USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.551 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 12 GLN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0117) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -90:sc= -4.23! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 14:sc= 0.226 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 29:sc= 0.13 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1) USER MOD Single : A 46 ASN :FLIP amide:sc= -2.43! F(o=-3.5,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 33:sc= 0.468 USER MOD Single : A 58 GLN : amide:sc= -3.53 K(o=-3.5,f=-7.1!) USER MOD Single : A 62 MET CE :methyl -160:sc= 0 (180deg=-0.28) USER MOD Single : A 69 ASN : amide:sc= -2.33! C(o=-2.3!,f=-7.7!) USER MOD Single : A 73 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.01) USER MOD Single : A 75 SER OG : rot 150:sc= 0 USER MOD Single : A 78 TYR OH : rot -130:sc= -0.905 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -13:sc= 1.28 USER MOD Single : A 81 SER OG : rot 180:sc= -0.3 USER MOD Single : A 85 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -143:sc= -1.63! USER MOD Single : A 88 SER OG : rot 150:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.222 6.206 -3.237 1.00 0.00 N ATOM 2 CA GLY A 1 28.982 5.143 -2.607 1.00 0.00 C ATOM 3 C GLY A 1 28.900 3.838 -3.375 1.00 0.00 C ATOM 4 O GLY A 1 29.695 3.593 -4.282 1.00 0.00 O ATOM 0 H1 GLY A 1 28.310 7.076 -2.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.590 6.375 -4.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.221 5.930 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.025 5.447 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.613 4.988 -1.593 1.00 0.00 H new ATOM 8 N SER A 2 27.937 2.998 -3.010 1.00 0.00 N ATOM 9 CA SER A 2 27.758 1.709 -3.667 1.00 0.00 C ATOM 10 C SER A 2 29.101 1.020 -3.888 1.00 0.00 C ATOM 11 O SER A 2 29.341 0.426 -4.939 1.00 0.00 O ATOM 12 CB SER A 2 27.038 1.890 -5.005 1.00 0.00 C ATOM 13 OG SER A 2 27.721 2.818 -5.829 1.00 0.00 O ATOM 0 H SER A 2 27.269 3.187 -2.263 1.00 0.00 H new ATOM 0 HA SER A 2 27.150 1.080 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.966 0.930 -5.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.019 2.235 -4.830 1.00 0.00 H new ATOM 0 HG SER A 2 28.649 2.902 -5.527 1.00 0.00 H new ATOM 19 N SER A 3 29.974 1.105 -2.889 1.00 0.00 N ATOM 20 CA SER A 3 31.295 0.494 -2.975 1.00 0.00 C ATOM 21 C SER A 3 31.216 -1.009 -2.724 1.00 0.00 C ATOM 22 O SER A 3 30.617 -1.456 -1.747 1.00 0.00 O ATOM 23 CB SER A 3 32.246 1.141 -1.966 1.00 0.00 C ATOM 24 OG SER A 3 33.588 0.758 -2.212 1.00 0.00 O ATOM 0 H SER A 3 29.790 1.591 -2.011 1.00 0.00 H new ATOM 0 HA SER A 3 31.679 0.657 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.158 2.226 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.961 0.850 -0.955 1.00 0.00 H new ATOM 0 HG SER A 3 34.176 1.186 -1.555 1.00 0.00 H new ATOM 30 N GLY A 4 31.826 -1.784 -3.616 1.00 0.00 N ATOM 31 CA GLY A 4 31.813 -3.229 -3.475 1.00 0.00 C ATOM 32 C GLY A 4 30.578 -3.860 -4.087 1.00 0.00 C ATOM 33 O GLY A 4 30.500 -4.035 -5.303 1.00 0.00 O ATOM 0 H GLY A 4 32.329 -1.437 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.702 -3.645 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.864 -3.488 -2.418 1.00 0.00 H new ATOM 37 N SER A 5 29.611 -4.205 -3.243 1.00 0.00 N ATOM 38 CA SER A 5 28.377 -4.826 -3.707 1.00 0.00 C ATOM 39 C SER A 5 27.177 -3.925 -3.428 1.00 0.00 C ATOM 40 O SER A 5 27.229 -3.055 -2.559 1.00 0.00 O ATOM 41 CB SER A 5 28.178 -6.183 -3.030 1.00 0.00 C ATOM 42 OG SER A 5 27.174 -6.938 -3.687 1.00 0.00 O ATOM 0 H SER A 5 29.659 -4.065 -2.234 1.00 0.00 H new ATOM 0 HA SER A 5 28.456 -4.973 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.117 -6.737 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.902 -6.035 -1.986 1.00 0.00 H new ATOM 0 HG SER A 5 27.067 -7.802 -3.237 1.00 0.00 H new ATOM 48 N SER A 6 26.097 -4.140 -4.172 1.00 0.00 N ATOM 49 CA SER A 6 24.885 -3.346 -4.009 1.00 0.00 C ATOM 50 C SER A 6 24.571 -3.133 -2.532 1.00 0.00 C ATOM 51 O SER A 6 24.516 -2.000 -2.054 1.00 0.00 O ATOM 52 CB SER A 6 23.704 -4.031 -4.700 1.00 0.00 C ATOM 53 OG SER A 6 23.988 -4.281 -6.066 1.00 0.00 O ATOM 0 H SER A 6 26.037 -4.858 -4.894 1.00 0.00 H new ATOM 0 HA SER A 6 25.052 -2.373 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.477 -4.970 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.817 -3.403 -4.619 1.00 0.00 H new ATOM 0 HG SER A 6 23.219 -4.721 -6.485 1.00 0.00 H new ATOM 59 N GLY A 7 24.365 -4.232 -1.812 1.00 0.00 N ATOM 60 CA GLY A 7 24.059 -4.144 -0.396 1.00 0.00 C ATOM 61 C GLY A 7 22.672 -4.662 -0.070 1.00 0.00 C ATOM 62 O GLY A 7 21.735 -4.528 -0.858 1.00 0.00 O ATOM 0 H GLY A 7 24.405 -5.181 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.798 -4.713 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.141 -3.106 -0.073 1.00 0.00 H new ATOM 66 N PRO A 8 22.527 -5.271 1.116 1.00 0.00 N ATOM 67 CA PRO A 8 21.248 -5.825 1.571 1.00 0.00 C ATOM 68 C PRO A 8 20.228 -4.738 1.894 1.00 0.00 C ATOM 69 O PRO A 8 20.583 -3.573 2.073 1.00 0.00 O ATOM 70 CB PRO A 8 21.626 -6.597 2.837 1.00 0.00 C ATOM 71 CG PRO A 8 22.864 -5.933 3.330 1.00 0.00 C ATOM 72 CD PRO A 8 23.600 -5.467 2.105 1.00 0.00 C ATOM 0 HA PRO A 8 20.775 -6.440 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.830 -6.552 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.801 -7.651 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 8 22.623 -5.094 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.473 -6.625 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 8 24.147 -4.543 2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.327 -6.206 1.768 1.00 0.00 H new ATOM 80 N VAL A 9 18.959 -5.126 1.968 1.00 0.00 N ATOM 81 CA VAL A 9 17.888 -4.185 2.272 1.00 0.00 C ATOM 82 C VAL A 9 16.868 -4.801 3.223 1.00 0.00 C ATOM 83 O VAL A 9 16.305 -5.860 2.945 1.00 0.00 O ATOM 84 CB VAL A 9 17.166 -3.724 0.991 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.018 -2.787 1.333 1.00 0.00 C ATOM 86 CG2 VAL A 9 18.146 -3.054 0.040 1.00 0.00 C ATOM 0 H VAL A 9 18.647 -6.086 1.821 1.00 0.00 H new ATOM 0 HA VAL A 9 18.351 -3.322 2.750 1.00 0.00 H new ATOM 0 HB VAL A 9 16.752 -4.600 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.520 -2.472 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.304 -3.305 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.406 -1.912 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.620 -2.735 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.591 -2.186 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.931 -3.760 -0.231 1.00 0.00 H new ATOM 96 N ARG A 10 16.634 -4.130 4.346 1.00 0.00 N ATOM 97 CA ARG A 10 15.682 -4.612 5.339 1.00 0.00 C ATOM 98 C ARG A 10 14.530 -3.627 5.511 1.00 0.00 C ATOM 99 O ARG A 10 14.724 -2.412 5.454 1.00 0.00 O ATOM 100 CB ARG A 10 16.381 -4.835 6.682 1.00 0.00 C ATOM 101 CG ARG A 10 17.398 -5.964 6.659 1.00 0.00 C ATOM 102 CD ARG A 10 17.975 -6.222 8.042 1.00 0.00 C ATOM 103 NE ARG A 10 17.017 -6.889 8.919 1.00 0.00 N ATOM 104 CZ ARG A 10 17.285 -7.235 10.173 1.00 0.00 C ATOM 105 NH1 ARG A 10 18.477 -6.978 10.694 1.00 0.00 N ATOM 106 NH2 ARG A 10 16.361 -7.839 10.908 1.00 0.00 N ATOM 0 H ARG A 10 17.091 -3.251 4.591 1.00 0.00 H new ATOM 0 HA ARG A 10 15.277 -5.560 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.881 -3.913 6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.630 -5.050 7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.926 -6.873 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.204 -5.716 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.872 -6.835 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.279 -5.276 8.490 1.00 0.00 H new ATOM 0 HE ARG A 10 16.091 -7.101 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.190 -6.514 10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.681 -7.245 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.443 -8.038 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.568 -8.104 11.871 1.00 0.00 H new ATOM 120 N PHE A 11 13.330 -4.158 5.721 1.00 0.00 N ATOM 121 CA PHE A 11 12.146 -3.325 5.899 1.00 0.00 C ATOM 122 C PHE A 11 12.266 -2.472 7.159 1.00 0.00 C ATOM 123 O PHE A 11 11.707 -2.808 8.203 1.00 0.00 O ATOM 124 CB PHE A 11 10.891 -4.197 5.978 1.00 0.00 C ATOM 125 CG PHE A 11 10.254 -4.452 4.642 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.766 -3.402 3.880 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.142 -5.742 4.147 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.179 -3.635 2.651 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.556 -5.980 2.918 1.00 0.00 C ATOM 130 CZ PHE A 11 9.075 -4.925 2.169 1.00 0.00 C ATOM 0 H PHE A 11 13.152 -5.161 5.772 1.00 0.00 H new ATOM 0 HA PHE A 11 12.066 -2.661 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.150 -5.151 6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.164 -3.716 6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.845 -2.391 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.517 -6.571 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.802 -2.808 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.475 -6.990 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.618 -5.108 1.208 1.00 0.00 H new ATOM 140 N GLN A 12 12.999 -1.369 7.051 1.00 0.00 N ATOM 141 CA GLN A 12 13.193 -0.468 8.181 1.00 0.00 C ATOM 142 C GLN A 12 11.862 -0.137 8.848 1.00 0.00 C ATOM 143 O GLN A 12 11.701 -0.315 10.055 1.00 0.00 O ATOM 144 CB GLN A 12 13.882 0.818 7.723 1.00 0.00 C ATOM 145 CG GLN A 12 13.972 1.880 8.807 1.00 0.00 C ATOM 146 CD GLN A 12 14.939 1.504 9.913 1.00 0.00 C ATOM 147 OE1 GLN A 12 16.079 1.969 9.941 1.00 0.00 O ATOM 148 NE2 GLN A 12 14.488 0.658 10.831 1.00 0.00 N ATOM 0 H GLN A 12 13.468 -1.078 6.193 1.00 0.00 H new ATOM 0 HA GLN A 12 13.828 -0.972 8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.887 0.578 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.340 1.227 6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.285 2.824 8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.982 2.043 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.536 0.298 10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.094 0.368 11.599 1.00 0.00 H new ATOM 157 N GLU A 13 10.912 0.347 8.054 1.00 0.00 N ATOM 158 CA GLU A 13 9.595 0.704 8.570 1.00 0.00 C ATOM 159 C GLU A 13 8.491 0.132 7.685 1.00 0.00 C ATOM 160 O GLU A 13 7.660 0.870 7.156 1.00 0.00 O ATOM 161 CB GLU A 13 9.454 2.225 8.661 1.00 0.00 C ATOM 162 CG GLU A 13 8.521 2.684 9.768 1.00 0.00 C ATOM 163 CD GLU A 13 8.986 2.244 11.143 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.956 2.836 11.660 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.378 1.307 11.701 1.00 0.00 O ATOM 0 H GLU A 13 11.029 0.501 7.052 1.00 0.00 H new ATOM 0 HA GLU A 13 9.495 0.277 9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.439 2.664 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.088 2.605 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.444 3.771 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.522 2.289 9.583 1.00 0.00 H new ATOM 172 N ALA A 14 8.490 -1.188 7.529 1.00 0.00 N ATOM 173 CA ALA A 14 7.489 -1.860 6.711 1.00 0.00 C ATOM 174 C ALA A 14 6.107 -1.251 6.924 1.00 0.00 C ATOM 175 O ALA A 14 5.861 -0.579 7.927 1.00 0.00 O ATOM 176 CB ALA A 14 7.465 -3.349 7.023 1.00 0.00 C ATOM 0 H ALA A 14 9.172 -1.813 7.959 1.00 0.00 H new ATOM 0 HA ALA A 14 7.760 -1.724 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.713 -3.838 6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.444 -3.781 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.222 -3.496 8.075 1.00 0.00 H new ATOM 182 N LEU A 15 5.208 -1.488 5.975 1.00 0.00 N ATOM 183 CA LEU A 15 3.850 -0.962 6.058 1.00 0.00 C ATOM 184 C LEU A 15 3.206 -1.326 7.392 1.00 0.00 C ATOM 185 O LEU A 15 3.840 -1.934 8.255 1.00 0.00 O ATOM 186 CB LEU A 15 3.002 -1.501 4.905 1.00 0.00 C ATOM 187 CG LEU A 15 3.582 -1.317 3.502 1.00 0.00 C ATOM 188 CD1 LEU A 15 3.101 -2.424 2.577 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.206 0.048 2.944 1.00 0.00 C ATOM 0 H LEU A 15 5.395 -2.041 5.139 1.00 0.00 H new ATOM 0 HA LEU A 15 3.902 0.124 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.834 -2.565 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.027 -1.015 4.940 1.00 0.00 H new ATOM 0 HG LEU A 15 4.669 -1.373 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.524 -2.277 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.421 -3.390 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.013 -2.400 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.627 0.161 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.121 0.133 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.600 0.828 3.595 1.00 0.00 H new ATOM 201 N LYS A 16 1.941 -0.953 7.554 1.00 0.00 N ATOM 202 CA LYS A 16 1.208 -1.243 8.780 1.00 0.00 C ATOM 203 C LYS A 16 -0.279 -0.949 8.608 1.00 0.00 C ATOM 204 O LYS A 16 -0.657 0.019 7.948 1.00 0.00 O ATOM 205 CB LYS A 16 1.771 -0.421 9.942 1.00 0.00 C ATOM 206 CG LYS A 16 1.774 1.076 9.682 1.00 0.00 C ATOM 207 CD LYS A 16 0.478 1.723 10.138 1.00 0.00 C ATOM 208 CE LYS A 16 0.688 3.180 10.524 1.00 0.00 C ATOM 209 NZ LYS A 16 1.134 4.001 9.365 1.00 0.00 N ATOM 0 H LYS A 16 1.402 -0.449 6.850 1.00 0.00 H new ATOM 0 HA LYS A 16 1.327 -2.303 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.185 -0.625 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.790 -0.748 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.614 1.535 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.919 1.261 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.262 1.660 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.076 1.174 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.241 3.588 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.430 3.242 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.184 5.001 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.073 3.681 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.456 3.895 8.583 1.00 0.00 H new ATOM 223 N ASP A 17 -1.116 -1.787 9.208 1.00 0.00 N ATOM 224 CA ASP A 17 -2.562 -1.615 9.123 1.00 0.00 C ATOM 225 C ASP A 17 -2.936 -0.136 9.157 1.00 0.00 C ATOM 226 O ASP A 17 -2.332 0.652 9.887 1.00 0.00 O ATOM 227 CB ASP A 17 -3.253 -2.354 10.270 1.00 0.00 C ATOM 228 CG ASP A 17 -4.678 -1.883 10.487 1.00 0.00 C ATOM 229 OD1 ASP A 17 -4.866 -0.696 10.825 1.00 0.00 O ATOM 230 OD2 ASP A 17 -5.605 -2.702 10.318 1.00 0.00 O ATOM 0 H ASP A 17 -0.819 -2.592 9.759 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.898 -2.035 8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.255 -3.424 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.682 -2.210 11.187 1.00 0.00 H new ATOM 235 N LEU A 18 -3.933 0.235 8.361 1.00 0.00 N ATOM 236 CA LEU A 18 -4.387 1.620 8.298 1.00 0.00 C ATOM 237 C LEU A 18 -5.874 1.721 8.624 1.00 0.00 C ATOM 238 O LEU A 18 -6.619 0.754 8.468 1.00 0.00 O ATOM 239 CB LEU A 18 -4.116 2.204 6.911 