USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 727 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 75 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Set 1.2: A 99 GLN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 33 CYS SG : rot -40:sc= 0.436 USER MOD Set 2.2: A 83 CYS SG : rot -175:sc= -0.891 USER MOD Set 3.1: A 28 SER OG : rot -170:sc= -0.0654 USER MOD Set 3.2: A 71 GLN : amide:sc= -0.0983 K(o=-0.16,f=-2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 28:sc= 0.224 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -5.02! C(o=-5!,f=-11!) USER MOD Single : A 18 HIS : no HE2:sc= -3.06! K(o=-3.1!,f=-4.6) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -18:sc= 0.44 USER MOD Single : A 32 SER OG : rot 180:sc= -0.071 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.7!) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.546 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0325 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 1.14 (180deg=-0.644) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 59:sc= 1.2 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -1.23 (180deg=-1.76!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.456 USER MOD Single : A 65 THR OG1 : rot 78:sc= 0.572 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 81 TYR OH : rot -52:sc= 0.826 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.33) USER MOD Single : A 89 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.812 31.775 -4.271 1.00 0.00 N ATOM 2 CA GLY A 1 8.096 33.183 -4.065 1.00 0.00 C ATOM 3 C GLY A 1 8.114 33.562 -2.597 1.00 0.00 C ATOM 4 O GLY A 1 9.020 33.172 -1.860 1.00 0.00 O ATOM 0 H1 GLY A 1 7.811 31.567 -5.290 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.541 31.201 -3.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.880 31.547 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.060 33.425 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.346 33.781 -4.582 1.00 0.00 H new ATOM 8 N SER A 2 7.112 34.325 -2.172 1.00 0.00 N ATOM 9 CA SER A 2 7.020 34.761 -0.783 1.00 0.00 C ATOM 10 C SER A 2 5.720 34.279 -0.148 1.00 0.00 C ATOM 11 O SER A 2 5.720 33.734 0.956 1.00 0.00 O ATOM 12 CB SER A 2 7.107 36.286 -0.699 1.00 0.00 C ATOM 13 OG SER A 2 8.405 36.743 -1.036 1.00 0.00 O ATOM 0 H SER A 2 6.353 34.654 -2.769 1.00 0.00 H new ATOM 0 HA SER A 2 7.855 34.326 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.375 36.733 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.854 36.613 0.310 1.00 0.00 H new ATOM 0 HG SER A 2 8.433 37.721 -0.976 1.00 0.00 H new ATOM 19 N SER A 3 4.612 34.482 -0.854 1.00 0.00 N ATOM 20 CA SER A 3 3.303 34.072 -0.358 1.00 0.00 C ATOM 21 C SER A 3 3.058 32.592 -0.634 1.00 0.00 C ATOM 22 O SER A 3 3.091 32.149 -1.782 1.00 0.00 O ATOM 23 CB SER A 3 2.202 34.913 -1.007 1.00 0.00 C ATOM 24 OG SER A 3 2.305 34.885 -2.420 1.00 0.00 O ATOM 0 H SER A 3 4.595 34.928 -1.771 1.00 0.00 H new ATOM 0 HA SER A 3 3.283 34.231 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.225 34.536 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.271 35.942 -0.655 1.00 0.00 H new ATOM 0 HG SER A 3 2.730 34.048 -2.700 1.00 0.00 H new ATOM 30 N GLY A 4 2.811 31.831 0.428 1.00 0.00 N ATOM 31 CA GLY A 4 2.563 30.409 0.280 1.00 0.00 C ATOM 32 C GLY A 4 3.177 29.594 1.402 1.00 0.00 C ATOM 33 O GLY A 4 4.304 29.114 1.284 1.00 0.00 O ATOM 0 H GLY A 4 2.778 32.174 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.488 30.232 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.967 30.070 -0.674 1.00 0.00 H new ATOM 37 N SER A 5 2.434 29.438 2.493 1.00 0.00 N ATOM 38 CA SER A 5 2.914 28.680 3.642 1.00 0.00 C ATOM 39 C SER A 5 3.599 27.392 3.196 1.00 0.00 C ATOM 40 O SER A 5 2.954 26.480 2.679 1.00 0.00 O ATOM 41 CB SER A 5 1.754 28.355 4.586 1.00 0.00 C ATOM 42 OG SER A 5 2.198 27.597 5.697 1.00 0.00 O ATOM 0 H SER A 5 1.498 29.826 2.605 1.00 0.00 H new ATOM 0 HA SER A 5 3.643 29.293 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.294 29.280 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.986 27.800 4.046 1.00 0.00 H new ATOM 0 HG SER A 5 1.439 27.404 6.286 1.00 0.00 H new ATOM 48 N SER A 6 4.910 27.325 3.401 1.00 0.00 N ATOM 49 CA SER A 6 5.685 26.151 3.017 1.00 0.00 C ATOM 50 C SER A 6 5.000 24.871 3.487 1.00 0.00 C ATOM 51 O SER A 6 4.213 24.885 4.432 1.00 0.00 O ATOM 52 CB SER A 6 7.096 26.231 3.602 1.00 0.00 C ATOM 53 OG SER A 6 7.869 27.214 2.936 1.00 0.00 O ATOM 0 H SER A 6 5.458 28.070 3.831 1.00 0.00 H new ATOM 0 HA SER A 6 5.751 26.130 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.040 26.467 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.584 25.260 3.516 1.00 0.00 H new ATOM 0 HG SER A 6 8.766 27.247 3.330 1.00 0.00 H new ATOM 59 N GLY A 7 5.306 23.763 2.817 1.00 0.00 N ATOM 60 CA GLY A 7 4.712 22.490 3.179 1.00 0.00 C ATOM 61 C GLY A 7 5.713 21.541 3.810 1.00 0.00 C ATOM 62 O GLY A 7 6.837 21.932 4.124 1.00 0.00 O ATOM 0 H GLY A 7 5.954 23.725 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.890 22.661 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.286 22.025 2.290 1.00 0.00 H new ATOM 66 N LYS A 8 5.304 20.291 3.998 1.00 0.00 N ATOM 67 CA LYS A 8 6.171 19.283 4.595 1.00 0.00 C ATOM 68 C LYS A 8 6.142 17.991 3.786 1.00 0.00 C ATOM 69 O LYS A 8 5.165 17.243 3.827 1.00 0.00 O ATOM 70 CB LYS A 8 5.744 19.004 6.038 1.00 0.00 C ATOM 71 CG LYS A 8 6.522 17.877 6.695 1.00 0.00 C ATOM 72 CD LYS A 8 7.927 18.316 7.075 1.00 0.00 C ATOM 73 CE LYS A 8 8.719 17.175 7.694 1.00 0.00 C ATOM 74 NZ LYS A 8 9.778 17.672 8.616 1.00 0.00 N ATOM 0 H LYS A 8 4.376 19.952 3.745 1.00 0.00 H new ATOM 0 HA LYS A 8 7.190 19.669 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.869 19.912 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.682 18.758 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.992 17.539 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.577 17.027 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.447 18.683 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.872 19.146 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.042 16.517 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.176 16.579 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.296 16.864 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.438 18.280 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.340 18.219 9.384 1.00 0.00 H new ATOM 88 N VAL A 9 7.219 17.733 3.052 1.00 0.00 N ATOM 89 CA VAL A 9 7.318 16.529 2.235 1.00 0.00 C ATOM 90 C VAL A 9 7.895 15.368 3.036 1.00 0.00 C ATOM 91 O VAL A 9 8.844 15.538 3.801 1.00 0.00 O ATOM 92 CB VAL A 9 8.193 16.766 0.990 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.329 15.485 0.181 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.615 17.885 0.137 1.00 0.00 C ATOM 0 H VAL A 9 8.036 18.342 3.006 1.00 0.00 H new ATOM 0 HA VAL A 9 6.306 16.279 1.916 1.00 0.00 H new ATOM 0 HB VAL A 9 9.187 17.068 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.951 15.672 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.792 14.713 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.342 15.150 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.246 18.039 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.609 17.615 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.575 18.804 0.721 1.00 0.00 H new ATOM 104 N VAL A 10 7.317 14.185 2.853 1.00 0.00 N ATOM 105 CA VAL A 10 7.775 12.993 3.557 1.00 0.00 C ATOM 106 C VAL A 10 8.287 11.940 2.580 1.00 0.00 C ATOM 107 O VAL A 10 9.205 11.182 2.893 1.00 0.00 O ATOM 108 CB VAL A 10 6.650 12.380 4.413 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.121 11.091 5.069 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.173 13.376 5.458 1.00 0.00 C ATOM 0 H VAL A 10 6.531 14.027 2.223 1.00 0.00 H new ATOM 0 HA VAL A 10 8.590 13.305 4.210 1.00 0.00 H new ATOM 0 HB VAL A 10 5.809 12.142 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.313 10.672 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.410 10.375 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.978 11.301 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.378 12.926 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.005 13.647 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.794 14.270 4.962 1.00 0.00 H new ATOM 120 N PHE A 11 7.688 11.900 1.395 1.00 0.00 N ATOM 121 CA PHE A 11 8.083 10.940 0.371 1.00 0.00 C ATOM 122 C PHE A 11 8.929 11.611 -0.707 1.00 0.00 C ATOM 123 O PHE A 11 9.168 12.817 -0.661 1.00 0.00 O ATOM 124 CB PHE A 11 6.846 10.299 -0.262 1.00 0.00 C ATOM 125 CG PHE A 11 6.149 9.321 0.641 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.815 8.203 1.118 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.829 9.519 1.012 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.177 7.301 1.949 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.187 8.621 1.843 1.00 0.00 C ATOM 130 CZ PHE A 11 4.861 7.510 2.311 1.00 0.00 C ATOM 0 H PHE A 11 6.927 12.521 1.120 1.00 0.00 H new ATOM 0 HA PHE A 11 8.682 10.164 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.144 11.084 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.140 9.789 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.844 8.035 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.296 10.385 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.707 6.434 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.158 8.788 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.360 6.806 2.959 1.00 0.00 H new ATOM 140 N ALA A 12 9.379 10.820 -1.675 1.00 0.00 N ATOM 141 CA ALA A 12 10.198 11.337 -2.765 1.00 0.00 C ATOM 142 C ALA A 12 9.426 12.357 -3.595 1.00 0.00 C ATOM 143 O ALA A 12 8.236 12.583 -3.371 1.00 0.00 O ATOM 144 CB ALA A 12 10.683 10.196 -3.647 1.00 0.00 C ATOM 0 H ALA A 12 9.191 9.819 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 12 11.062 11.839 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.293 10.596 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.279 9.504 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.825 9.669 -4.065 1.00 0.00 H new ATOM 150 N LYS A 13 10.110 12.973 -4.552 1.00 0.00 N ATOM 151 CA LYS A 13 9.490 13.971 -5.417 1.00 0.00 C ATOM 152 C LYS A 13 9.385 13.459 -6.850 1.00 0.00 C ATOM 153 O LYS A 13 8.604 13.977 -7.647 1.00 0.00 O ATOM 154 CB LYS A 13 10.293 15.273 -5.386 1.00 0.00 C ATOM 155 CG LYS A 13 11.756 15.094 -5.751 1.00 0.00 C ATOM 156 CD LYS A 13 12.602 14.782 -4.528 1.00 0.00 C ATOM 157 CE LYS A 13 13.862 14.016 -4.902 1.00 0.00 C ATOM 158 NZ LYS A 13 13.642 12.543 -4.879 1.00 0.00 N ATOM 0 H LYS A 13 11.096 12.799 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 13 8.484 14.164 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.840 15.986 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.227 15.707 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.854 14.288 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.126 16.001 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.875 15.711 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.016 14.197 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.190 14.319 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.663 14.275 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.523 