -2.728 -0.891 1.00 0.00 C ATOM 0 H VAL A 78 -0.604 -3.556 1.860 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.084 -1.974 1.660 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.663 -1.987 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.360 -4.077 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.565 -4.145 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.111 -4.987 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.401 -2.720 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.236 -3.573 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.089 -1.800 -0.604 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.663 -3.964 1.709 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.556 -5.070 2.031 1.00 0.00 C ATOM 1127 C GLN A 79 -6.809 -5.030 1.162 1.00 0.00 C ATOM 1128 O GLN A 79 -7.217 -3.968 0.694 1.00 0.00 O ATOM 1129 CB GLN A 79 -5.946 -5.023 3.511 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.001 -3.976 3.829 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.602 -4.154 5.208 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.682 -4.925 5.289 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.104 -3.605 6.191 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.138 -3.096 1.463 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.027 -6.001 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.316 -6.003 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.056 -4.822 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.556 -2.984 3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.793 -4.026 3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.274 -3.021 6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.521 -3.734 7.113 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.412 -6.195 0.950 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.619 -6.292 0.138 1.00 0.00 C ATOM 1144 C ALA A 80 -9.865 -6.362 1.014 1.00 0.00 C ATOM 1145 O ALA A 80 -9.972 -7.217 1.893 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.544 -7.508 -0.775 1.00 0.00 C ATOM 0 H ALA A 80 -7.085 -7.084 1.329 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.688 -5.394 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.452 -7.568 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.679 -7.417 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.447 -8.411 -0.172 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.806 -5.458 0.767 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.048 -5.415 1.533 1.00 0.00 C ATOM 1154 C LEU A 81 -13.187 -6.071 0.760 1.00 0.00 C ATOM 1155 O LEU A 81 -13.389 -5.794 -0.422 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.411 -3.970 1.873 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.592 -3.314 2.986 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.354 -2.643 2.411 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.439 -2.310 3.752 1.00 0.00 C ATOM 0 H LEU A 81 -10.733 -4.744 0.042 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.895 -5.971 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.306 -3.369 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.463 -3.938 2.157 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.271 -4.090 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.783 -2.181 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.736 -3.388 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.654 -1.878 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.839 -1.854 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.792 -1.536 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.294 -2.819 4.196 1.00 0.00 H new ATOM 1171 N SER A 82 -13.932 -6.939 1.437 1.00 0.00 N ATOM 1172 CA SER A 82 -15.051 -7.636 0.813 1.00 0.00 C ATOM 1173 C SER A 82 -16.380 -7.139 1.373 1.00 0.00 C ATOM 1174 O SER A 82 -16.418 -6.209 2.180 1.00 0.00 O ATOM 1175 CB SER A 82 -14.927 -9.145 1.032 1.00 0.00 C ATOM 1176 OG SER A 82 -14.592 -9.440 2.378 1.00 0.00 O ATOM 0 H SER A 82 -13.781 -7.176 2.417 1.00 0.00 H new ATOM 0 HA SER A 82 -15.025 -7.428 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.867 -9.632 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.165 -9.551 0.367 1.00 0.00 H new ATOM 0 HG SER A 82 -14.520 -10.411 2.492 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.470 -7.763 0.939 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.801 -7.386 1.396 1.00 0.00 C ATOM 1184 C VAL A 83 -19.244 -8.250 2.573 1.00 0.00 C ATOM 1185 O VAL