1.00 0.00 C ATOM 240 CG LEU A 18 -2.689 2.047 6.384 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.546 0.746 5.610 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.311 3.234 5.509 1.00 0.00 C ATOM 0 H LEU A 18 -4.442 -0.404 7.750 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.832 2.193 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.798 1.735 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.359 3.266 6.932 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.009 2.016 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.524 0.652 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.775 -0.094 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.236 0.747 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.293 3.106 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.996 3.295 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.373 4.152 6.094 1.00 0.00 H new ATOM 254 N GLU A 19 -6.298 2.898 9.074 1.00 0.00 N ATOM 255 CA GLU A 19 -7.696 3.124 9.419 1.00 0.00 C ATOM 256 C GLU A 19 -8.248 4.342 8.683 1.00 0.00 C ATOM 257 O GLU A 19 -7.862 5.477 8.962 1.00 0.00 O ATOM 258 CB GLU A 19 -7.847 3.316 10.929 1.00 0.00 C ATOM 259 CG GLU A 19 -9.283 3.221 11.415 1.00 0.00 C ATOM 260 CD GLU A 19 -9.465 3.780 12.812 1.00 0.00 C ATOM 261 OE1 GLU A 19 -8.624 3.483 13.685 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.451 4.516 13.032 1.00 0.00 O ATOM 0 H GLU A 19 -5.694 3.709 9.208 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.266 2.247 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.248 2.565 11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.443 4.290 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.932 3.760 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.599 2.178 11.401 1.00 0.00 H new ATOM 269 N VAL A 20 -9.153 4.097 7.741 1.00 0.00 N ATOM 270 CA VAL A 20 -9.759 5.172 6.965 1.00 0.00 C ATOM 271 C VAL A 20 -11.271 5.001 6.875 1.00 0.00 C ATOM 272 O VAL A 20 -11.785 3.883 6.933 1.00 0.00 O ATOM 273 CB VAL A 20 -9.175 5.235 5.541 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.831 6.351 4.743 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.666 5.420 5.592 1.00 0.00 C ATOM 0 H VAL A 20 -9.483 3.163 7.497 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.532 6.103 7.484 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.385 4.291 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.405 6.380 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.904 6.169 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.655 7.305 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.270 5.462 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.431 6.348 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.214 4.582 6.123 1.00 0.00 H new ATOM 285 N LEU A 21 -11.980 6.115 6.733 1.00 0.00 N ATOM 286 CA LEU A 21 -13.435 6.089 6.634 1.00 0.00 C ATOM 287 C LEU A 21 -13.881 6.009 5.178 1.00 0.00 C ATOM 288 O LEU A 21 -13.268 6.613 4.298 1.00 0.00 O ATOM 289 CB LEU A 21 -14.034 7.332 7.295 1.00 0.00 C ATOM 290 CG LEU A 21 -15.488 7.215 7.751 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.602 6.272 8.939 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.049 8.586 8.101 1.00 0.00 C ATOM 0 H LEU A 21 -11.571 7.048 6.684 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.793 5.200 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.423 7.589 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.960 8.163 6.594 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.074 6.803 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.645 6.202 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.241 5.284 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.003 6.654 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.085 8.484 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.460 9.025 8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.004 9.232 7.224 1.00 0.00 H new ATOM 304 N GLU A 22 -14.952 5.262 4.932 1.00 0.00 N ATOM 305 CA GLU A 22 -15.480 5.105 3.582 1.00 0.00 C ATOM 306 C GLU A 22 -15.601 6.457 2.885 1.00 0.00 C ATOM 307 O GLU A 22 -15.833 7.480 3.527 1.00 0.00 O ATOM 308 CB GLU A 22 -16.845 4.415 3.621 1.00 0.00 C ATOM 309 CG GLU A 22 -17.654 4.593 2.347 1.00 0.00 C ATOM 310 CD GLU A 22 -18.769 3.574 2.216 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.568 3.443 3.168 1.00 0.00 O ATOM 312 OE2 GLU A 22 -18.843 2.907 1.164 1.00 0.00 O ATOM 0 H GLU A 22 -15.471 4.756 5.650 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.784 4.485 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.699 3.350 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.417 4.807 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.080 5.596 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.991 4.513 1.486 1.00 0.00 H new ATOM 319 N GLY A 23 -15.442 6.452 1.565 1.00 0.00 N ATOM 320 CA GLY A 23 -15.536 7.683 0.801 1.00 0.00 C ATOM 321 C GLY A 23 -14.231 8.453 0.781 1.00 0.00 C ATOM 322 O GLY A 23 -14.190 9.607 0.356 1.00 0.00 O ATOM 0 H GLY A 23 -15.250 5.618 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.833 7.451 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.319 8.312 1.225 1.00 0.00 H new ATOM 326 N GLY A 24 -13.160 7.815 1.244 1.00 0.00 N ATOM 327 CA GLY A 24 -11.863 8.464 1.271 1.00 0.00 C ATOM 328 C GLY A 24 -10.835 7.740 0.423 1.00 0.00 C ATOM 329 O GLY A 24 -11.172 7.146 -0.601 1.00 0.00 O ATOM 0 H GLY A 24 -13.168 6.860 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.966 9.489 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.508 8.517 2.300 1.00 0.00 H new ATOM 333 N ALA A 25 -9.578 7.791 0.849 1.00 0.00 N ATOM 334 CA ALA A 25 -8.498 7.135 0.122 1.00 0.00 C ATOM 335 C ALA A 25 -7.504 6.489 1.081 1.00 0.00 C ATOM 336 O ALA A 25 -7.348 6.930 2.219 1.00 0.00 O ATOM 337 CB ALA A 25 -7.789 8.131 -0.783 1.00 0.00 C ATOM 0 H ALA A 25 -9.282 8.280 1.694 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.934 6.348 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.985 7.627 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.500 8.543 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.373 8.938 -0.180 1.00 0.00 H new ATOM 343 N ALA A 26 -6.833 5.441 0.614 1.00 0.00 N ATOM 344 CA ALA A 26 -5.853 4.735 1.430 1.00 0.00 C ATOM 345 C ALA A 26 -4.447 4.900 0.864 1.00 0.00 C ATOM 346 O ALA A 26 -4.194 4.592 -0.301 1.00 0.00 O ATOM 347 CB ALA A 26 -6.214 3.260 1.530 1.00 0.00 C ATOM 0 H ALA A 26 -6.950 5.062 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.868 5.170 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.474 2.745 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.198 3.156 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.229 2.821 0.533 1.00 0.00 H new ATOM 353 N THR A 27 -3.533 5.389 1.697 1.00 0.00 N ATOM 354 CA THR A 27 -2.152 5.597 1.279 1.00 0.00 C ATOM 355 C THR A 27 -1.198 4.713 2.075 1.00 0.00 C ATOM 356 O THR A 27 -1.329 4.579 3.292 1.00 0.00 O ATOM 357 CB THR A 27 -1.730 7.069 1.446 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.570 7.912 0.650 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.277 7.265 1.042 1.00 0.00 C ATOM 0 H THR A 27 -3.724 5.648 2.665 1.00 0.00 H new ATOM 0 HA THR A 27 -2.097 5.329 0.224 1.00 0.00 H new ATOM 0 HB THR A 27 -1.837 7.338 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.297 8.846 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.002 8.312 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.362 6.644 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.148 