12.056 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.354 12.250 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.895 12.293 -5.558 1.00 0.00 H new ATOM 172 N GLU A 14 10.177 12.440 -7.169 1.00 0.00 N ATOM 173 CA GLU A 14 10.171 11.859 -8.506 1.00 0.00 C ATOM 174 C GLU A 14 9.462 10.508 -8.510 1.00 0.00 C ATOM 175 O GLU A 14 9.864 9.586 -9.220 1.00 0.00 O ATOM 176 CB GLU A 14 11.603 11.696 -9.022 1.00 0.00 C ATOM 177 CG GLU A 14 12.312 13.016 -9.274 1.00 0.00 C ATOM 178 CD GLU A 14 13.664 12.835 -9.937 1.00 0.00 C ATOM 179 OE1 GLU A 14 13.710 12.257 -11.043 1.00 0.00 O ATOM 180 OE2 GLU A 14 14.676 13.271 -9.349 1.00 0.00 O ATOM 0 H GLU A 14 10.830 12.000 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 14 9.629 12.537 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.177 11.117 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.584 11.121 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.684 13.647 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.443 13.540 -8.327 1.00 0.00 H new ATOM 187 N GLN A 15 8.405 10.399 -7.711 1.00 0.00 N ATOM 188 CA GLN A 15 7.640 9.161 -7.622 1.00 0.00 C ATOM 189 C GLN A 15 6.157 9.417 -7.873 1.00 0.00 C ATOM 190 O GLN A 15 5.616 10.467 -7.525 1.00 0.00 O ATOM 191 CB GLN A 15 7.832 8.516 -6.248 1.00 0.00 C ATOM 192 CG GLN A 15 7.477 9.434 -5.090 1.00 0.00 C ATOM 193 CD GLN A 15 7.209 8.676 -3.805 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.297 9.014 -3.049 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.003 7.643 -3.550 1.00 0.00 N ATOM 0 H GLN A 15 8.059 11.152 -7.117 1.00 0.00 H new ATOM 0 HA GLN A 15 8.008 8.481 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.219 7.617 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.870 8.201 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.292 10.140 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.596 10.019 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.747 7.398 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.869 7.095 -2.700 1.00 0.00 H new ATOM 204 N PRO A 16 5.483 8.437 -8.491 1.00 0.00 N ATOM 205 CA PRO A 16 4.054 8.533 -8.803 1.00 0.00 C ATOM 206 C PRO A 16 3.183 8.476 -7.552 1.00 0.00 C ATOM 207 O PRO A 16 3.514 7.791 -6.585 1.00 0.00 O ATOM 208 CB PRO A 16 3.800 7.309 -9.687 1.00 0.00 C ATOM 209 CG PRO A 16 4.859 6.336 -9.299 1.00 0.00 C ATOM 210 CD PRO A 16 6.064 7.158 -8.934 1.00 0.00 C ATOM 0 HA PRO A 16 3.804 9.480 -9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.804 6.899 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.865 7.564 -10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.536 5.723 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.085 5.657 -10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.648 6.686 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.731 7.293 -9.785 1.00 0.00 H new ATOM 218 N ALA A 17 2.069 9.200 -7.579 1.00 0.00 N ATOM 219 CA ALA A 17 1.150 9.230 -6.448 1.00 0.00 C ATOM 220 C ALA A 17 0.487 7.872 -6.244 1.00 0.00 C ATOM 221 O ALA A 17 0.313 7.419 -5.112 1.00 0.00 O ATOM 222 CB ALA A 17 0.096 10.308 -6.653 1.00 0.00 C ATOM 0 H ALA A 17 1.781 9.774 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 17 1.724 9.464 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.584 10.319 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.582 11.280 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.466 10.099 -7.563 1.00 0.00 H new ATOM 228 N HIS A 18 0.119 7.226 -7.346 1.00 0.00 N ATOM 229 CA HIS A 18 -0.525 5.919 -7.287 1.00 0.00 C ATOM 230 C HIS A 18 -0.083 5.042 -8.454 1.00 0.00 C ATOM 231 O HIS A 18 -0.233 5.418 -9.617 1.00 0.00 O ATOM 232 CB HIS A 18 -2.046 6.075 -7.299 1.00 0.00 C ATOM 233 CG HIS A 18 -2.765 4.892 -7.869 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.525 3.597 -7.460 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.725 4.813 -8.820 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.304 2.772 -8.137 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.043 3.485 -8.968 1.00 0.00 N ATOM 0 H HIS A 18 0.256 7.586 -8.290 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.224 5.435 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.394 6.245 -6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.307 6.962 -7.877 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.851 3.319 -6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.160 5.640 -9.362 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.332 1.698 -8.029 1.00 0.00 H new ATOM 246 N ARG A 19 0.463 3.873 -8.137 1.00 0.00 N ATOM 247 CA ARG A 19 0.929 2.944 -9.159 1.00 0.00 C ATOM 248 C ARG A 19 -0.010 1.747 -9.275 1.00 0.00 C ATOM 249 O ARG A 19 -0.949 1.606 -8.493 1.00 0.00 O ATOM 250 CB ARG A 19 2.346 2.465 -8.836 1.00 0.00 C ATOM 251 CG ARG A 19 3.281 3.581 -8.398 1.00 0.00 C ATOM 252 CD ARG A 19 4.667 3.049 -8.070 1.00 0.00 C ATOM 253 NE ARG A 19 5.536 3.027 -9.244 1.00 0.00 N ATOM 254 CZ ARG A 19 5.585 2.016 -10.104 1.00 0.00 C ATOM 255 NH1 ARG A 19 4.818 0.950 -9.923 1.00 0.00 N ATOM 256 NH2 ARG A 19 6.402 2.071 -11.148 1.00 0.00 N ATOM 0 H ARG A 19 0.594 3.546 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 19 0.939 3.470 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.296 1.714 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.765 1.976 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.354 4.327 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.866 4.083 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.119 3.668 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.582 2.041 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 19 6.138 3.833 -9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.188 0.905 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.858 0.175 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.993 2.890 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.439 1.294 -11.808 1.00 0.00 H new ATOM 270 N GLU A 20 0.251 0.889 -10.256 1.00 0.00 N ATOM 271 CA GLU A 20 -0.572 -0.295 -10.474 1.00 0.00 C ATOM 272 C GLU A 20 0.281 -1.560 -10.462 1.00 0.00 C ATOM 273 O GLU A 20 0.947 -1.882 -11.446 1.00 0.00 O ATOM 274 CB GLU A 20 -1.322 -0.184 -11.803 1.00 0.00 C ATOM 275 CG GLU A 20 -2.275 0.998 -11.868 1.00 0.00 C ATOM 276 CD GLU A 20 -2.938 1.139 -13.225 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.265 0.100 -13.835 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.129 2.287 -13.676 1.00 0.00 O ATOM 0 H GLU A 20 1.025 0.991 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.296 -0.358 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.598 -0.101 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.884 -1.103 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.043 0.883 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.729 1.913 -11.638 1.00 0.00 H new ATOM 285 N VAL A 21 0.255 -2.274 -9.341 1.00 0.00 N ATOM 286 CA VAL A 21 1.024 -3.504 -9.200 1.00 0.00 C ATOM 287 C VAL A 21 0.121 -4.729 -9.285 1.00 0.00 C ATOM 288 O VAL A 21 -0.975 -4.744 -8.726 1.00 0.00 O ATOM 289 CB VAL A 21 1.791 -3.536 -7.865 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.851 -4.627 -7.884 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.416 -2.179 -7.577 1.00 0.00 C ATOM 0 H VAL A 21 -0.291 -2.021 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 21 1.740 -3.526 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 21 1.085 -3.762 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.383 -4.634 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.374 -5.595 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.557 -4.435 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.954 -2.220 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.109 -1.921 -8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.633 -1.423 -7.517 1.00 0.00 H new ATOM 301 N GLN A 22 0.591 -5.756 -9.986 1.00 0.00 N ATOM 302 CA GLN A 22 -0.175 -6.987 -10.143 1.00 0.00 C ATOM 303 C GLN A 22 0.635 -8.195 -9.683 1.00 0.00 C ATOM 304 O GLN A 22 1.817 -8.076 -9.362 1.00 0.00 O ATOM 305 CB GLN A 22 -0.597 -7.167 -11.603 1.00 0.00 C ATOM 306 CG GLN A 22 0.459 -7.842 -12.463 1.00 0.00 C ATOM 307 CD GLN A 22 0.089 -7.862 -13.933 1.00 0.00 C ATOM 308 OE1 GLN A 22 0.526 -7.010 -14.706 1.00 0.00 O ATOM 309 NE2 GLN A 22 -0.720 -8.838 -14.327 1.00 0.00 N ATOM 0 H GLN A 22 1.497 -5.760 -10.454 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.067 -6.912 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.513 -7.757 -11.638 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.830 -6.191 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.409 -7.323 -12.339 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.606 -8.865 -12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.059 -9.523 -13.652 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.003 -8.902 -15.305 1.00 0.00 H new ATOM 318 N ALA A 23 -0.010 -9.357 -9.654 1.00 0.00 N ATOM 319 CA ALA A 23 0.651 -10.586 -9.235 1.00 0.00 C ATOM 320 C ALA A 23 -0.241 -11.799 -9.478 1.00 0.00 C ATOM 321 O ALA A 23 -1.357 -11.669 -9.980 1.00 0.00 O ATOM 322 CB ALA A 23 1.042 -10.502 -7.767 1.00 0.00 C ATOM 0 H ALA A 23 -0.989 -9.472 -9.916 1.00 0.00 H new ATOM 0 HA ALA A 23 1.554 -10.705 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.535 -11.427 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.723 -9.664 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.149 -10.355 -7.160 1.00 0.00 H new ATOM 328 N GLU A 24 0.260 -12.977 -9.120 1.00 0.00 N ATOM 329 CA GLU A 24 -0.493 -14.213 -9.301 1.00 0.00 C ATOM 330 C GLU A 24 -0.980 -14.755 -7.960 1.00 0.00 C ATOM 331 O GLU A 24 -0.546 -14.303 -6.902 1.00 0.00 O ATOM 332 CB GLU A 24 0.370 -15.263 -10.005 1.00 0.00 C ATOM 333 CG GLU A 24 0.266 -15.220 -11.520 1.00 0.00 C ATOM 334 CD GLU A 24 -0.844 -16.104 -12.054 1.00 0.00 C ATOM 335 OE1 GLU A 24 -1.833 -16.322 -11.323 1.00 0.00 O ATOM 336 OE2 GLU A 24 -0.723 -16.578 -13.203 1.00 0.00 O ATOM 0 H GLU A 24 1.183 -13.102 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.362 -13.992 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.411 -15.118 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.078 -16.254 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.092 -14.192 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.215 -15.533 -11.955 1.00 0.00 H new ATOM 343 N ALA A 25 -1.886 -15.726 -8.016 1.00 0.00 N ATOM 344 CA ALA A 25 -2.432 -16.331 -6.807 1.00 0.00 C ATOM 345 C ALA A 25 -1.427 -17.283 -6.167 1.00 0.00 C ATOM 346 O ALA A 25 -1.034 -18.282 -6.768 1.00 0.00 O ATOM 347 CB ALA A 25 -3.728 -17.062 -7.122 1.00 0.00 C ATOM 0 H ALA A 25 -2.257 -16.110 -8.885 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.642 -15.533 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.125 -17.509 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.454 -16.357 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.535 -17.845 -7.856 1.00 0.00 H new ATOM 353 N GLY A 26 -1.014 -16.966 -4.944 1.00 0.00 N ATOM 354 CA GLY A 26 -0.057 -17.803 -4.244 1.00 0.00 C ATOM 355 C GLY A 26 1.353 -17.252 -4.310 1.00 0.00 C ATOM 356 O GLY A 26 2.217 -17.643 -3.526 1.00 0.00 O ATOM 0 H GLY A 26 -1.325 -16.145 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.358 -17.899 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.073 -18.805 -4.674 1.00 0.00 H new ATOM 360 N ALA A 27 1.588 -16.342 -5.249 1.00 0.00 N ATOM 361 CA ALA A 27 2.903 -15.736 -5.415 1.00 0.00 C ATOM 362 C ALA A 27 3.173 -14.703 -4.326 1.00 0.00 C ATOM 363 O ALA A 27 2.280 -14.352 -3.555 1.00 0.00 O ATOM 364 CB ALA A 27 3.021 -15.098 -6.791 1.00 0.00 C ATOM 0 H ALA A 27 0.884 -16.008 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 27 3.652 -16.523 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.008 -14.649 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.881 -15.859 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.258 -14.327 -6.901 1.00 0.00 H new ATOM 370 N SER A 28 4.410 -14.220 -4.268 1.00 0.00 N ATOM 371 CA SER A 28 4.798 -13.231 -3.270 1.00 0.00 C ATOM 372 C SER A 28 5.018 -11.866 -3.915 1.00 0.00 C ATOM 373 O SER A 28 6.046 -11.625 -4.548 1.00 0.00 O ATOM 374 CB SER A 28 6.070 -13.676 -2.547 1.00 0.00 C ATOM 375 OG SER A 28 6.188 -13.043 -1.285 1.00 0.00 O ATOM 0 H SER A 28 5.160 -14.498 -4.901 1.00 0.00 H new ATOM 0 HA SER A 28 3.988 -13.146 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.057 -14.758 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.941 -13.440 -3.158 1.00 0.00 H new ATOM 0 HG SER A 28 7.077 -13.218 -0.913 1.00 0.00 H new ATOM 381 N ALA A 29 4.045 -10.976 -3.750 1.00 0.00 N ATOM 382 CA ALA A 29 4.132 -9.635 -4.314 1.00 0.00 C ATOM 383 C ALA A 29 5.112 -8.771 -3.528 1.00 0.00 C ATOM 384 O ALA A 29 5.684 -9.213 -2.530 1.00 0.00 O ATOM 385 CB ALA A 29 2.757 -8.984 -4.342 1.00 0.00 C ATOM 0 H ALA A 29 3.187 -11.160 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 29 4.502 -9.721 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.837 -7.983 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.083 -9.584 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.365 -8.918 -3.327 1.00 0.00 H new ATOM 391 N THR A 30 5.304 -7.537 -3.984 1.00 0.00 N ATOM 392 CA THR A 30 6.217 -6.612 -3.324 1.00 0.00 C ATOM 393 C THR A 30 5.935 -5.172 -3.738 1.00 0.00 C ATOM 394 O THR A 30 6.193 -4.782 -4.878 1.00 0.00 O ATOM 395 CB THR A 30 7.686 -6.948 -3.644 1.00 0.00 C ATOM 396 OG1 THR A 30 7.949 -8.324 -3.347 1.00 0.00 O ATOM 397 CG2 THR A 30 8.630 -6.062 -2.846 1.00 0.00 C ATOM 0 H THR A 30 4.839 -7.155 -4.808 1.00 0.00 H new ATOM 0 HA THR A 30 6.053 -6.718 -2.252 1.00 0.00 H new ATOM 0 HB THR A 30 7.855 -6.767 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.250 -8.670 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.661 -6.318 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.447 -5.017 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.459 -6.215 -1.780 1.00 0.00 H new ATOM 405 N LEU A 31 5.406 -4.387 -2.807 1.00 0.00 N ATOM 406 CA LEU A 31 5.090 -2.988 -3.075 1.00 0.00 C ATOM 407 C LEU A 31 6.187 -2.071 -2.546 1.00 0.00 C ATOM 408 O LEU A 31 6.199 -1.716 -1.368 1.00 0.00 O ATOM 409 CB LEU A 31 3.749 -2.617 -2.440 1.00 0.00 C ATOM 410 CG LEU A 31 2.603 -3.605 -2.665 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.413 -3.250 -1.787 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.199 -3.626 -4.132 1.00 0.00 C ATOM 0 H LEU A 31 5.187 -4.695 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 31 5.022 -2.857 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.898 -2.502 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.444 -1.644 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 31 2.947 -4.602 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.607 -3.963 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.710 -3.286 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.067 -2.246 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.383 -4.334 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.873 -2.631 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.052 -3.928 -4.740 1.00 0.00 H new ATOM 424 N SER A 32 7.107 -1.688 -3.427 1.00 0.00 N ATOM 425 CA SER A 32 8.210 -0.812 -3.048 1.00 0.00 C ATOM 426 C SER A 32 7.846 0.651 -3.281 1.00 0.00 C ATOM 427 O SER A 32 7.084 0.975 -4.192 1.00 0.00 O ATOM 428 CB SER A 32 9.468 -1.170 -3.842 1.00 0.00 C ATOM 429 OG SER A 32 10.520 -0.262 -3.565 1.00 0.00 O ATOM 0 H SER A 32 7.110 -1.970 -4.407 1.00 0.00 H new ATOM 0 HA SER A 32 8.407 -0.954 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.783 -2.183 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.244 -1.158 -4.909 1.00 0.00 H new ATOM 0 HG SER A 32 11.313 -0.513 -4.083 1.00 0.00 H new ATOM 435 N CYS A 33 8.398 1.530 -2.452 1.00 0.00 N ATOM 436 CA CYS A 33 8.132 2.960 -2.565 1.00 0.00 C ATOM 437 C CYS A 33 9.261 3.774 -1.943 1.00 0.00 C ATOM 438 O CYS A 33 9.725 3.470 -0.845 1.00 0.00 O ATOM 439 CB CYS A 33 6.804 3.308 -1.891 1.00 0.00 C ATOM 440 SG CYS A 33 6.739 2.897 -0.132 1.00 0.00 S ATOM 0 H CYS A 33 9.033 1.278 -1.694 1.00 0.00 H new ATOM 0 HA CYS A 33 8.070 3.210 -3.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.617 4.375 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.999 2.783 -2.406 1.00 0.00 H new ATOM 0 HG CYS A 33 7.314 1.748 0.067 1.00 0.00 H new ATOM 446 N GLU A 34 9.698 4.809 -2.653 1.00 0.00 N ATOM 447 CA GLU A 34 10.775 5.666 -2.170 1.00 0.00 C ATOM 448 C GLU A 34 10.267 6.627 -1.099 1.00 0.00 C ATOM 449 O GLU A 34 9.064 6.853 -0.972 1.00 0.00 O ATOM 450 CB GLU A 34 11.389 6.454 -3.329 1.00 0.00 C ATOM 451 CG GLU A 34 12.067 5.578 -4.369 1.00 0.00 C ATOM 452 CD GLU A 34 12.905 6.377 -5.348 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.932 6.947 -4.922 1.00 0.00 O ATOM 454 OE2 GLU A 34 12.535 6.433 -6.539 1.00 0.00 O ATOM 0 H GLU A 34 9.323 5.075 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 34 11.541 5.029 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.608 7.040 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.117 7.161 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.701 4.847 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.309 5.019 -4.917 1.00 0.00 H new ATOM 461 N VAL A 35 11.194 7.190 -0.330 1.00 0.00 N ATOM 462 CA VAL A 35 10.842 8.128 0.730 1.00 0.00 C ATOM 463 C VAL A 35 11.786 9.324 0.741 1.00 0.00 C ATOM 464 O VAL A 35 12.862 9.285 0.145 1.00 0.00 O ATOM 465 CB VAL A 35 10.873 7.449 2.112 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.662 6.547 2.292 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.164 6.665 2.291 1.00 0.00 C ATOM 0 H VAL A 35 12.194 7.013 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 35 9.828 8.472 0.525 1.00 0.00 H new ATOM 0 HB VAL A 35 10.836 8.223 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.702 6.076 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.751 7.140 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.664 5.777 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.169 6.192 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.235 5.899 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.015 7.342 2.210 1.00 0.00 H new ATOM 477 N ALA A 36 11.376 10.388 1.425 1.00 0.00 N ATOM 478 CA ALA A 36 12.187 11.596 1.516 1.00 0.00 C ATOM 479 C ALA A 36 13.254 11.460 2.598 1.00 0.00 C ATOM 480 O ALA A 36 14.279 12.140 2.558 1.00 0.00 O ATOM 481 CB ALA A 36 11.304 12.804 1.792 1.00 0.00 C ATOM 0 H ALA A 36 10.488 10.438 1.924 1.00 0.00 H new ATOM 0 HA ALA A 36 12.692 11.739 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.922 13.699 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.583 12.920 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.774 12.660 2.733 1.00 0.00 H new ATOM 487 N GLN A 37 13.005 10.579 3.561 1.00 0.00 N ATOM 488 CA GLN A 37 13.944 10.357 4.653 1.00 0.00 C ATOM 489 C GLN A 37 13.854 8.923 5.166 1.00 0.00 C ATOM 490 O GLN A 37 12.764 8.413 5.421 1.00 0.00 O ATOM 491 CB GLN A 37 13.673 11.337 5.796 1.00 0.00 C ATOM 492 CG GLN A 37 13.911 12.791 5.419 1.00 0.00 C ATOM 493 CD GLN A 37 13.615 13.745 6.560 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.451 13.959 7.437 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.420 14.324 6.552 1.00 0.00 N ATOM 0 H GLN A 37 12.161 10.008 3.607 1.00 0.00 H new ATOM 0 HA GLN A 37 14.951 10.525 4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.641 11.220 6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.310 11.081 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.947 12.916 5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.286 13.048 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.758 14.117 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.164 14.976 7.294 1.00 0.00 H new ATOM 504 N ALA A 38 15.007 8.279 5.314 1.00 0.00 N ATOM 505 CA ALA A 38 15.057 6.905 5.798 1.00 0.00 C ATOM 506 C ALA A 38 14.548 6.809 7.232 1.00 0.00 C ATOM 507 O ALA A 38 13.537 6.160 7.498 1.00 0.00 O ATOM 508 CB ALA A 38 16.476 6.364 5.702 1.00 0.00 C ATOM 0 H ALA A 38 15.919 8.687 5.106 1.00 0.00 H new ATOM 0 HA ALA A 38 14.405 6.300 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.499 5.337 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.805 6.388 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.142 6.979 6.307 1.00 0.00 H new ATOM 514 N GLN A 39 15.256 7.457 8.151 1.00 0.00 N ATOM 515 CA GLN A 39 14.876 7.442 9.559 1.00 0.00 C ATOM 516 C GLN A 39 13.358 7.451 9.712 1.00 0.00 C ATOM 517 O GLN A 39 12.807 6.778 10.584 1.00 0.00 O ATOM 518 CB GLN A 39 15.481 8.644 10.285 1.00 0.00 C ATOM 519 CG GLN A 39 14.895 9.977 9.849 1.00 0.00 C ATOM 520 CD GLN A 39 15.768 11.154 10.238 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.974 11.008 10.437 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.162 12.331 10.348 1.00 0.00 N ATOM 0 H GLN A 39 16.096 7.999 7.946 1.00 0.00 H new ATOM 0 HA GLN A 39 15.263 6.526 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.330 8.524 11.358 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.557 8.657 10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.758 9.973 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.908 10.099 10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.160 12.407 10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.699 13.159 10.606 1.00 0.00 H new ATOM 531 N THR A 40 12.687 8.220 8.861 1.00 0.00 N ATOM 532 CA THR A 40 11.233 8.319 8.902 1.00 0.00 C ATOM 533 C THR A 40 10.587 6.939 8.846 1.00 0.00 C ATOM 534 O THR A 40 11.115 6.022 8.218 1.00 0.00 O ATOM 535 CB THR A 40 10.694 9.174 7.740 1.00 0.00 C ATOM 536 OG1 THR A 40 11.227 10.501 7.820 1.00 0.00 O ATOM 537 CG2 THR A 40 9.174 9.229 7.768 1.00 0.00 C ATOM 0 H THR A 40 13.127 8.784 8.134 1.00 0.00 H new ATOM 0 HA THR A 40 10.975 8.800 9.846 1.00 0.00 H new ATOM 0 HB THR A 40 11.007 8.713 6.803 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.763 11.079 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.817 9.838 6.938 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.772 8.220 7.677 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.843 9.668 8.709 1.00 0.00 H new ATOM 545 N GLU A 41 9.441 6.800 9.505 1.00 0.00 N ATOM 546 CA GLU A 41 8.723 5.531 9.528 1.00 0.00 C ATOM 547 C GLU A 41 7.426 5.625 8.729 1.00 0.00 C ATOM 548 O GLU A 41 6.876 6.710 8.542 1.00 0.00 O ATOM 549 CB GLU A 41 8.418 5.119 10.970 1.00 0.00 C ATOM 550 CG GLU A 41 9.508 4.271 11.604 1.00 