A 83 -20.368 -8.127 3.059 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.839 -7.508 0.265 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.801 -6.278 -0.629 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.598 -8.773 -0.544 1.00 0.00 C ATOM 0 H VAL A 83 -17.457 -8.533 0.270 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.743 -6.345 1.714 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.831 -7.573 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.541 -6.382 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.026 -5.391 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.809 -6.179 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.340 -8.843 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.600 -8.741 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.681 -9.643 0.108 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.352 -9.126 3.024 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.650 -10.011 4.145 1.00 0.00 C ATOM 1200 C VAL A 84 -17.660 -9.803 5.286 1.00 0.00 C ATOM 1201 O VAL A 84 -17.950 -10.122 6.438 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.620 -11.490 3.716 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.187 -11.995 3.643 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.445 -12.338 4.671 1.00 0.00 C ATOM 0 H VAL A 84 -17.418 -9.242 2.631 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.654 -9.761 4.488 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.060 -11.572 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.185 -13.042 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.630 -11.404 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.718 -11.901 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.413 -13.380 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.037 -12.253 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.478 -11.989 4.668 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.489 -9.266 4.958 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.475 -9.024 5.966 1.00 0.00 C ATOM 1216 C GLY A 85 -14.372 -8.109 5.472 1.00 0.00 C ATOM 1217 O GLY A 85 -14.643 -7.068 4.875 1.00 0.00 O ATOM 0 H GLY A 85 -16.225 -8.994 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.941 -8.583 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.042 -9.975 6.277 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.126 -8.498 5.722 1.00 0.00 N ATOM 1222 CA ALA A 86 -11.979 -7.704 5.299 1.00 0.00 C ATOM 1223 C ALA A 86 -10.693 -8.521 5.360 1.00 0.00 C ATOM 1224 O ALA A 86 -10.336 -9.057 6.407 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.855 -6.455 6.158 1.00 0.00 C ATOM 0 H ALA A 86 -12.885 -9.358 6.215 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.139 -7.404 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.994 -5.872 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.759 -5.854 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.723 -6.742 7.201 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.002 -8.614 4.228 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.764 -9.369 4.175 1.00 0.00 C ATOM 1233 C GLY A 87 -7.669 -8.748 5.019 1.00 0.00 C ATOM 1234 O GLY A 87 -7.677 -7.550 5.300 1.00 0.00 O ATOM 0 H GLY A 87 -10.277 -8.180 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.948 -10.387 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.427 -9.436 3.141 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.700 -9.574 5.440 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.576 -9.121 6.265 1.00 0.00 C ATOM 1240 C PRO A 88 -4.613 -8.227 5.492 1.00 0.00 C ATOM 1241 O PRO A 88 -4.626 -8.202 4.261 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.885 -10.425 6.671 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.244 -11.394 5.598 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.626 -11.015 5.143 1.00 0.00 C ATOM 0 HA PRO A 88 -5.908 -8.518 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.805 -10.295 6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.230 -10.769 7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.534 -11.343 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.224 -12.417 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.768 -11.214 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.393 -11.575 5.678 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.777 -7.494 6.221 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.808 -6.598 5.603 1.00 0.00 C ATOM 1254 C PHE A 