6.980 -0.002 1.00 0.00 H new ATOM 367 N LEU A 28 -0.238 4.113 1.381 1.00 0.00 N ATOM 368 CA LEU A 28 0.740 3.242 2.023 1.00 0.00 C ATOM 369 C LEU A 28 2.092 3.939 2.148 1.00 0.00 C ATOM 370 O LEU A 28 2.569 4.564 1.201 1.00 0.00 O ATOM 371 CB LEU A 28 0.895 1.943 1.230 1.00 0.00 C ATOM 372 CG LEU A 28 -0.221 0.913 1.405 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.440 1.301 0.583 1.00 0.00 C ATOM 374 CD2 LEU A 28 0.268 -0.474 1.014 1.00 0.00 C ATOM 0 H LEU A 28 -0.116 4.214 0.373 1.00 0.00 H new ATOM 0 HA LEU A 28 0.378 3.008 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.968 2.193 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.839 1.478 1.514 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.509 0.893 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.224 0.556 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.804 2.275 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.167 1.350 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.539 -1.195 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.583 -0.468 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.111 -0.754 1.646 1.00 0.00 H new ATOM 386 N ARG A 29 2.704 3.825 3.322 1.00 0.00 N ATOM 387 CA ARG A 29 4.001 4.444 3.570 1.00 0.00 C ATOM 388 C ARG A 29 4.942 3.470 4.274 1.00 0.00 C ATOM 389 O ARG A 29 4.593 2.887 5.301 1.00 0.00 O ATOM 390 CB ARG A 29 3.833 5.708 4.415 1.00 0.00 C ATOM 391 CG ARG A 29 3.630 6.969 3.590 1.00 0.00 C ATOM 392 CD ARG A 29 3.785 8.221 4.439 1.00 0.00 C ATOM 393 NE ARG A 29 2.715 8.350 5.424 1.00 0.00 N ATOM 394 CZ ARG A 29 2.475 9.464 6.108 1.00 0.00 C ATOM 395 NH1 ARG A 29 3.226 10.539 5.913 1.00 0.00 N ATOM 396 NH2 ARG A 29 1.482 9.503 6.987 1.00 0.00 N ATOM 0 H ARG A 29 2.323 3.310 4.116 1.00 0.00 H new ATOM 0 HA ARG A 29 4.437 4.713 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.980 5.579 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.714 5.834 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.351 6.991 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.638 6.954 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.747 8.195 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.791 9.099 3.793 1.00 0.00 H new ATOM 0 HE ARG A 29 2.119 7.541 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.989 10.512 5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.040 11.393 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.902 8.678 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.299 10.358 7.512 1.00 0.00 H new ATOM 410 N CYS A 30 6.134 3.299 3.714 1.00 0.00 N ATOM 411 CA CYS A 30 7.125 2.395 4.288 1.00 0.00 C ATOM 412 C CYS A 30 8.529 2.758 3.816 1.00 0.00 C ATOM 413 O CYS A 30 8.765 2.950 2.623 1.00 0.00 O ATOM 414 CB CYS A 30 6.805 0.948 3.909 1.00 0.00 C ATOM 415 SG CYS A 30 7.015 0.581 2.151 1.00 0.00 S ATOM 0 H CYS A 30 6.438 3.774 2.864 1.00 0.00 H new ATOM 0 HA CYS A 30 7.088 2.496 5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.446 0.282 4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.776 0.728 4.195 1.00 0.00 H new ATOM 0 HG CYS A 30 5.897 0.803 1.525 1.00 0.00 H new ATOM 421 N VAL A 31 9.459 2.852 4.761 1.00 0.00 N ATOM 422 CA VAL A 31 10.841 3.193 4.443 1.00 0.00 C ATOM 423 C VAL A 31 11.741 1.965 4.518 1.00 0.00 C ATOM 424 O VAL A 31 11.629 1.155 5.438 1.00 0.00 O ATOM 425 CB VAL A 31 11.385 4.275 5.395 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.879 4.470 5.183 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.636 5.584 5.198 1.00 0.00 C ATOM 0 H VAL A 31 9.281 2.697 5.753 1.00 0.00 H new ATOM 0 HA VAL A 31 10.846 3.581 3.424 1.00 0.00 H new ATOM 0 HB VAL A 31 11.227 3.944 6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.246 5.238 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.400 3.533 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.063 4.779 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.034 6.337 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.760 5.923 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.577 5.432 5.404 1.00 0.00 H new ATOM 437 N LEU A 32 12.635 1.834 3.544 1.00 0.00 N ATOM 438 CA LEU A 32 13.557 0.704 3.499 1.00 0.00 C ATOM 439 C LEU A 32 14.963 1.132 3.908 1.00 0.00 C ATOM 440 O LEU A 32 15.295 2.317 3.877 1.00 0.00 O ATOM 441 CB LEU A 32 13.584 0.098 2.095 1.00 0.00 C ATOM 442 CG LEU A 32 12.222 -0.180 1.458 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.339 -0.213 -0.058 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.646 -1.488 1.979 1.00 0.00 C ATOM 0 H LEU A 32 12.741 2.496 2.775 1.00 0.00 H new ATOM 0 HA LEU A 32 13.206 -0.048 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.138 0.771 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.142 -0.838 2.135 1.00 0.00 H new ATOM 0 HG LEU A 32 11.543 0.627 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.360 -0.412 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.707 0.749 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.034 -0.999 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.677 -1.669 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.324 -2.306 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.524 -1.427 3.060 1.00 0.00 H new ATOM 456 N SER A 33 15.785 0.159 4.288 1.00 0.00 N ATOM 457 CA SER A 33 17.155 0.435 4.704 1.00 0.00 C ATOM 458 C SER A 33 17.849 1.361 3.710 1.00 0.00 C ATOM 459 O SER A 33 18.574 2.276 4.099 1.00 0.00 O ATOM 460 CB SER A 33 17.942 -0.870 4.839 1.00 0.00 C ATOM 461 OG SER A 33 19.270 -0.622 5.268 1.00 0.00 O ATOM 0 H SER A 33 15.526 -0.827 4.316 1.00 0.00 H new ATOM 0 HA SER A 33 17.121 0.932 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.443 -1.527 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.957 -1.390 3.881 1.00 0.00 H new ATOM 0 HG SER A 33 19.752 -1.472 5.348 1.00 0.00 H new ATOM 467 N SER A 34 17.620 1.116 2.424 1.00 0.00 N ATOM 468 CA SER A 34 18.225 1.924 1.372 1.00 0.00 C ATOM 469 C SER A 34 17.315 1.995 0.150 1.00 0.00 C ATOM 470 O SER A 34 16.662 1.016 -0.211 1.00 0.00 O ATOM 471 CB SER A 34 19.586 1.347 0.976 1.00 0.00 C ATOM 472 OG SER A 34 20.591 1.730 1.899 1.00 0.00 O ATOM 0 H SER A 34 17.020 0.364 2.085 1.00 0.00 H new ATOM 0 HA SER A 34 18.365 2.934 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.524 0.260 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.854 1.692 -0.022 1.00 0.00 H new ATOM 0 HG SER A 34 20.172 2.094 2.706 1.00 0.00 H new ATOM 478 N VAL A 35 17.277 3.163 -0.484 1.00 0.00 N ATOM 479 CA VAL A 35 16.448 3.364 -1.667 1.00 0.00 C ATOM 480 C VAL A 35 16.729 2.301 -2.723 1.00 0.00 C ATOM 481 O VAL A 35 17.883 1.963 -2.986 1.00 0.00 O ATOM 482 CB VAL A 35 16.677 4.757 -2.283 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.164 5.043 -2.418 1.00 0.00 C ATOM 484 CG2 VAL A 35 15.980 4.864 -3.631 1.00 0.00 C ATOM 0 H VAL A 35 17.810 3.984 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 35 15.410 3.284 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 35 16.247 5.505 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.306 6.031 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.632 5.011 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.622 4.292 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.152 5.855 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.378 4.108 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.909 4.706 -3.501 1.00 0.00 H new ATOM 494 N ALA A 36 15.667 1.777 -3.325 1.00 0.00 N ATOM 495 CA ALA A 36 15.800 0.754 -4.355 1.00 0.00 