0.00 C ATOM 551 CD GLU A 41 9.330 2.790 11.328 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.969 2.438 10.186 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.552 1.984 12.256 1.00 0.00 O ATOM 0 H GLU A 41 8.990 7.550 10.030 1.00 0.00 H new ATOM 0 HA GLU A 41 9.359 4.774 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.271 6.016 11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.480 4.564 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.479 4.593 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.513 4.438 12.681 1.00 0.00 H new ATOM 560 N VAL A 42 6.943 4.478 8.261 1.00 0.00 N ATOM 561 CA VAL A 42 5.711 4.430 7.483 1.00 0.00 C ATOM 562 C VAL A 42 4.794 3.315 7.974 1.00 0.00 C ATOM 563 O VAL A 42 5.248 2.342 8.577 1.00 0.00 O ATOM 564 CB VAL A 42 6.001 4.218 5.985 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.030 5.224 5.493 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.470 2.794 5.730 1.00 0.00 C ATOM 0 H VAL A 42 7.386 3.571 8.407 1.00 0.00 H new ATOM 0 HA VAL A 42 5.214 5.391 7.617 1.00 0.00 H new ATOM 0 HB VAL A 42 5.078 4.377 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.222 5.059 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.650 6.235 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.957 5.100 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.670 2.662 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.381 2.604 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.695 2.094 6.043 1.00 0.00 H new ATOM 576 N THR A 43 3.499 3.463 7.713 1.00 0.00 N ATOM 577 CA THR A 43 2.517 2.469 8.129 1.00 0.00 C ATOM 578 C THR A 43 1.528 2.170 7.008 1.00 0.00 C ATOM 579 O THR A 43 0.688 3.004 6.669 1.00 0.00 O ATOM 580 CB THR A 43 1.738 2.936 9.373 1.00 0.00 C ATOM 581 OG1 THR A 43 2.652 3.317 10.408 1.00 0.00 O ATOM 582 CG2 THR A 43 0.820 1.835 9.881 1.00 0.00 C ATOM 0 H THR A 43 3.106 4.262 7.215 1.00 0.00 H new ATOM 0 HA THR A 43 3.070 1.562 8.374 1.00 0.00 H new ATOM 0 HB THR A 43 1.128 3.795 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.149 3.614 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.280 2.188 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.107 1.567 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.413 0.960 10.147 1.00 0.00 H new ATOM 590 N TRP A 44 1.633 0.976 6.436 1.00 0.00 N ATOM 591 CA TRP A 44 0.747 0.568 5.352 1.00 0.00 C ATOM 592 C TRP A 44 -0.698 0.484 5.833 1.00 0.00 C ATOM 593 O TRP A 44 -0.956 0.303 7.023 1.00 0.00 O ATOM 594 CB TRP A 44 1.188 -0.783 4.786 1.00 0.00 C ATOM 595 CG TRP A 44 2.518 -0.733 4.097 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.749 -0.831 4.682 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.751 -0.570 2.694 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.732 -0.739 3.726 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.146 -0.579 2.499 1.00 0.00 C ATOM 600 CE3 TRP A 44 1.916 -0.419 1.583 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.722 -0.442 1.239 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.489 -0.282 0.333 1.00 0.00 C ATOM 603 CH2 TRP A 44 3.881 -0.295 0.169 1.00 0.00 C ATOM 0 H TRP A 44 2.322 0.274 6.705 1.00 0.00 H new ATOM 0 HA TRP A 44 0.806 1.320 4.565 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.234 -1.511 5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.435 -1.137 4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.924 -0.962 5.740 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.736 -0.783 3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.842 -0.410 1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.794 -0.451 1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.854 -0.163 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.298 -0.187 -0.821 1.00 0.00 H new ATOM 614 N TYR A 45 -1.635 0.616 4.901 1.00 0.00 N ATOM 615 CA TYR A 45 -3.054 0.557 5.231 1.00 0.00 C ATOM 616 C TYR A 45 -3.862 -0.003 4.064 1.00 0.00 C ATOM 617 O TYR A 45 -3.971 0.625 3.010 1.00 0.00 O ATOM 618 CB TYR A 45 -3.571 1.948 5.602 1.00 0.00 C ATOM 619 CG TYR A 45 -3.036 2.460 6.921 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.547 1.998 8.127 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.020 3.408 6.960 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.062 2.463 9.334 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.528 3.878 8.162 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.053 3.403 9.346 1.00 0.00 C ATOM 625 OH TYR A 45 -1.566 3.870 10.546 1.00 0.00 O ATOM 0 H TYR A 45 -1.438 0.765 3.911 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.175 -0.109 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.301 2.650 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.660 1.922 5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.338 1.262 8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.608 3.783 6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.471 2.093 10.263 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.737 4.613 8.175 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.858 4.526 10.378 1.00 0.00 H new ATOM 635 N LYS A 46 -4.428 -1.189 4.260 1.00 0.00 N ATOM 636 CA LYS A 46 -5.229 -1.835 3.227 1.00 0.00 C ATOM 637 C LYS A 46 -6.711 -1.530 3.417 1.00 0.00 C ATOM 638 O LYS A 46 -7.286 -1.825 4.465 1.00 0.00 O ATOM 639 CB LYS A 46 -5.002 -3.348 3.250 1.00 0.00 C ATOM 640 CG LYS A 46 -5.290 -4.026 1.921 1.00 0.00 C ATOM 641 CD LYS A 46 -5.117 -5.533 2.015 1.00 0.00 C ATOM 642 CE LYS A 46 -5.839 -6.248 0.884 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.317 -6.221 1.065 1.00 0.00 N ATOM 0 H LYS A 46 -4.347 -1.723 5.125 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.916 -1.441 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.969 -3.548 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.635 -3.790 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.308 -3.795 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.622 -3.629 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.056 -5.781 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.500 -5.885 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.581 -5.779 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.498 -7.282 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.724 -7.117 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.541 -6.096 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.719 -5.431 0.521 1.00 0.00 H new ATOM 657 N ASP A 47 -7.324 -0.939 2.397 1.00 0.00 N ATOM 658 CA ASP A 47 -8.741 -0.597 2.451 1.00 0.00 C ATOM 659 C ASP A 47 -9.079 0.111 3.759 1.00 0.00 C ATOM 660 O ASP A 47 -10.108 -0.163 4.377 1.00 0.00 O ATOM 661 CB ASP A 47 -9.598 -1.854 2.300 1.00 0.00 C ATOM 662 CG ASP A 47 -11.029 -1.537 1.914 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.308 -1.442 0.700 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.869 -1.383 2.825 1.00 0.00 O ATOM 0 H ASP A 47 -6.862 -0.687 1.523 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.958 0.081 1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.156 -2.503 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.592 -2.409 3.238 1.00 0.00 H new ATOM 669 N GLY A 48 -8.206 1.022 4.178 1.00 0.00 N ATOM 670 CA GLY A 48 -8.429 1.753 5.411 1.00 0.00 C ATOM 671 C GLY A 48 -8.312 0.870 6.638 1.00 0.00 C ATOM 672 O GLY A 48 -9.059 1.033 7.603 1.00 0.00 O ATOM 0 H GLY A 48 -7.347 1.267 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.708 2.567 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.420 2.207 5.387 1.00 0.00 H new ATOM 676 N LYS A 49 -7.373 -0.069 6.602 1.00 0.00 N ATOM 677 CA LYS A 49 -7.160 -0.982 7.718 1.00 0.00 C ATOM 678 C LYS A 49 -5.671 -1.183 7.980 1.00 0.00 C ATOM 679 O LYS A 49 -4.941 -1.682 7.124 1.00 0.00 O ATOM 680 CB LYS A 49 -7.826 -2.331 7.435 1.00 0.00 C ATOM 681 CG LYS A 49 -9.317 -2.229 7.164 1.00 0.00 C ATOM 682 CD LYS A 49 -10.120 -2.253 8.454 1.00 0.00 C ATOM 683 CE LYS A 49 -10.302 -3.671 8.971 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.510 -3.797 9.832 1.00 0.00 N ATOM 0 H LYS A 49 -6.747 -0.218 5.811 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.611 -0.541 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.340 -2.793 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.665 -2.992 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.527 -1.308 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.629 -3.055 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.615 -1.651 9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.096 -1.798 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.384 -4.357 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.419 -3.967 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.599 -4.778 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.421 -3.161 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.355 -3.539 9.284 1.00 0.00 H new ATOM 698 N LYS A 50 -5.227 -0.792 9.170 1.00 0.00 N ATOM 699 CA LYS A 50 -3.825 -0.931 9.547 1.00 0.00 C ATOM 700 C LYS A 50 -3.286 -2.299 9.141 1.00 0.00 C ATOM 701 O LYS A 50 -3.870 -3.332 9.474 1.00 0.00 O ATOM 702 CB LYS A 50 -3.659 -0.733 11.055 1.00 0.00 C ATOM 703 CG LYS A 50 -2.210 -0.703 11.509 1.00 0.00 C ATOM 704 CD LYS A 50 -2.098 -0.420 12.998 1.00 0.00 C ATOM 705 CE LYS A 50 -2.184 1.070 13.290 1.00 0.00 C ATOM 706 NZ LYS A 50 -2.129 1.354 14.751 1.00 0.00 N ATOM 0 H LYS A 50 -5.818 -0.376 9.890 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.255 -0.165 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.141 0.200 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.178 -1.536 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.737 -1.659 11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.669 0.061 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.893 -0.943 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.153 -0.812 13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.365 1.586 12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.111 1.468 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.190 2.380 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.925 0.883 15.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.233 0.997 15.140 1.00 0.00 H new ATOM 720 N LEU A 51 -2.169 -2.300 8.422 1.00 0.00 N ATOM 721 CA LEU A 51 -1.549 -3.542 7.973 1.00 0.00 C ATOM 722 C LEU A 51 -0.463 -3.992 8.944 1.00 0.00 C ATOM 723 O LEU A 51 0.334 -3.183 9.418 1.00 0.00 O ATOM 724 CB LEU A 51 -0.956 -3.362 6.574 1.00 0.00 C ATOM 725 CG LEU A 51 -1.910 -3.602 5.404 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.254 -3.206 4.090 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.350 -5.058 5.365 1.00 0.00 C ATOM 0 H LEU A 51 -1.674 -1.455 8.137 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.320 -4.312 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.564 -2.348 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.109 -4.040 6.471 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.793 -2.980 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.948 -3.384 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.990 -2.149 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.353 -3.801 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.029 -5.211 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.476 -5.699 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.860 -5.309 6.295 1.00 0.00 H new ATOM 739 N SER A 52 -0.436 -5.289 9.235 1.00 0.00 N ATOM 740 CA SER A 52 0.551 -5.847 10.151 1.00 0.00 C ATOM 741 C SER A 52 1.420 -6.885 9.447 1.00 0.00 C ATOM 742 O SER A 52 0.922 -7.902 8.963 1.00 0.00 O ATOM 743 CB SER A 52 -0.143 -6.480 11.359 1.00 0.00 C ATOM 744 OG SER A 52 0.790 -6.785 12.381 1.00 0.00 O ATOM 0 H SER A 52 -1.087 -5.973 8.849 1.00 0.00 H new ATOM 0 HA SER A 52 1.192 -5.035 10.494 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.901 -5.798 11.