89 -1.577 -7.369 5.133 1.00 0.00 C ATOM 1255 O PHE A 89 -1.059 -8.226 5.848 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.392 -5.504 6.588 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.294 -4.304 6.568 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.269 -3.421 5.500 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.168 -4.059 7.615 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.098 -2.315 5.479 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.000 -2.956 7.599 1.00 0.00 C ATOM 1262 CZ PHE A 89 -4.966 -2.082 6.529 1.00 0.00 C ATOM 0 H PHE A 89 -3.752 -7.504 7.241 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.280 -6.136 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.377 -5.920 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.375 -5.187 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.595 -3.599 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.199 -4.739 8.454 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.067 -1.633 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.676 -2.777 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.616 -1.219 6.513 1.00 0.00 H new ATOM 1272 N SER A 90 -1.117 -7.058 3.925 1.00 0.00 N ATOM 1273 CA SER A 90 0.049 -7.724 3.357 1.00 0.00 C ATOM 1274 C SER A 90 1.269 -7.545 4.255 1.00 0.00 C ATOM 1275 O SER A 90 1.171 -6.985 5.347 1.00 0.00 O ATOM 1276 CB SER A 90 0.346 -7.175 1.960 1.00 0.00 C ATOM 1277 OG SER A 90 0.640 -5.789 2.008 1.00 0.00 O ATOM 0 H SER A 90 -1.534 -6.349 3.321 1.00 0.00 H new ATOM 0 HA SER A 90 -0.173 -8.789 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.188 -7.714 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.511 -7.346 1.309 1.00 0.00 H new ATOM 0 HG SER A 90 1.611 -5.659 1.974 1.00 0.00 H new ATOM 1283 N GLU A 91 2.418 -8.023 3.787 1.00 0.00 N ATOM 1284 CA GLU A 91 3.656 -7.916 4.548 1.00 0.00 C ATOM 1285 C GLU A 91 4.206 -6.494 4.495 1.00 0.00 C ATOM 1286 O GLU A 91 4.612 -6.013 3.436 1.00 0.00 O ATOM 1287 CB GLU A 91 4.698 -8.898 4.009 1.00 0.00 C ATOM 1288 CG GLU A 91 4.392 -10.351 4.336 1.00 0.00 C ATOM 1289 CD GLU A 91 5.508 -11.290 3.922 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.011 -11.148 2.788 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.877 -12.167 4.730 1.00 0.00 O ATOM 0 H GLU A 91 2.516 -8.488 2.884 1.00 0.00 H new ATOM 0 HA GLU A 91 3.437 -8.164 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.766 -8.784 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.674 -8.640 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.218 -10.449 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.470 -10.646 3.835 1.00 0.00 H new ATOM 1298 N VAL A 92 4.217 -5.826 5.643 1.00 0.00 N ATOM 1299 CA VAL A 92 4.718 -4.459 5.730 1.00 0.00 C ATOM 1300 C VAL A 92 5.989 -4.287 4.905 1.00 0.00 C ATOM 1301 O VAL A 92 7.040 -4.832 5.243 1.00 0.00 O ATOM 1302 CB VAL A 92 5.007 -4.058 7.188 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.580 -2.651 7.250 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.745 -4.166 8.029 1.00 0.00 C ATOM 0 H VAL A 92 3.884 -6.209 6.528 1.00 0.00 H new ATOM 0 HA VAL A 92 3.938 -3.810 5.331 1.00 0.00 H new ATOM 0 HB VAL A 92 5.748 -4.745 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.778 -2.384 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.509 -2.611 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.864 -1.948 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.967 -3.879 9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.980 -3.503 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.382 -5.193 8.010 1.00 0.00 H new ATOM 1314 N VAL A 93 5.886 -3.526 3.821 1.00 0.00 N ATOM 1315 CA VAL A 93 7.028 -3.280 2.948 1.00 0.00 C ATOM 1316 C VAL A 93 7.742 -1.988 3.328 1.00 0.00 C ATOM 1317 O VAL A 93 7.257 -0.893 3.047 1.00 0.00 O ATOM 1318 CB VAL A 93 6.598 -3.200 1.471 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.792 -2.877 0.585 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.939 -4.501 1.037 1.00 0.00 C ATOM 0 H VAL A 93 5.023 -3.069 3.526 1.00 0.00 H new ATOM 0 HA VAL A 93 7.711 -4.120 3.076 1.00 0.00 H new ATOM 0 HB VAL A 93 5.869 -2.397 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.470 -2.824 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.217 -1.918 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.546 -3.657 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.641 -4.427 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.644 -5.324 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.059 -4.686 1.652 1.00 0.00 H new ATOM 1330 N ALA A 94 8.898 -2.123 3.969 1.00 0.00 N ATOM 1331 CA ALA A 94 9.681 -0.967 4.386 1.00 0.00 C ATOM 1332 C ALA A 94 10.472 -0.389 3.217 1.00 0.00 C ATOM 1333 O ALA A 94 10.857 -1.113 2.298 1.00 0.00 O ATOM 1334 CB ALA A 94 10.618 -1.346 5.524 1.00 0.00 C ATOM 0 H ALA A 94 9.313 -3.023 4.211 1.00 0.00 H new ATOM 0 HA ALA A 94 8.991 -0.200 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.197 -0.473 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.034 -1.705 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.295 -2.133 5.191 1.00 0.00 H new ATOM 1340 N CYS A 95 10.710 0.917 3.259 1.00 0.00 N ATOM 1341 CA CYS A 95 11.454 1.593 2.201 1.00 0.00 C ATOM 1342 C CYS A 95 12.044 2.906 2.705 1.00 0.00 C ATOM 1343 O CYS A 95 11.350 3.712 3.327 1.00 0.00 O ATOM 1344 CB CYS A 95 10.547 1.854 0.998 1.00 0.00 C ATOM 1345 SG CYS A 95 9.269 3.099 1.295 1.00 0.00 S ATOM 0 H CYS A 95 10.399 1.529 4.013 1.00 0.00 H new ATOM 0 HA CYS A 95 12.273 0.943 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.161 2.173 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.068 0.919 0.708 1.00 0.00 H new ATOM 0 HG CYS A 95 9.802 4.141 1.861 1.00 0.00 H new ATOM 1351 N VAL A 96 13.328 3.115 2.434 1.00 0.00 N ATOM 1352 CA VAL A 96 14.011 4.331 2.860 1.00 0.00 C ATOM 1353 C VAL A 96 14.217 5.284 1.690 1.00 0.00 C ATOM 1354 O VAL A 96 14.774 4.909 0.657 1.00 0.00 O ATOM 1355 CB VAL A 96 15.378 4.012 3.495 1.00 0.00 C ATOM 1356 CG1 VAL A 96 16.114 5.296 3.849 1.00 0.00 C ATOM 1357 CG2 VAL A 96 15.203 3.132 4.723 1.00 0.00 C ATOM 0 H VAL A 96 13.916 2.458 1.921 1.00 0.00 H new ATOM 0 HA VAL A 96 13.374 4.808 3.605 1.00 0.00 H new ATOM 0 HB VAL A 96 15.979 3.465 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.077 5.052 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.272 5.885 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.520 5.872 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.179 2.917 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.585 3.650 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.720 2.198 4.436 1.00 0.00 H new ATOM 1367 N THR A 97 13.762 6.523 1.855 1.00 0.00 N ATOM 1368 CA THR A 97 13.895 7.532 0.813 1.00 0.00 C ATOM 1369 C THR A 97 15.324 8.059 0.736 1.00 0.00 C ATOM 1370 O THR A 97 16.039 8.132 1.736 1.00 0.00 O ATOM 1371 CB THR A 97 12.936 8.713 1.048 1.00 0.00 C ATOM 1372 OG1 THR A 97 12.844 8.998 2.449 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.552 8.407 0.496 1.00 0.00 C ATOM 0 H THR A 97 13.298 6.851 2.702 1.00 0.00 H new ATOM 0 HA THR A 97 13.638 7.048 -0.129 1.00 0.00 H new ATOM 0 HB THR A 97 13.333 9.583 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.893 9.967 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.893 9.257 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.621 8.220 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.149 7.525 0.993 1.00 0.00 H new ATOM 1381 N PRO A 98 15.751 8.437 -0.478 1.00 0.00 N ATOM 1382 CA PRO A 98 17.098 8.966 -0.713 1.00 0.00 C ATOM 1383 C PRO A 98 17.291 10.351 -0.105 1.00 0.00 C ATOM 1384 O PRO A 98 16.360 11.151 -0.016 1.00 0.00 O ATOM 1385 CB PRO A 98 17.191 9.034 -2.239 1.00 0.00 C ATOM 1386 CG PRO A 98 15.779 9.157 -2.699 1.00 0.00 C ATOM 1387 CD PRO A 98 14.953 8.378 -1.714 1.00 0.00 C ATOM 0 HA PRO A 98 17.866 8.344 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 98 17.788 9.887 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.664 8.141 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.468 10.201 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.661 8.760 -3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 98 13.967 8.821 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.798 7.351 -2.043 1.00 0.00 H new ATOM 1395 N PRO A 99 18.529 10.643 0.322 1.00 0.00 N ATOM 1396 CA PRO A 99 18.873 11.934 0.927 1.00 0.00 C ATOM 1397 C PRO A 99 18.848 13.074 -0.084 1.00 0.00 C ATOM 1398 O PRO A 99 19.081 12.866 -1.275 1.00 0.00 O ATOM 1399 CB PRO A 99 20.295 11.712 1.448 1.00 0.00 C ATOM 1400 CG PRO A 99 20.849 10.629 0.589 1.00 0.00 C ATOM 1401 CD PRO A 99 19.687 9.737 0.246 1.00 0.00 C ATOM 0 HA PRO A 99 18.161 12.225 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 99 20.891 12.621 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.291 11.421 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.305 11.040 