C ATOM 496 C ALA A 36 14.560 0.702 -5.241 1.00 0.00 C ATOM 497 O ALA A 36 13.457 1.024 -4.800 1.00 0.00 O ATOM 498 CB ALA A 36 16.053 -0.605 -3.719 1.00 0.00 C ATOM 0 H ALA A 36 14.705 2.044 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 36 16.652 1.014 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.150 -1.360 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.972 -0.568 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.218 -0.863 -3.067 1.00 0.00 H new ATOM 504 N ALA A 37 14.749 0.297 -6.492 1.00 0.00 N ATOM 505 CA ALA A 37 13.646 0.203 -7.440 1.00 0.00 C ATOM 506 C ALA A 37 14.106 -0.408 -8.759 1.00 0.00 C ATOM 507 O ALA A 37 15.300 -0.539 -9.028 1.00 0.00 O ATOM 508 CB ALA A 37 13.035 1.576 -7.677 1.00 0.00 C ATOM 0 H ALA A 37 15.656 0.029 -6.873 1.00 0.00 H new ATOM 0 HA ALA A 37 12.887 -0.451 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.212 1.491 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.661 1.975 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.794 2.247 -8.080 1.00 0.00 H new ATOM 514 N PRO A 38 13.137 -0.793 -9.604 1.00 0.00 N ATOM 515 CA PRO A 38 11.712 -0.644 -9.295 1.00 0.00 C ATOM 516 C PRO A 38 11.257 -1.588 -8.187 1.00 0.00 C ATOM 517 O PRO A 38 11.983 -2.505 -7.802 1.00 0.00 O ATOM 518 CB PRO A 38 11.024 -0.998 -10.615 1.00 0.00 C ATOM 519 CG PRO A 38 11.990 -1.886 -11.320 1.00 0.00 C ATOM 520 CD PRO A 38 13.359 -1.405 -10.925 1.00 0.00 C ATOM 0 HA PRO A 38 11.477 0.356 -8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.074 -1.504 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.808 -0.105 -11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.844 -2.927 -11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.854 -1.831 -12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.074 -2.226 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.754 -0.684 -11.641 1.00 0.00 H new ATOM 528 N VAL A 39 10.051 -1.358 -7.678 1.00 0.00 N ATOM 529 CA VAL A 39 9.498 -2.189 -6.616 1.00 0.00 C ATOM 530 C VAL A 39 8.300 -2.991 -7.112 1.00 0.00 C ATOM 531 O VAL A 39 7.599 -2.575 -8.035 1.00 0.00 O ATOM 532 CB VAL A 39 9.067 -1.340 -5.405 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.758 -2.230 -4.211 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.144 -0.323 -5.058 1.00 0.00 C ATOM 0 H VAL A 39 9.438 -0.602 -7.984 1.00 0.00 H new ATOM 0 HA VAL A 39 10.288 -2.874 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 39 8.158 -0.798 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.455 -1.612 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.950 -2.915 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.647 -2.801 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.823 0.268 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.070 -0.843 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.311 0.335 -5.911 1.00 0.00 H new ATOM 544 N LYS A 40 8.069 -4.144 -6.493 1.00 0.00 N ATOM 545 CA LYS A 40 6.955 -5.005 -6.869 1.00 0.00 C ATOM 546 C LYS A 40 5.874 -4.999 -5.793 1.00 0.00 C ATOM 547 O LYS A 40 6.162 -5.188 -4.611 1.00 0.00 O ATOM 548 CB LYS A 40 7.446 -6.435 -7.106 1.00 0.00 C ATOM 549 CG LYS A 40 6.452 -7.303 -7.859 1.00 0.00 C ATOM 550 CD LYS A 40 6.462 -6.998 -9.347 1.00 0.00 C ATOM 551 CE LYS A 40 5.391 -7.787 -10.085 1.00 0.00 C ATOM 552 NZ LYS A 40 5.817 -9.189 -10.349 1.00 0.00 N ATOM 0 H LYS A 40 8.640 -4.504 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 40 6.525 -4.617 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.382 -6.401 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.665 -6.899 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.692 -8.354 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.451 -7.141 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.301 -5.931 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.441 -7.236 -9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.473 -7.791 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.162 -7.293 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.060 -9.693 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.679 -9.186 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.011 -9.669 -9.447 1.00 0.00 H new ATOM 566 N TRP A 41 4.632 -4.782 -6.209 1.00 0.00 N ATOM 567 CA TRP A 41 3.509 -4.752 -5.279 1.00 0.00 C ATOM 568 C TRP A 41 2.615 -5.973 -5.466 1.00 0.00 C ATOM 569 O TRP A 41 2.661 -6.634 -6.505 1.00 0.00 O ATOM 570 CB TRP A 41 2.693 -3.473 -5.473 1.00 0.00 C ATOM 571 CG TRP A 41 3.418 -2.235 -5.041 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.528 -1.690 -5.622 1.00 0.00 C ATOM 573 CD2 TRP A 41 3.086 -1.389 -3.935 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.905 -0.556 -4.944 1.00 0.00 N ATOM 575 CE2 TRP A 41 4.036 -0.349 -3.905 1.00 0.00 C ATOM 576 CE3 TRP A 41 2.077 -1.406 -2.968 1.00 0.00 C ATOM 577 CZ2 TRP A 41 4.006 0.659 -2.946 1.00 0.00 C ATOM 578 CZ3 TRP A 41 2.048 -0.405 -2.017 1.00 0.00 C ATOM 579 CH2 TRP A 41 3.007 0.617 -2.011 1.00 0.00 C ATOM 0 H TRP A 41 4.377 -4.624 -7.184 1.00 0.00 H new ATOM 0 HA TRP A 41 3.909 -4.769 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.423 -3.379 -6.525 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.763 -3.555 -4.911 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.035 -2.092 -6.487 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.703 0.036 -5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.333 -2.189 -2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.745 1.447 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.273 -0.410 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.957 1.386 -1.254 1.00 0.00 H new ATOM 590 N CYS A 42 1.804 -6.268 -4.457 1.00 0.00 N ATOM 591 CA CYS A 42 0.899 -7.411 -4.511 1.00 0.00 C ATOM 592 C CYS A 42 -0.363 -7.144 -3.698 1.00 0.00 C ATOM 593 O CYS A 42 -0.296 -6.665 -2.566 1.00 0.00 O ATOM 594 CB CYS A 42 1.600 -8.667 -3.990 1.00 0.00 C ATOM 595 SG CYS A 42 2.462 -9.614 -5.266 1.00 0.00 S ATOM 0 H CYS A 42 1.754 -5.732 -3.591 1.00 0.00 H new ATOM 0 HA CYS A 42 0.613 -7.568 -5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.316 -8.378 -3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.861 -9.310 -3.512 1.00 0.00 H new ATOM 0 HG CYS A 42 2.852 -8.812 -6.212 1.00 0.00 H new ATOM 601 N TYR A 43 -1.514 -7.455 -4.284 1.00 0.00 N ATOM 602 CA TYR A 43 -2.793 -7.245 -3.617 1.00 0.00 C ATOM 603 C TYR A 43 -3.830 -8.258 -4.094 1.00 0.00 C ATOM 604 O TYR A 43 -3.991 -8.479 -5.293 1.00 0.00 O ATOM 605 CB TYR A 43 -3.298 -5.824 -3.871 1.00 0.00 C ATOM 606 CG TYR A 43 -4.804 -5.698 -3.821 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.584 -6.027 -4.923 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.446 -5.249 -2.674 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.961 -5.912 -4.882 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.821 -5.133 -2.624 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.574 -5.466 -3.731 1.00 0.00 C ATOM 612 OH TYR A 43 -8.945 -5.350 -3.686 1.00 0.00 O ATOM 0 H TYR A 43 -1.587 -7.854 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.642 -7.384 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.861 -5.154 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.946 -5.492 -4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.107 -6.378 -5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.859 -4.986 -1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.553 -6.170 -5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.304 -4.784 -1.724 