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.659 -7.389 11.051 1.00 0.00 H new ATOM 0 HG SER A 52 0.322 -7.187 13.142 1.00 0.00 H new ATOM 750 N SER A 53 2.722 -6.621 9.395 1.00 0.00 N ATOM 751 CA SER A 53 3.660 -7.529 8.747 1.00 0.00 C ATOM 752 C SER A 53 3.614 -8.910 9.394 1.00 0.00 C ATOM 753 O SER A 53 4.403 -9.215 10.289 1.00 0.00 O ATOM 754 CB SER A 53 5.081 -6.966 8.821 1.00 0.00 C ATOM 755 OG SER A 53 5.570 -6.988 10.151 1.00 0.00 O ATOM 0 H SER A 53 3.151 -5.786 9.794 1.00 0.00 H new ATOM 0 HA SER A 53 3.369 -7.627 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.740 -7.549 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.090 -5.943 8.444 1.00 0.00 H new ATOM 0 HG SER A 53 5.569 -7.909 10.485 1.00 0.00 H new ATOM 761 N SER A 54 2.684 -9.741 8.935 1.00 0.00 N ATOM 762 CA SER A 54 2.531 -11.089 9.471 1.00 0.00 C ATOM 763 C SER A 54 3.174 -12.117 8.546 1.00 0.00 C ATOM 764 O SER A 54 3.601 -11.791 7.438 1.00 0.00 O ATOM 765 CB SER A 54 1.050 -11.417 9.667 1.00 0.00 C ATOM 766 OG SER A 54 0.555 -10.847 10.867 1.00 0.00 O ATOM 0 H SER A 54 2.025 -9.505 8.193 1.00 0.00 H new ATOM 0 HA SER A 54 3.035 -11.130 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.476 -11.043 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.914 -12.498 9.691 1.00 0.00 H new ATOM 0 HG SER A 54 -0.394 -11.070 10.968 1.00 0.00 H new ATOM 772 N SER A 55 3.238 -13.362 9.009 1.00 0.00 N ATOM 773 CA SER A 55 3.832 -14.439 8.225 1.00 0.00 C ATOM 774 C SER A 55 3.505 -14.277 6.744 1.00 0.00 C ATOM 775 O SER A 55 4.350 -14.513 5.880 1.00 0.00 O ATOM 776 CB SER A 55 3.331 -15.796 8.724 1.00 0.00 C ATOM 777 OG SER A 55 3.787 -16.846 7.888 1.00 0.00 O ATOM 0 H SER A 55 2.886 -13.649 9.922 1.00 0.00 H new ATOM 0 HA SER A 55 4.914 -14.391 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.677 -15.962 9.744 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.241 -15.797 8.753 1.00 0.00 H new ATOM 0 HG SER A 55 3.455 -17.703 8.228 1.00 0.00 H new ATOM 783 N LYS A 56 2.273 -13.872 6.457 1.00 0.00 N ATOM 784 CA LYS A 56 1.832 -13.676 5.081 1.00 0.00 C ATOM 785 C LYS A 56 2.540 -12.482 4.448 1.00 0.00 C ATOM 786 O LYS A 56 3.302 -12.634 3.493 1.00 0.00 O ATOM 787 CB LYS A 56 0.317 -13.468 5.034 1.00 0.00 C ATOM 788 CG LYS A 56 -0.475 -14.633 5.601 1.00 0.00 C ATOM 789 CD LYS A 56 -1.952 -14.523 5.260 1.00 0.00 C ATOM 790 CE LYS A 56 -2.270 -15.200 3.936 1.00 0.00 C ATOM 791 NZ LYS A 56 -1.573 -14.545 2.795 1.00 0.00 N ATOM 0 H LYS A 56 1.561 -13.673 7.160 1.00 0.00 H new ATOM 0 HA LYS A 56 2.087 -14.571 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.065 -12.564 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.013 -13.302 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.079 -15.569 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.352 -14.665 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.545 -14.978 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.238 -13.472 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.978 -16.249 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.346 -15.176 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.978 -14.885 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.693 -13.514 2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.560 -14.778 2.827 1.00 0.00 H new ATOM 805 N VAL A 57 2.284 -11.294 4.987 1.00 0.00 N ATOM 806 CA VAL A 57 2.899 -10.075 4.476 1.00 0.00 C ATOM 807 C VAL A 57 4.036 -9.613 5.379 1.00 0.00 C ATOM 808 O VAL A 57 3.891 -9.562 6.601 1.00 0.00 O ATOM 809 CB VAL A 57 1.867 -8.938 4.346 1.00 0.00 C ATOM 810 CG1 VAL A 57 1.189 -8.677 5.682 1.00 0.00 C ATOM 811 CG2 VAL A 57 2.531 -7.675 3.820 1.00 0.00 C ATOM 0 H VAL A 57 1.655 -11.150 5.777 1.00 0.00 H new ATOM 0 HA VAL A 57 3.296 -10.311 3.489 1.00 0.00 H new ATOM 0 HB VAL A 57 1.102 -9.244 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.464 -7.871 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.679 -9.581 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.938 -8.391 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.788 -6.882 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.317 -7.363 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.965 -7.873 2.840 1.00 0.00 H new ATOM 821 N ARG A 58 5.169 -9.276 4.770 1.00 0.00 N ATOM 822 CA ARG A 58 6.332 -8.818 5.520 1.00 0.00 C ATOM 823 C ARG A 58 6.861 -7.504 4.954 1.00 0.00 C ATOM 824 O ARG A 58 7.416 -7.467 3.855 1.00 0.00 O ATOM 825 CB ARG A 58 7.434 -9.879 5.490 1.00 0.00 C ATOM 826 CG ARG A 58 8.795 -9.356 5.922 1.00 0.00 C ATOM 827 CD ARG A 58 9.663 -10.467 6.492 1.00 0.00 C ATOM 828 NE ARG A 58 10.882 -9.948 7.105 1.00 0.00 N ATOM 829 CZ ARG A 58 11.635 -10.645 7.949 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.295 -11.884 8.277 1.00 0.00 N ATOM 831 NH2 ARG A 58 12.731 -10.104 8.466 1.00 0.00 N ATOM 0 H ARG A 58 5.306 -9.312 3.760 1.00 0.00 H new ATOM 0 HA ARG A 58 6.025 -8.651 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.149 -10.706 6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.512 -10.281 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.298 -8.901 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.665 -8.574 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.094 -11.027 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.926 -11.166 5.698 1.00 0.00 H new ATOM 0 HE ARG A 58 11.172 -8.998 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.454 -12.304 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.875 -12.417 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.997 -9.152 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.308 -10.641 9.114 1.00 0.00 H new ATOM 845 N VAL A 59 6.686 -6.426 5.711 1.00 0.00 N ATOM 846 CA VAL A 59 7.145 -5.109 5.285 1.00 0.00 C ATOM 847 C VAL A 59 8.609 -4.893 5.653 1.00 0.00 C ATOM 848 O VAL A 59 8.982 -4.962 6.824 1.00 0.00 O ATOM 849 CB VAL A 59 6.298 -3.988 5.916 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.346 -4.071 7.434 1.00 0.00 C ATOM 851 CG2 VAL A 59 6.774 -2.626 5.433 1.00 0.00 C ATOM 0 H VAL A 59 6.229 -6.439 6.623 1.00 0.00 H new ATOM 0 HA VAL A 59 7.035 -5.070 4.201 1.00 0.00 H new ATOM 0 HB VAL A 59 5.262 -4.119 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.742 -3.271 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.954 -5.035 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.377 -3.967 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.165 -1.845 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.817 -2.484 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.682 -2.572 4.348 1.00 0.00 H new ATOM 861 N GLU A 60 9.434 -4.631 4.644 1.00 0.00 N ATOM 862 CA GLU A 60 10.858 -4.405 4.862 1.00 0.00 C ATOM 863 C GLU A 60 11.210 -2.932 4.674 1.00 0.00 C ATOM 864 O GLU A 60 10.492 -2.192 4.002 1.00 0.00 O ATOM 865 CB GLU A 60 11.686 -5.265 3.905 1.00 0.00 C ATOM 866 CG GLU A 60 11.997 -6.650 4.446 1.00 0.00 C ATOM 867 CD GLU A 60 13.314 -7.196 3.929 1.00 0.00 C ATOM 868 OE1 GLU A 60 14.373 -6.738 4.406 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.285 -8.081 3.049 1.00 0.00 O ATOM 0 H GLU A 60 9.141 -4.570 3.669 1.00 0.00 H new ATOM 0 HA GLU A 60 11.092 -4.689 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.148 -5.365 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.622 -4.751 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.026 -6.613 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.192 -7.332 4.172 1.00 0.00 H new ATOM 876 N ALA A 61 12.321 -2.514 5.272 1.00 0.00 N ATOM 877 CA ALA A 61 12.770 -1.131 5.170 1.00 0.00 C ATOM 878 C ALA A 61 14.251 -1.059 4.817 1.00 0.00 C ATOM 879 O ALA A 61 15.106 -1.489 5.591 1.00 0.00 O ATOM 880 CB ALA A 61 12.499 -0.390 6.471 1.00 0.00 C ATOM 0 H ALA A 61 12.927 -3.114 5.832 1.00 0.00 H new ATOM 0 HA ALA A 61 12.209 -0.652 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.840 0.641 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.429 -0.402 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.034 -0.878 7.286 1.00 0.00 H new ATOM 886 N VAL A 62 14.549 -0.514 3.642 1.00 0.00 N ATOM 887 CA VAL A 62 15.928 -0.386 3.186 1.00 0.00 C ATOM 888 C VAL A 62 16.233 1.044 2.752 1.00 0.00 C ATOM 889 O VAL A 62 15.401 1.938 2.897 1.00 0.00 O ATOM 890 CB VAL A 62 16.223 -1.340 2.013 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.227 -2.785 2.489 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.210 -1.140 0.897 1.00 0.00 C ATOM 0 H VAL A 62 13.854 -0.154 2.988 1.00 0.00 H new ATOM 0 HA VAL A 62 16.566 -0.651 4.029 1.00 0.00 H new ATOM 0 HB VAL A 62 17.213 -1.110 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.437 -3.445 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.995 -2.915 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.252 -3.032 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.433 -1.822 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.208 -1.343 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.262 -0.112 0.539 1.00 0.00 H new ATOM 902 N GLY A 63 17.433 1.251 2.218 1.00 0.00 N ATOM 903 CA GLY A 63 17.827 2.574 1.771 1.00 0.00 C ATOM 904 C GLY A 63 16.656 3.383 1.250 1.00 0.00 C ATOM 905 O GLY A 63 16.241 3.218 0.102 1.00 0.00 O ATOM 0 H GLY A 63 18.139 0.526 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.295 3.109 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.578 2.480 0.986 1.00 0.00 H new ATOM 909 N CYS A 64 16.121 4.258 2.094 1.00 0.00 N ATOM 910 CA CYS A 64 14.988 5.094 1.713 1.00 0.00 C ATOM 911 C CYS A 64 14.057 4.347 0.764 1.00 0.00 C ATOM 912 O CYS A 64 13.687 4.860 -0.294 1.00 0.00 O ATOM 913 CB CYS A 64 15.478 6.385 1.055 1.00 0.00 C ATOM 914 SG CYS A 64 16.565 7.380 2.103 1.00 0.00 S ATOM 0 H CYS A 64 16.453 4.407 3.047 1.00 0.00 H new ATOM 0 HA CYS A 64 14.432 5.344 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.007 6.134 0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.614 6.986 0.771 1.00 0.00 H new ATOM 0 HG CYS A 64 16.929 8.449 1.459 1.00 0.00 H new ATOM 920 N THR A 65 13.680 3.131 1.147 1.00 0.00 N ATOM 921 CA THR A 65 12.795 2.312 0.329 1.00 0.00 C ATOM 922 C THR A 65 11.978 1.356 1.191 1.00 0.00 C ATOM 923 O THR A 65 12.528 0.473 1.848 1.00 0.00 O ATOM 924 CB THR A 65 13.585 1.497 -0.712 1.00 0.00 C ATOM 925 OG1 THR A 65 14.142 2.373 -1.699 1.00 0.00 O ATOM 926 CG2 THR A 65 12.690 0.469 -1.387 1.00 0.00 C ATOM 0 H THR A 65 13.974 2.692 2.019 1.00 0.00 H new ATOM 0 HA THR A 65 12.123 2.995 -0.190 1.00 0.00 H new ATOM 0 HB THR A 65 14.389 0.972 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.937 2.814 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.270 -0.094 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.290 -0.214 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.867 0.977 -1.890 1.00 0.00 H new ATOM 934 N ARG A 66 10.661 1.539 1.184 1.00 0.00 N ATOM 935 CA ARG A 66 9.768 0.693 1.967 1.00 0.00 C ATOM 936 C ARG A 66 9.017 -0.284 1.066 1.00 0.00 C ATOM 937 O ARG A 66 8.147 0.114 0.292 1.00 0.00 O ATOM 938 CB ARG A 66 8.772 1.551 2.748 1.00 0.00 C ATOM 939 CG ARG A 66 9.429 2.640 3.581 1.00 0.00 C ATOM 940 CD ARG A 66 10.158 2.059 4.783 1.00 0.00 C ATOM 941 NE ARG A 66 10.980 3.058 5.460 1.00 0.00 N ATOM 942 CZ ARG A 66 12.215 3.371 5.083 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.767 2.767 4.040 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.900 4.291 5.750 1.00 0.00 N ATOM 0 H ARG A 66 10.189 2.265 0.645 1.00 0.00 H new ATOM 0 HA ARG A 66 10.374 0.121 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.075 2.011 2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.186 0.907 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.132 3.198 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.672 3.347 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.431 1.651 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.788 1.230 4.459 1.00 0.00 H new ATOM 0 HE ARG A 66 10.585 3.542 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.243 2.060 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.715 3.010 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.479 4.758 6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.848 4.531 5.460 1.00 0.00 H new ATOM 958 N ARG A 67 9.361 -1.563 1.174 1.00 0.00 N ATOM 959 CA ARG A 67 8.721 -2.596 0.368 1.00 0.00 C ATOM 960 C ARG A 67 7.803 -3.463 1.225 1.00 0.00 C ATOM 961 O ARG A 67 8.037 -3.639 2.422 1.00 0.00 O ATOM 962 CB ARG A 67 9.777 -3.470 -0.311 1.00 0.00 C ATOM 963 CG ARG A 67 10.517 -4.389 0.648 1.00 0.00 C ATOM 964 CD ARG A 67 11.866 -4.810 0.087 1.00 0.00 C ATOM 965 NE ARG A 67 11.732 -5.807 -0.971 1.00 0.00 N ATOM 966 CZ ARG A 67 12.747 -6.526 -1.436 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.965 -6.360 -0.938 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.546 -7.414 -2.401 1.00 0.00 N ATOM 0 H ARG A 67 10.079 -1.909 1.811 1.00 0.00 H new ATOM 0 HA ARG A 67 8.119 -2.104 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.296 -4.074 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.499 -2.827 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.661 -3.882 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.912 -5.274 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.385 -3.935 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.482 -5.214 0.890 1.00 0.00 H new ATOM 0 HE ARG A 67 10.808 -5.960 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.124 -5.679 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.743 -6.914 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.611 -7.545 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.327 -7.966 -2.757 1.00 0.00 H new ATOM 982 N LEU A 68 6.758 -4.001 0.606 1.00 0.00 N ATOM 983 CA LEU A 68 5.804 -4.849 1.312 1.00 0.00 C ATOM 984 C LEU A 68 5.658 -6.199 0.617 1.00 0.00 C ATOM 985 O LEU A 68 4.895 -6.338 -0.339 1.00 0.00 O ATOM 986 CB LEU A 68 4.443 -4.157 1.397 1.00 0.00 C ATOM 987 CG LEU A 68 3.479 -4.699 2.453 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.652 -3.953 3.767 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.041 -4.598 1.966 1.00 0.00 C ATOM 0 H LEU A 68 6.550 -3.865 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 68 6.182 -5.019 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.608 -3.098 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.960 -4.228 0.422 1.00 0.00 H new ATOM 0 HG LEU A 68 3.711 -5.751 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.958 -4.352 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.674 -4.078 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.448 -2.893 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.370 -4.988 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.797 -3.555 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.925 -5.179 1.051 1.00 0.00 H new ATOM 1001 N VAL A 69 6.393 -7.193 1.106 1.00 0.00 N ATOM 1002 CA VAL A 69 6.343 -8.533 0.534 1.00 0.00 C ATOM 1003 C VAL A 69 5.061 -9.254 0.936 1.00 0.00 C ATOM 1004 O VAL A 69 4.928 -9.725 2.066 1.00 0.00 O ATOM 1005 CB VAL A 69 7.554 -9.377 0.976 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.495 -10.763 0.352 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.853 -8.674 0.614 1.00 0.00 C ATOM 0 H VAL A 69 7.030 -7.095 1.897 1.00 0.00 H new ATOM 0 HA VAL A 69 6.367 -8.416 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 69 7.520 -9.492 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.358 -11.345 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.580 -11.265 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.504 -10.674 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.698 -9.284 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.899 -8.527 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.895 -7.706 1.114 1.00 0.00 H new ATOM 1017 N VAL A 70 4.119 -9.339 0.002 1.00 0.00 N ATOM 1018 CA VAL A 70 2.847 -10.004 0.257 1.00 0.00 C ATOM 1019 C VAL A 70 2.883 -11.456 -0.208 1.00 0.00 C ATOM 1020 O VAL A 70 2.757 -11.739 -1.398 1.00 0.00 O ATOM 1021 CB VAL A 70 1.684 -9.280 -0.447 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.377 -10.024 -0.220 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.580 -7.842 0.038 1.00 0.00 C ATOM 0 H VAL A 70 4.213 -8.955 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 70 2.685 -9.974 1.334 1.00 0.00 H new ATOM 0 HB VAL A 70 1.884 -9.264 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.433 -9.498 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.459 -11.034 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.167 -10.074 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.753 -7.346 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.403 -7.833 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.509 -7.316 -0.182 1.00 0.00 H new ATOM 1033 N GLN A 71 3.056 -12.370 0.741 1.00 0.00 N ATOM 1034 CA GLN A 71 3.110 -13.794 0.428 1.00 0.00 C ATOM 1035 C GLN A 71 1.719 -14.334 0.111 1.00 0.00 C ATOM 1036 O GLN A 71 0.718 -13.831 0.620 1.00 0.00 O ATOM 1037 CB GLN A 71 3.718 -14.572 1.596 1.00 0.00 C ATOM 1038 CG GLN A 71 5.056 -14.021 2.063 1.00 0.00 C ATOM 1039 CD GLN A 71 6.229 -14.635 1.324 1.00 0.00 C ATOM 1040 OE1 GLN A 71 6.057 -15.278 0.287 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.431 -14.441 1.855 1.00 0.00 N ATOM 0 H GLN A 71 3.161 -12.151 1.732 1.00 0.00 H new ATOM 0 HA GLN A 71 3.740 -13.923 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.019 -14.562 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.846 -15.613 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.069 -12.940 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.168 -14.205 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.527 -13.902 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.258 -14.831 1.402 1.00 0.00 H new ATOM 1050 N GLN A 72 1.666 -15.360 -0.732 1.00 0.00 N ATOM 1051 CA GLN A 72 0.397 -15.967 -1.117 1.00 0.00 C ATOM 1052 C GLN A 72 -0.607 -14.902 -1.547 1.00 0.00 C ATOM 1053 O GLN A 72 -1.777 -14.949 -1.166 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.174 -16.785 0.043 1.00 0.00 C ATOM 1055 CG GLN A 72 0.385 -18.196 0.125 1.00 0.00 C ATOM 1056 CD GLN A 72 -0.225 -19.000 1.256 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -1.335 -18.716 1.707 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.498 -20.012 1.720 1.00 0.00 N ATOM 0 H GLN A 72 2.486 -15.788 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 72 0.581 -16.629 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.033 -16.266 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.258 -16.838 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.205 -18.710 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.465 -18.147 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.413 -20.212 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.138 -20.590 2.480 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.142 -13.944 -2.341 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.000 -12.869 -2.824 1.00 0.00 C ATOM 1069 C ALA A 73 -2.313 -13.418 -3.373 1.00 0.00 C ATOM 1070 O ALA A 73 -2.367 -13.916 -4.497 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.279 -12.056 -3.889 1.00 0.00 C ATOM 0 H ALA A 73 0.824 -13.890 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.233 -12.218 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.932 -11.257 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.628 -11.624 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.016 -12.704 -4.725 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.369 -13.326 -2.572 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.667 -13.819 -2.995 1.00 0.00 C ATOM 1079 C GLY A 74 -5.739 -12.748 -2.945 1.00 0.00 C ATOM 1080 O GLY A 74 -5.479 -11.621 -2.523 1.00 0.00 O ATOM 0 H GLY A 74 -3.349 -12.919 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.592 -14.206 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.961 -14.653 -2.357 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.945 -13.099 -3.379 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.059 -12.158 -3.384 1.00 0.00 C ATOM 1086 C GLN A 75 -7.966 -11.199 -2.202 1.00 0.00 C ATOM 1087 O GLN A 75 -7.861 -9.986 -2.381 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.390 -12.910 -3.342 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.684 -13.698 -4.609 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.098 -15.096 -4.576 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.388 -15.882 -3.674 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.268 -15.413 -5.562 1.00 0.00 N ATOM 0 H GLN A 75 -7.176 -14.028 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.007 -11.577 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.385 -13.593 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.196 -12.196 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.763 -13.764 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.283 -13.160 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.056 -14.730 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.843 -16.340 -5.592 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.005 -11.751 -0.994 1.00 0.00 N ATOM 1102 CA ALA A 76 -7.924 -10.944 0.218 1.00 0.00 C ATOM 1103 C ALA A 76 -6.818 -9.899 0.108 1.00 0.00 C ATOM 1104 O ALA A 76 -7.071 -8.701 0.230 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.693 -11.834 1.430 1.00 0.00 C ATOM 0 H ALA A 76 -8.092 -12.754 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.872 -10.421 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.635 -11.218 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.519 -12.539 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.760 -12.383 1.305 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.594 -10.362 -0.121 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.450 -9.466 -0.245 1.00 0.00 