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.626 10.073 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.793 9.303 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.596 8.908 0.948 1.00 0.00 H new ATOM 1409 N SER A 100 18.561 14.280 0.397 1.00 0.00 N ATOM 1410 CA SER A 100 18.501 15.453 -0.466 1.00 0.00 C ATOM 1411 C SER A 100 19.609 16.443 -0.115 1.00 0.00 C ATOM 1412 O SER A 100 19.405 17.366 0.672 1.00 0.00 O ATOM 1413 CB SER A 100 17.136 16.134 -0.343 1.00 0.00 C ATOM 1414 OG SER A 100 17.003 17.182 -1.287 1.00 0.00 O ATOM 0 H SER A 100 18.366 14.470 1.380 1.00 0.00 H new ATOM 0 HA SER A 100 18.644 15.124 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.345 15.400 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.013 16.530 0.665 1.00 0.00 H new ATOM 0 HG SER A 100 16.122 17.600 -1.189 1.00 0.00 H new ATOM 1420 N SER A 101 20.782 16.242 -0.707 1.00 0.00 N ATOM 1421 CA SER A 101 21.925 17.113 -0.455 1.00 0.00 C ATOM 1422 C SER A 101 22.170 18.043 -1.640 1.00 0.00 C ATOM 1423 O SER A 101 22.292 19.255 -1.475 1.00 0.00 O ATOM 1424 CB SER A 101 23.177 16.278 -0.179 1.00 0.00 C ATOM 1425 OG SER A 101 23.189 15.804 1.156 1.00 0.00 O ATOM 0 H SER A 101 20.966 15.484 -1.364 1.00 0.00 H new ATOM 0 HA SER A 101 21.702 17.721 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.215 15.434 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 101 24.067 16.880 -0.363 1.00 0.00 H new ATOM 0 HG SER A 101 23.998 15.272 1.307 1.00 0.00 H new ATOM 1431 N GLY A 102 22.241 17.463 -2.834 1.00 0.00 N ATOM 1432 CA GLY A 102 22.472 18.253 -4.029 1.00 0.00 C ATOM 1433 C GLY A 102 23.796 17.930 -4.692 1.00 0.00 C ATOM 1434 O GLY A 102 24.661 17.273 -4.111 1.00 0.00 O ATOM 0 H GLY A 102 22.143 16.461 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 102 21.662 18.079 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.447 19.312 -3.771 1.00 0.00 H new ATOM 1438 N PRO A 103 23.969 18.397 -5.937 1.00 0.00 N ATOM 1439 CA PRO A 103 25.195 18.165 -6.706 1.00 0.00 C ATOM 1440 C PRO A 103 26.386 18.937 -6.146 1.00 0.00 C ATOM 1441 O PRO A 103 27.537 18.626 -6.450 1.00 0.00 O ATOM 1442 CB PRO A 103 24.838 18.674 -8.104 1.00 0.00 C ATOM 1443 CG PRO A 103 23.760 19.677 -7.879 1.00 0.00 C ATOM 1444 CD PRO A 103 22.981 19.189 -6.689 1.00 0.00 C ATOM 0 HA PRO A 103 25.499 17.118 -6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 103 25.701 19.124 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.495 17.862 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.180 20.665 -7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.119 19.764 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.594 20.017 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.125 18.584 -6.989 1.00 0.00 H new ATOM 1452 N SER A 104 26.099 19.944 -5.328 1.00 0.00 N ATOM 1453 CA SER A 104 27.148 20.762 -4.728 1.00 0.00 C ATOM 1454 C SER A 104 27.664 20.125 -3.441 1.00 0.00 C ATOM 1455 O SER A 104 27.021 20.205 -2.395 1.00 0.00 O ATOM 1456 CB SER A 104 26.622 22.170 -4.439 1.00 0.00 C ATOM 1457 OG SER A 104 25.608 22.142 -3.449 1.00 0.00 O ATOM 0 H SER A 104 25.151 20.213 -5.065 1.00 0.00 H new ATOM 0 HA SER A 104 27.974 20.828 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 104 27.442 22.807 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 104 26.228 22.610 -5.355 1.00 0.00 H new ATOM 0 HG SER A 104 25.896 21.577 -2.702 1.00 0.00 H new ATOM 1463 N SER A 105 28.830 19.494 -3.528 1.00 0.00 N ATOM 1464 CA SER A 105 29.434 18.840 -2.373 1.00 0.00 C ATOM 1465 C SER A 105 30.848 19.359 -2.132 1.00 0.00 C ATOM 1466 O SER A 105 31.155 19.886 -1.064 1.00 0.00 O ATOM 1467 CB SER A 105 29.461 17.324 -2.576 1.00 0.00 C ATOM 1468 OG SER A 105 30.260 16.692 -1.591 1.00 0.00 O ATOM 0 H SER A 105 29.376 19.422 -4.387 1.00 0.00 H new ATOM 0 HA SER A 105 28.828 19.071 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 105 28.446 16.930 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 105 29.851 17.094 -3.568 1.00 0.00 H new ATOM 0 HG SER A 105 30.260 15.724 -1.742 1.00 0.00 H new ATOM 1474 N GLY A 106 31.707 19.204 -3.135 1.00 0.00 N ATOM 1475 CA GLY A 106 33.080 19.662 -3.013 1.00 0.00 C ATOM 1476 C GLY A 106 34.050 18.797 -3.793 1.00 0.00 C ATOM 1477 O GLY A 106 33.738 18.339 -4.893 1.00 0.00 O ATOM 0 H GLY A 106 31.478 18.770 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 106 33.150 20.691 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.366 19.666 -1.961 1.00 0.00 H new TER 1481 GLY A 106