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.217 -5.023 -2.803 1.00 0.00 H new ATOM 622 N GLY A 44 -4.531 -8.869 -3.144 1.00 0.00 N ATOM 623 CA GLY A 44 -5.544 -9.851 -3.486 1.00 0.00 C ATOM 624 C GLY A 44 -5.173 -10.665 -4.709 1.00 0.00 C ATOM 625 O GLY A 44 -5.889 -10.657 -5.709 1.00 0.00 O ATOM 0 H GLY A 44 -4.416 -8.702 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.696 -10.521 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.492 -9.343 -3.665 1.00 0.00 H new ATOM 629 N ASN A 45 -4.048 -11.370 -4.630 1.00 0.00 N ATOM 630 CA ASN A 45 -3.582 -12.192 -5.741 1.00 0.00 C ATOM 631 C ASN A 45 -3.511 -11.377 -7.029 1.00 0.00 C ATOM 632 O ASN A 45 -4.000 -11.804 -8.074 1.00 0.00 O ATOM 633 CB ASN A 45 -4.506 -13.395 -5.936 1.00 0.00 C ATOM 634 CG ASN A 45 -3.853 -14.501 -6.742 1.00 0.00 C ATOM 635 OD1 ASN A 45 -2.650 -14.737 -6.633 1.00 0.00 O ATOM 636 ND2 ASN A 45 -4.647 -15.186 -7.557 1.00 0.00 N ATOM 0 H ASN A 45 -3.443 -11.388 -3.809 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.580 -12.547 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.801 -13.785 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.417 -13.072 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.265 -15.942 -8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.639 -14.956 -7.615 1.00 0.00 H new ATOM 643 N ASN A 46 -2.899 -10.200 -6.945 1.00 0.00 N ATOM 644 CA ASN A 46 -2.764 -9.324 -8.104 1.00 0.00 C ATOM 645 C ASN A 46 -1.611 -8.344 -7.914 1.00 0.00 C ATOM 646 O ASN A 46 -0.893 -8.400 -6.915 1.00 0.00 O ATOM 647 CB ASN A 46 -4.066 -8.557 -8.344 1.00 0.00 C ATOM 648 CG ASN A 46 -5.191 -9.460 -8.812 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.267 -9.681 -10.120 1.00 0.00 O flip ATOM 650 ND2 ASN A 46 -5.982 -9.953 -8.008 1.00 0.00 N flip ATOM 0 H ASN A 46 -2.489 -9.831 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.550 -9.945 -8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.365 -8.057 -7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.894 -7.779 -9.088 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.886 -9.756 -7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.734 -10.559 -8.338 1.00 0.00 H new ATOM 657 N VAL A 47 -1.440 -7.445 -8.878 1.00 0.00 N ATOM 658 CA VAL A 47 -0.375 -6.451 -8.817 1.00 0.00 C ATOM 659 C VAL A 47 -0.946 -5.040 -8.724 1.00 0.00 C ATOM 660 O VAL A 47 -1.884 -4.689 -9.441 1.00 0.00 O ATOM 661 CB VAL A 47 0.547 -6.540 -10.047 1.00 0.00 C ATOM 662 CG1 VAL A 47 -0.251 -6.348 -11.328 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.666 -5.514 -9.948 1.00 0.00 C ATOM 0 H VAL A 47 -2.026 -7.385 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 47 0.207 -6.665 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 47 0.996 -7.533 -10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.417 -6.414 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.014 -7.123 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.729 -5.369 -11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.308 -5.590 -10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.238 -4.513 -9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.254 -5.703 -9.050 1.00 0.00 H new ATOM 673 N LEU A 48 -0.374 -4.234 -7.836 1.00 0.00 N ATOM 674 CA LEU A 48 -0.825 -2.860 -7.648 1.00 0.00 C ATOM 675 C LEU A 48 0.031 -1.891 -8.457 1.00 0.00 C ATOM 676 O LEU A 48 1.055 -1.404 -7.979 1.00 0.00 O ATOM 677 CB LEU A 48 -0.778 -2.485 -6.166 1.00 0.00 C ATOM 678 CG LEU A 48 -1.635 -3.338 -5.230 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.323 -3.013 -3.777 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.113 -3.127 -5.520 1.00 0.00 C ATOM 0 H LEU A 48 0.403 -4.509 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.854 -2.790 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.257 -2.541 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.090 -1.445 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.397 -4.387 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.942 -3.629 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.271 -3.216 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.532 -1.960 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.708 -3.742 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.366 -2.077 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.326 -3.411 -6.551 1.00 0.00 H new ATOM 692 N ARG A 49 -0.397 -1.614 -9.685 1.00 0.00 N ATOM 693 CA ARG A 49 0.329 -0.702 -10.560 1.00 0.00 C ATOM 694 C ARG A 49 -0.333 0.672 -10.583 1.00 0.00 C ATOM 695 O ARG A 49 -1.528 0.817 -10.326 1.00 0.00 O ATOM 696 CB ARG A 49 0.399 -1.270 -11.979 1.00 0.00 C ATOM 697 CG ARG A 49 1.323 -2.470 -12.109 1.00 0.00 C ATOM 698 CD ARG A 49 1.720 -2.713 -13.557 1.00 0.00 C ATOM 699 NE ARG A 49 0.590 -3.163 -14.366 1.00 0.00 N ATOM 700 CZ ARG A 49 0.656 -3.354 -15.679 1.00 0.00 C ATOM 701 NH1 ARG A 49 1.792 -3.134 -16.328 1.00 0.00 N ATOM 702 NH2 ARG A 49 -0.415 -3.765 -16.346 1.00 0.00 N ATOM 0 H ARG A 49 -1.243 -2.009 -10.096 1.00 0.00 H new ATOM 0 HA ARG A 49 1.341 -0.592 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.603 -1.558 -12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.736 -0.487 -12.659 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.218 -2.309 -11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.828 -3.356 -11.713 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.126 -1.794 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.513 -3.460 -13.595 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.298 -3.340 -13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.617 -2.818 -15.819 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.840 -3.281 -17.336 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.290 -3.935 -15.851 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.363 -3.911 -17.354 1.00 0.00 H new ATOM 716 N PRO A 50 0.461 1.707 -10.898 1.00 0.00 N ATOM 717 CA PRO A 50 -0.026 3.088 -10.962 1.00 0.00 C ATOM 718 C PRO A 50 -0.961 3.318 -12.145 1.00 0.00 C ATOM 719 O PRO A 50 -0.973 2.542 -13.100 1.00 0.00 O ATOM 720 CB PRO A 50 1.255 3.909 -11.125 1.00 0.00 C ATOM 721 CG PRO A 50 2.228 2.972 -11.754 1.00 0.00 C ATOM 722 CD PRO A 50 1.895 1.608 -11.216 1.00 0.00 C ATOM 0 HA PRO A 50 -0.610 3.356 -10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.087 4.785 -11.752 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.619 4.271 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.145 2.994 -12.841 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.253 3.250 -11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.090 0.827 -11.951 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.487 1.369 -10.332 1.00 0.00 H new ATOM 730 N GLY A 51 -1.743 4.391 -12.075 1.00 0.00 N ATOM 731 CA GLY A 51 -2.670 4.705 -13.147 1.00 0.00 C ATOM 732 C GLY A 51 -3.741 5.688 -12.719 1.00 0.00 C ATOM 733 O GLY A 51 -3.455 6.662 -12.022 1.00 0.00 O ATOM 0 H GLY A 51 -1.751 5.048 -11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.118 5.119 -13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.143 3.786 -13.495 1.00 0.00 H new ATOM 737 N ASP A 52 -4.976 5.435 -13.137 1.00 0.00 N ATOM 738 CA ASP A 52 -6.093 6.307 -12.793 1.00 0.00 C ATOM 739 C ASP A 52 -6.708 5.901 -11.457 1.00 0.00 C ATOM 740 O ASP A 52 -7.180 6.746 -10.696 1.00 0.00 O ATOM 741 CB ASP A 52 -7.157 6.265 -13.891 1.00 0.00 C ATOM 742 CG ASP A 52 -8.087 7.462 -13.842 1.00 0.00 C ATOM 743 OD1 ASP A 52 -7.634 8.579 -14.166 1.00 0.00 O ATOM 744 OD2 ASP A 52 -9.268 7.280 -13.479 1.00 0.00 O ATOM 0 H