C ATOM 1113 C GLU A 77 -4.686 -8.431 -1.341 1.00 0.00 C ATOM 1114 O GLU A 77 -4.319 -7.265 -1.198 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.179 -10.263 -0.546 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.492 -10.806 0.695 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.396 -11.705 1.517 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -3.748 -12.799 1.027 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.753 -11.315 2.648 1.00 0.00 O ATOM 0 H GLU A 77 -5.369 -11.351 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.326 -8.944 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.429 -11.094 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.480 -9.625 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.603 -11.364 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.155 -9.974 1.313 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.301 -8.867 -2.436 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.588 -7.979 -3.556 1.00 0.00 C ATOM 1128 C ALA A 78 -6.474 -6.816 -3.122 1.00 0.00 C ATOM 1129 O ALA A 78 -7.591 -7.018 -2.646 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.246 -8.753 -4.688 1.00 0.00 C ATOM 0 H ALA A 78 -5.610 -9.830 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.644 -7.568 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.455 -8.077 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.577 -9.545 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.179 -9.192 -4.334 1.00 0.00 H new ATOM 1136 N GLY A 79 -5.969 -5.598 -3.289 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.728 -4.421 -2.908 1.00 0.00 C ATOM 1138 C GLY A 79 -5.966 -3.134 -3.155 1.00 0.00 C ATOM 1139 O GLY A 79 -5.226 -3.022 -4.132 1.00 0.00 O ATOM 0 H GLY A 79 -5.048 -5.405 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.663 -4.399 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.990 -4.488 -1.852 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.148 -2.161 -2.268 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.472 -0.875 -2.396 1.00 0.00 C ATOM 1145 C GLU A 80 -4.588 -0.601 -1.183 1.00 0.00 C ATOM 1146 O GLU A 80 -5.071 -0.175 -0.134 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.497 0.250 -2.559 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.945 0.461 -3.995 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.814 1.693 -4.160 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.565 2.692 -3.454 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.743 1.658 -4.994 1.00 0.00 O ATOM 0 H GLU A 80 -6.757 -2.238 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.839 -0.913 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.369 0.028 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.069 1.178 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.068 0.551 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.497 -0.416 -4.332 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.292 -0.850 -1.335 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.340 -0.633 -0.252 1.00 0.00 C ATOM 1160 C TYR A 81 -1.897 0.826 -0.200 1.00 0.00 C ATOM 1161 O TYR A 81 -1.472 1.394 -1.206 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.122 -1.542 -0.426 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.431 -3.010 -0.238 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.069 -3.739 -1.235 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.086 -3.669 0.935 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.354 -5.080 -1.068 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.365 -5.010 1.110 1.00 0.00 C ATOM 1168 CZ TYR A 81 -1.999 -5.711 0.106 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.280 -7.048 0.278 1.00 0.00 O ATOM 0 H TYR A 81 -2.877 -1.202 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.836 -0.877 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.706 -1.391 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.354 -1.247 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.347 -3.248 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.591 -3.123 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.852 -5.631 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.088 -5.507 2.028 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.229 -7.209 0.092 1.00 0.00 H new ATOM 1179 N SER A 82 -1.999 1.427 0.981 1.00 0.00 N ATOM 1180 CA SER A 82 -1.612 2.820 1.166 1.00 0.00 C ATOM 1181 C SER A 82 -0.511 2.944 2.214 1.00 0.00 C ATOM 1182 O SER A 82 -0.733 2.684 3.397 1.00 0.00 O ATOM 1183 CB SER A 82 -2.823 3.658 1.581 1.00 0.00 C ATOM 1184 OG SER A 82 -3.921 3.432 0.714 1.00 0.00 O ATOM 0 H SER A 82 -2.347 0.971 1.824 1.00 0.00 H new ATOM 0 HA SER A 82 -1.229 3.193 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.107 3.411 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.559 4.715 1.570 1.00 0.00 H new ATOM 0 HG SER A 82 -4.683 3.978 1.002 1.00 0.00 H new ATOM 1190 N CYS A 83 0.676 3.343 1.772 1.00 0.00 N ATOM 1191 CA CYS A 83 1.814 3.501 2.671 1.00 0.00 C ATOM 1192 C CYS A 83 1.831 4.896 3.287 1.00 0.00 C ATOM 1193 O CYS A 83 2.375 5.834 2.706 1.00 0.00 O ATOM 1194 CB CYS A 83 3.123 3.245 1.921 1.00 0.00 C ATOM 1195 SG CYS A 83 4.606 3.439 2.937 1.00 0.00 S ATOM 0 H CYS A 83 0.876 3.563 0.796 1.00 0.00 H new ATOM 0 HA CYS A 83 1.715 2.770 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.104 2.234 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.184 3.929 1.074 1.00 0.00 H new ATOM 0 HG CYS A 83 5.663 3.309 2.191 1.00 0.00 H new ATOM 1201 N GLU A 84 1.229 5.024 4.465 1.00 0.00 N ATOM 1202 CA GLU A 84 1.174 6.306 5.158 1.00 0.00 C ATOM 1203 C GLU A 84 2.533 6.662 5.753 1.00 0.00 C ATOM 1204 O GLU A 84 3.319 5.783 6.102 1.00 0.00 O ATOM 1205 CB GLU A 84 0.115 6.268 6.262 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.524 7.619 6.540 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.207 7.675 7.892 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.500 7.856 8.906 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.447 7.536 7.937 1.00 0.00 O ATOM 0 H GLU A 84 0.773 4.257 4.959 1.00 0.00 H new ATOM 0 HA GLU A 84 0.904 7.072 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.663 5.558 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.572 5.896 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.240 8.395 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.253 7.839 5.760 1.00 0.00 H new ATOM 1216 N ALA A 85 2.801 7.959 5.866 1.00 0.00 N ATOM 1217 CA ALA A 85 4.063 8.433 6.420 1.00 0.00 C ATOM 1218 C ALA A 85 4.008 9.929 6.711 1.00 0.00 C ATOM 1219 O ALA A 85 4.062 10.751 5.797 1.00 0.00 O ATOM 1220 CB ALA A 85 5.208 8.119 5.468 1.00 0.00 C ATOM 0 H ALA A 85 2.161 8.700 5.581 1.00 0.00 H new ATOM 0 HA ALA A 85 4.236 7.913 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.145 8.479 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.269 7.042 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.032 8.612 4.512 1.00 0.00 H new ATOM 1226 N GLY A 86 3.900 10.275 7.990 1.00 0.00 N ATOM 1227 CA GLY A 86 3.839 11.672 8.378 1.00 0.00 C ATOM 1228 C GLY A 86 2.559 12.345 7.922 1.00 0.00 C ATOM 1229 O GLY A 86 1.567 12.364 8.649 1.00 0.00 O ATOM 0 H GLY A 86 3.854 9.613 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.920 11.749 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.694 12.201 7.956 1.00 0.00 H new ATOM 1233 N GLY A 87 2.582 12.900 6.714 1.00 0.00 N ATOM 1234 CA GLY A 87 1.409 13.571 6.184 1.00 0.00 C ATOM 1235 C GLY A 87 1.156 13.233 4.728 1.00 0.00 C ATOM 1236 O GLY A 87 0.551 14.018 3.999 1.00 0.00 O ATOM 0 H GLY A 87 3.391 12.897 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.537 13.292 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.533 14.649 6.287 1.00 0.00 H new ATOM 1240 N GLN A 88 1.623 12.063 4.304 1.00 0.00 N ATOM 1241 CA GLN A 88 1.445 11.625 2.925 1.00 0.00 C ATOM 1242 C GLN A 88 1.191 10.123 2.859 1.00 0.00 C ATOM 1243 O GLN A 88 1.277 9.425 3.869 1.00 0.00 O ATOM 1244 CB GLN A 88 2.677 11.982 2.092 1.00 0.00 C ATOM 1245 CG GLN A 88 2.769 13.459 1.744 1.00 0.00 C ATOM 1246 CD GLN A 88 3.765 13.737 0.635 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.771 13.060 -0.393 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.614 14.738 0.838 1.00 0.00 N ATOM 0 H GLN A 88 2.127 11.402 4.895 1.00 0.00 H new ATOM 0 HA GLN A 88 0.576 12.140 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.573 11.690 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.663 11.400 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.785 13.819 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.055 14.021 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.573 15.273 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.306 14.972 0.126 1.00 0.00 H new ATOM 1257 N GLN A 89 0.877 9.633 1.664 1.00 0.00 N ATOM 1258 CA GLN A 89 0.609 8.213 1.468 1.00 0.00 C ATOM 1259 C GLN A 89 0.524 7.875 -0.017 1.00 0.00 C ATOM 1260 O GLN A 89 -0.060 8.622 -0.803 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.692 7.816 2.168 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.845 8.768 1.894 1.00 0.00 C ATOM 1263 CD GLN A 89 -1.798 10.009 2.764 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -1.789 9.919 3.992 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -1.766 11.175 2.131 1.00 0.00 N ATOM 0 H GLN A 89 0.802 10.198 0.818 1.00 0.00 H new ATOM 0 HA GLN A 89 1.434 7.650 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.976 6.813 1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.517 7.770 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.825 9.064 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.788 8.248 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.775 11.202 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.732 12.044 2.664 1.00 0.00 H new ATOM 1274 N LEU A 90 1.111 6.745 -0.396 1.00 0.00 N ATOM 1275 CA LEU A 90 1.103 6.308 -1.788 1.00 0.00 C ATOM 1276 C LEU A 90 0.165 5.120 -1.980 1.00 0.00 C ATOM 1277 O LEU A 90 0.162 4.184 -1.181 1.00 0.00 O ATOM 1278 CB LEU A 90 2.517 5.933 -2.234 1.00 0.00 C ATOM 1279 CG LEU A 90 3.553 7.058 -2.199 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.942 6.496 -1.941 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.527 7.846 -3.500 1.00 0.00 C ATOM 0 H LEU A 90 1.598 6.115 0.241 1.00 0.00 H new ATOM 0 HA LEU A 90 0.743 7.135 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.872 5.119 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.465 5.546 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 90 3.300 7.735 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.666 7.311 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.952 5.976 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.205 5.798 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.270 8.642 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.755 7.181 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.537 8.280 -3.643 1.00 0.00 H new ATOM 1293 N SER A 91 -0.628 5.165 -3.045 1.00 0.00 N ATOM 1294 CA SER A 91 -1.572 4.094 -3.342 1.00 0.00 C ATOM 1295 C SER A 91 -0.907 2.998 -4.170 1.00 0.00 C ATOM 1296 O SER A 91 -0.193 3.279 -5.133 1.00 0.00 O ATOM 1297 CB SER A 91 -2.786 4.648 -4.089 1.00 0.00 C