ASP A 52 -5.229 4.633 -13.715 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.713 7.325 -12.704 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.669 6.227 -14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.741 5.350 -13.792 1.00 0.00 H new ATOM 749 N LYS A 53 -6.699 4.602 -11.178 1.00 0.00 N ATOM 750 CA LYS A 53 -7.254 4.082 -9.934 1.00 0.00 C ATOM 751 C LYS A 53 -6.198 4.058 -8.834 1.00 0.00 C ATOM 752 O LYS A 53 -6.486 4.360 -7.676 1.00 0.00 O ATOM 753 CB LYS A 53 -7.813 2.674 -10.150 1.00 0.00 C ATOM 754 CG LYS A 53 -8.344 2.029 -8.881 1.00 0.00 C ATOM 755 CD LYS A 53 -9.710 2.579 -8.505 1.00 0.00 C ATOM 756 CE LYS A 53 -10.362 1.749 -7.410 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.042 0.543 -7.959 1.00 0.00 N ATOM 0 H LYS A 53 -6.313 3.889 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.062 4.743 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.615 2.720 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.030 2.042 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.411 0.950 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.644 2.202 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.608 3.611 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.353 2.592 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.606 1.442 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.086 2.361 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.474 0.004 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.781 0.836 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.347 -0.054 -8.450 1.00 0.00 H new ATOM 771 N TYR A 54 -4.974 3.698 -9.204 1.00 0.00 N ATOM 772 CA TYR A 54 -3.874 3.634 -8.249 1.00 0.00 C ATOM 773 C TYR A 54 -2.759 4.600 -8.636 1.00 0.00 C ATOM 774 O TYR A 54 -2.802 5.222 -9.697 1.00 0.00 O ATOM 775 CB TYR A 54 -3.325 2.209 -8.167 1.00 0.00 C ATOM 776 CG TYR A 54 -4.276 1.230 -7.517 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.375 1.140 -6.134 1.00 0.00 C ATOM 778 CD2 TYR A 54 -5.075 0.393 -8.286 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.242 0.246 -5.536 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.946 -0.503 -7.697 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.026 -0.572 -6.322 1.00 0.00 C ATOM 782 OH TYR A 54 -6.891 -1.464 -5.731 1.00 0.00 O ATOM 0 H TYR A 54 -4.719 3.446 -10.159 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.258 3.925 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.090 1.861 -9.173 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.390 2.221 -7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.763 1.780 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.014 0.444 -9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.305 0.188 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.561 -1.146 -8.310 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.370 -1.964 -6.425 1.00 0.00 H new ATOM 792 N SER A 55 -1.760 4.719 -7.767 1.00 0.00 N ATOM 793 CA SER A 55 -0.633 5.611 -8.016 1.00 0.00 C ATOM 794 C SER A 55 0.590 5.177 -7.213 1.00 0.00 C ATOM 795 O SER A 55 0.469 4.696 -6.086 1.00 0.00 O ATOM 796 CB SER A 55 -1.007 7.051 -7.659 1.00 0.00 C ATOM 797 OG SER A 55 -1.582 7.718 -8.769 1.00 0.00 O ATOM 0 H SER A 55 -1.708 4.209 -6.885 1.00 0.00 H new ATOM 0 HA SER A 55 -0.387 5.559 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.710 7.052 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.119 7.589 -7.327 1.00 0.00 H new ATOM 0 HG SER A 55 -2.092 7.077 -9.307 1.00 0.00 H new ATOM 803 N LEU A 56 1.768 5.351 -7.802 1.00 0.00 N ATOM 804 CA LEU A 56 3.015 4.979 -7.143 1.00 0.00 C ATOM 805 C LEU A 56 4.058 6.083 -7.286 1.00 0.00 C ATOM 806 O LEU A 56 4.249 6.632 -8.371 1.00 0.00 O ATOM 807 CB LEU A 56 3.554 3.673 -7.729 1.00 0.00 C ATOM 808 CG LEU A 56 2.840 2.394 -7.289 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.451 2.320 -7.904 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.659 1.169 -7.668 1.00 0.00 C ATOM 0 H LEU A 56 1.886 5.747 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 56 2.808 4.836 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.503 3.738 -8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.608 3.587 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 56 2.734 2.414 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.958 1.404 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.864 3.181 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.534 2.323 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.136 0.268 -7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.796 1.143 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.632 1.217 -7.180 1.00 0.00 H new ATOM 822 N ARG A 57 4.731 6.401 -6.185 1.00 0.00 N ATOM 823 CA ARG A 57 5.755 7.438 -6.189 1.00 0.00 C ATOM 824 C ARG A 57 6.888 7.087 -5.229 1.00 0.00 C ATOM 825 O ARG A 57 6.673 6.946 -4.026 1.00 0.00 O ATOM 826 CB ARG A 57 5.146 8.788 -5.804 1.00 0.00 C ATOM 827 CG ARG A 57 4.160 9.326 -6.828 1.00 0.00 C ATOM 828 CD ARG A 57 4.042 10.840 -6.745 1.00 0.00 C ATOM 829 NE ARG A 57 2.765 11.318 -7.267 1.00 0.00 N ATOM 830 CZ ARG A 57 2.314 12.555 -7.086 1.00 0.00 C ATOM 831 NH1 ARG A 57 3.033 13.433 -6.401 1.00 0.00 N ATOM 832 NH2 ARG A 57 1.141 12.915 -7.592 1.00 0.00 N ATOM 0 H ARG A 57 4.585 5.955 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 57 6.164 7.506 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.641 8.688 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.948 9.513 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.481 9.039 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.182 8.874 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.151 11.156 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.857 11.299 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 57 2.188 10.667 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.935 13.160 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.684 14.382 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.585 12.242 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.795 13.864 -7.453 1.00 0.00 H new ATOM 846 N GLN A 58 8.094 6.947 -5.771 1.00 0.00 N ATOM 847 CA GLN A 58 9.260 6.611 -4.963 1.00 0.00 C ATOM 848 C GLN A 58 9.971 7.872 -4.483 1.00 0.00 C ATOM 849 O GLN A 58 10.260 8.771 -5.271 1.00 0.00 O ATOM 850 CB GLN A 58 10.228 5.739 -5.764 1.00 0.00 C ATOM 851 CG GLN A 58 11.132 4.879 -4.896 1.00 0.00 C ATOM 852 CD GLN A 58 10.530 3.521 -4.592 1.00 0.00 C ATOM 853 OE1 GLN A 58 9.440 3.194 -5.062 1.00 0.00 O ATOM 854 NE2 GLN A 58 11.238 2.722 -3.803 1.00 0.00 N ATOM 0 H GLN A 58 8.289 7.061 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 58 8.918 6.054 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.656 5.093 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.845 6.380 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.090 4.743 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.334 5.400 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.137 3.034 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.883 1.796 -3.564 1.00 0.00 H new ATOM 863 N GLU A 59 10.249 7.930 -3.184 1.00 0.00 N ATOM 864 CA GLU A 59 10.925 9.082 -2.599 1.00 0.00 C ATOM 865 C GLU A 59 12.143 8.645 -1.790 1.00 0.00 C ATOM 866 O GLU A 59 12.081 8.533 -0.566 1.00 0.00 O ATOM 867 CB GLU A 59 9.962 9.869 -1.708 1.00 0.00 C ATOM 868 CG GLU A 59 10.327 11.337 -1.564 1.00 0.00 C ATOM 869 CD GLU A 59 9.412 12.075 -0.606 1.00 0.00 C ATOM 870 OE1 GLU A 59 8.192 12.120 -0.868 1.00 0.00 O ATOM 871 OE2 GLU A 59 