ATOM 1298 OG SER A 91 -3.023 6.002 -3.745 1.00 0.00 O ATOM 0 H SER A 91 -0.636 5.932 -3.717 1.00 0.00 H new ATOM 0 HA SER A 91 -1.902 3.662 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.624 4.566 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.666 4.050 -3.853 1.00 0.00 H new ATOM 0 HG SER A 91 -3.803 6.333 -4.237 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.147 1.749 -3.788 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.572 0.609 -4.493 1.00 0.00 C ATOM 1306 C PHE A 92 -1.623 -0.471 -4.729 1.00 0.00 C ATOM 1307 O PHE A 92 -1.820 -1.353 -3.893 1.00 0.00 O ATOM 1308 CB PHE A 92 0.602 0.031 -3.700 1.00 0.00 C ATOM 1309 CG PHE A 92 1.866 0.831 -3.830 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.722 0.628 -4.900 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.198 1.786 -2.883 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.887 1.363 -5.024 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.360 2.524 -3.001 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.206 2.312 -4.072 1.00 0.00 C ATOM 0 H PHE A 92 -1.736 1.500 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.211 0.957 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.325 -0.027 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.791 -0.988 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.477 -0.113 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.541 1.956 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.546 1.195 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.607 3.266 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.115 2.887 -4.165 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.295 -0.395 -5.873 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.327 -1.365 -6.219 1.00 0.00 C ATOM 1326 C ARG A 93 -2.707 -2.711 -6.586 1.00 0.00 C ATOM 1327 O ARG A 93 -2.171 -2.881 -7.682 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.174 -0.847 -7.383 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.150 -1.876 -7.931 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.392 -1.984 -7.061 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.188 -0.761 -7.088 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.955 -0.405 -8.113 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.030 -1.177 -9.188 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.650 0.724 -8.063 1.00 0.00 N ATOM 0 H ARG A 93 -2.143 0.328 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.966 -1.505 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.731 0.030 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.513 -0.522 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.438 -1.602 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.660 -2.848 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.002 -2.821 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.097 -2.202 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.154 -0.146 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.498 -2.046 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.619 -0.902 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.596 1.320 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.238 0.996 -8.851 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.785 -3.663 -5.663 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.231 -4.994 -5.889 1.00 0.00 C ATOM 1350 C LEU A 94 -3.275 -5.920 -6.506 1.00 0.00 C ATOM 1351 O LEU A 94 -4.335 -6.149 -5.926 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.722 -5.586 -4.574 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.474 -7.095 -4.568 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.563 -7.490 -5.720 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -0.877 -7.532 -3.239 1.00 0.00 C ATOM 0 H LEU A 94 -3.226 -3.539 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.397 -4.901 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.791 -5.084 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.444 -5.354 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.430 -7.602 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.397 -8.567 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.030 -7.212 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.392 -6.974 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.707 -8.609 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.070 -7.017 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.566 -7.284 -2.432 1.00 0.00 H new ATOM 1367 N GLN A 95 -2.964 -6.451 -7.685 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.875 -7.353 -8.379 1.00 0.00 C ATOM 1369 C GLN A 95 -3.415 -8.801 -8.243 1.00 0.00 C ATOM 1370 O GLN A 95 -2.229 -9.072 -8.056 1.00 0.00 O ATOM 1371 CB GLN A 95 -3.974 -6.973 -9.858 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.877 -5.779 -10.120 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.519 -5.046 -11.398 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -3.973 -5.634 -12.332 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.825 -3.755 -11.446 1.00 0.00 N ATOM 0 H GLN A 95 -2.089 -6.272 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.859 -7.259 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.976 -6.753 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.346 -7.829 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.912 -6.116 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.813 -5.088 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.277 -3.308 -10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.608 -3.210 -12.280 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.362 -9.729 -8.339 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.054 -11.150 -8.227 1.00 0.00 C ATOM 1386 C VAL A 96 -4.668 -11.937 -9.380 1.00 0.00 C ATOM 1387 O VAL A 96 -5.773 -11.638 -9.830 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.563 -11.731 -6.895 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.321 -13.232 -6.840 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.895 -11.032 -5.720 1.00 0.00 C ATOM 0 H VAL A 96 -5.349 -9.522 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.969 -11.243 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.637 -11.558 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.687 -13.625 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.849 -13.716 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.253 -13.432 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.266 -11.455 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.816 -11.173 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.124 -9.967 -5.752 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.942 -12.945 -9.853 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.416 -13.777 -10.952 1.00 0.00 C ATOM 1402 C ALA A 97 -4.691 -15.202 -10.482 1.00 0.00 C ATOM 1403 O ALA A 97 -4.083 -15.678 -9.524 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.403 -13.780 -12.087 1.00 0.00 C ATOM 0 H ALA A 97 -3.024 -13.205 -9.492 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.352 -13.355 -11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.770 -14.405 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.259 -12.762 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.453 -14.175 -11.726 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.611 -15.878 -11.163 1.00 0.00 N ATOM 1411 CA GLY A 98 -5.950 -17.242 -10.800 1.00 0.00 C ATOM 1412 C GLY A 98 -6.601 -17.333 -9.434 1.00 0.00 C ATOM 1413 O GLY A 98 -6.940 -16.314 -8.832 1.00 0.00 O ATOM 0 H GLY A 98 -6.128 -15.506 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.624 -17.657 -11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.047 -17.853 -10.810 1.00 0.00 H new ATOM 1417 N GLN A 99 -6.776 -18.556 -8.944 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.393 -18.776 -7.641 1.00 0.00 C ATOM 1419 C GLN A 99 -6.359 -19.242 -6.622 1.00 0.00 C ATOM 1420 O GLN A 99 -5.557 -20.135 -6.900 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.518 -19.806 -7.753 1.00 0.00 C ATOM 1422 CG GLN A 99 -9.085 -20.235 -6.410 1.00 0.00 C ATOM 1423 CD GLN A 99 -10.244 -19.368 -5.962 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -10.057 -18.379 -5.252 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -11.452 -19.734 -6.374 1.00 0.00 N ATOM 0 H GLN A 99 -6.499 -19.409 -9.429 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.811 -17.829 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.321 -19.390 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.144 -20.685 -8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.415 -21.272 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.296 -20.197 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.562 -20.561 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.270 -19.188 -6.103 1.00 0.00 H new ATOM 1434 N CYS A 100 -6.383 -18.633 -5.441 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.447 -18.986 -4.380 1.00 0.00 C ATOM 1436 C CYS A 100 -5.884 -20.264 -3.672 1.00 0.00 C ATOM 1437 O CYS A 100 -6.839 -20.261 -2.895 1.00 0.00 O ATOM 1438 CB CYS A 100 -5.334 -17.843 -3.371 1.00 0.00 C ATOM 1439 SG CYS A 100 -4.198 -18.174 -2.003 1.00 0.00 S ATOM 0 H CYS A 100 -7.040 -17.893 -5.195 1.00 0.00 H new ATOM 0 HA CYS A 100 -4.471 -19.159 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.006 -16.944 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -6.323 -17.632 -2.965 1.00 0.00 H new ATOM 0 HG CYS A 100 -4.169 -17.148 -1.205 1.00 0.00 H new ATOM 1445 N PHE A 101 -5.179 -21.357 -3.947 1.00 0.00 N ATOM 1446 CA PHE A 101 -5.496 -22.644 -3.338 1.00 0.00 C ATOM 1447 C PHE A 101 -5.210 -22.622 -1.839 1.00 0.00 C ATOM 1448 O PHE A 101 -4.056 -22.652 -1.415 1.00 0.00 O ATOM 1449 CB PHE A 101 -4.689 -23.760 -4.006 1.00 0.00 C ATOM 1450 CG PHE A 101 -5.084 -24.014 -5.432 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -6.093 -24.915 -5.735 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -4.448 -23.352 -6.470 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -6.458 -25.151 -7.047 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -4.809 -23.584 -7.784 1.00 0.00 C ATOM 1455 CZ PHE A 101 -5.816 -24.484 -8.072 1.00 0.00 C ATOM 0 H PHE A 101 -4.385 -21.377 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.559 -22.835 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.630 -23.503 -3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.813 -24.679 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.599 -25.438 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.661 -22.646 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.245 -25.856 -7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.304 -23.062 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.101 -24.666 -9.098 1.00 0.00 H new ATOM 1465 N GLY A 102 -6.273 -22.567 -1.041 1.00 0.00 N ATOM 1466 CA GLY A 102 -6.116 -22.541 0.401 1.00 0.00 C ATOM 1467 C GLY A 102 -6.269 -23.914 1.026 1.00 0.00 C ATOM 1468 O GLY A 102 -6.411 -24.037 2.243 1.00 0.00 O ATOM 0 H GLY A 102 -7.239 -22.540 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.133 -22.140 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.855 -21.865 0.832 1.00 0.00 H new TER 1472 GLY A 102