9.916 12.607 0.405 1.00 0.00 O ATOM 0 H GLU A 59 10.017 7.193 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 59 11.262 9.725 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.955 9.792 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.938 9.411 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.356 11.419 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.285 11.816 -2.542 1.00 0.00 H new ATOM 878 N GLY A 60 13.251 8.400 -2.483 1.00 0.00 N ATOM 879 CA GLY A 60 14.467 7.977 -1.814 1.00 0.00 C ATOM 880 C GLY A 60 14.191 7.078 -0.625 1.00 0.00 C ATOM 881 O GLY A 60 14.050 7.553 0.502 1.00 0.00 O ATOM 0 H GLY A 60 13.328 8.487 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.104 7.450 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.019 8.856 -1.481 1.00 0.00 H new ATOM 885 N ALA A 61 14.113 5.775 -0.875 1.00 0.00 N ATOM 886 CA ALA A 61 13.853 4.808 0.184 1.00 0.00 C ATOM 887 C ALA A 61 12.519 5.087 0.866 1.00 0.00 C ATOM 888 O ALA A 61 12.443 5.168 2.092 1.00 0.00 O ATOM 889 CB ALA A 61 14.983 4.825 1.203 1.00 0.00 C ATOM 0 H ALA A 61 14.226 5.365 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 61 13.800 3.817 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.776 4.098 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.921 4.569 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.063 5.820 1.641 1.00 0.00 H new ATOM 895 N MET A 62 11.469 5.233 0.065 1.00 0.00 N ATOM 896 CA MET A 62 10.136 5.503 0.593 1.00 0.00 C ATOM 897 C MET A 62 9.067 5.216 -0.457 1.00 0.00 C ATOM 898 O MET A 62 9.013 5.873 -1.497 1.00 0.00 O ATOM 899 CB MET A 62 10.033 6.956 1.059 1.00 0.00 C ATOM 900 CG MET A 62 8.926 7.192 2.073 1.00 0.00 C ATOM 901 SD MET A 62 9.002 8.834 2.816 1.00 0.00 S ATOM 902 CE MET A 62 8.398 8.487 4.466 1.00 0.00 C ATOM 0 H MET A 62 11.515 5.169 -0.952 1.00 0.00 H new ATOM 0 HA MET A 62 9.970 4.844 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.985 7.257 1.496 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.863 7.596 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.959 7.062 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.991 6.439 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.051 9.411 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.573 7.777 4.410 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.202 8.061 5.066 1.00 0.00 H new ATOM 912 N LEU A 63 8.219 4.232 -0.177 1.00 0.00 N ATOM 913 CA LEU A 63 7.151 3.858 -1.098 1.00 0.00 C ATOM 914 C LEU A 63 5.895 4.684 -0.839 1.00 0.00 C ATOM 915 O LEU A 63 5.722 5.244 0.243 1.00 0.00 O ATOM 916 CB LEU A 63 6.832 2.368 -0.963 1.00 0.00 C ATOM 917 CG LEU A 63 7.871 1.405 -1.537 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.383 1.909 -2.878 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.023 1.218 -0.561 1.00 0.00 C ATOM 0 H LEU A 63 8.250 3.679 0.680 1.00 0.00 H new ATOM 0 HA LEU A 63 7.493 4.059 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.699 2.140 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.878 2.175 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 63 7.393 0.438 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.122 1.211 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.551 1.990 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.843 2.888 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.753 0.529 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.499 2.180 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.643 0.811 0.376 1.00 0.00 H new ATOM 931 N GLU A 64 5.022 4.753 -1.839 1.00 0.00 N ATOM 932 CA GLU A 64 3.781 5.510 -1.718 1.00 0.00 C ATOM 933 C GLU A 64 2.724 4.979 -2.682 1.00 0.00 C ATOM 934 O GLU A 64 2.890 5.045 -3.901 1.00 0.00 O ATOM 935 CB GLU A 64 4.034 6.995 -1.988 1.00 0.00 C ATOM 936 CG GLU A 64 2.926 7.903 -1.483 1.00 0.00 C ATOM 937 CD GLU A 64 3.303 9.371 -1.542 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.100 9.993 -2.605 1.00 0.00 O ATOM 939 OE2 GLU A 64 3.801 9.897 -0.525 1.00 0.00 O ATOM 0 H GLU A 64 5.151 4.295 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 64 3.411 5.392 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.973 7.286 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.155 7.145 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.027 7.738 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.682 7.635 -0.455 1.00 0.00 H new ATOM 946 N LEU A 65 1.638 4.453 -2.128 1.00 0.00 N ATOM 947 CA LEU A 65 0.552 3.910 -2.937 1.00 0.00 C ATOM 948 C LEU A 65 -0.782 4.542 -2.554 1.00 0.00 C ATOM 949 O LEU A 65 -1.361 4.216 -1.518 1.00 0.00 O ATOM 950 CB LEU A 65 0.476 2.391 -2.770 1.00 0.00 C ATOM 951 CG LEU A 65 -0.637 1.686 -3.546 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.294 1.614 -5.025 1.00 0.00 C ATOM 953 CD2 LEU A 65 -0.878 0.292 -2.984 1.00 0.00 C ATOM 0 H LEU A 65 1.485 4.391 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 65 0.758 4.145 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.431 1.964 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.351 2.168 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.554 2.265 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.098 1.109 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.172 2.623 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.635 1.059 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.673 -0.195 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.036 -0.296 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.170 0.367 -1.937 1.00 0.00 H new ATOM 965 N VAL A 66 -1.265 5.448 -3.399 1.00 0.00 N ATOM 966 CA VAL A 66 -2.533 6.124 -3.151 1.00 0.00 C ATOM 967 C VAL A 66 -3.704 5.312 -3.692 1.00 0.00 C ATOM 968 O VAL A 66 -3.698 4.888 -4.848 1.00 0.00 O ATOM 969 CB VAL A 66 -2.556 7.526 -3.790 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.866 8.233 -3.479 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.369 8.349 -3.310 1.00 0.00 C ATOM 0 H VAL A 66 -0.798 5.730 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.632 6.223 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.479 7.415 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.864 9.221 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.697 7.650 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.977 8.335 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.401 9.336 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.413 8.453 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.442 7.848 -3.589 1.00 0.00 H new ATOM 981 N VAL A 67 -4.709 5.099 -2.849 1.00 0.00 N ATOM 982 CA VAL A 67 -5.889 4.339 -3.243 1.00 0.00 C ATOM 983 C VAL A 67 -7.151 5.187 -3.133 1.00 0.00 C ATOM 984 O VAL A 67 -7.523 5.628 -2.045 1.00 0.00 O ATOM 985 CB VAL A 67 -6.057 3.075 -2.378 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.133 2.170 -2.958 1.00 0.00 C ATOM 987 CG2 VAL A 67 -4.734 2.334 -2.256 1.00 0.00 C ATOM 0 H VAL A 67 -4.730 5.442 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.742 4.043 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.371 3.378 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.237 1.283 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.082 2.706 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.852 1.872 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.871 1.444 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.388 2.041 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.994 2.985 -1.791 1.00 0.00 H new ATOM 997 N ARG A 68 -7.807 5.412 -4.267 1.00 0.00 N ATOM 998 CA ARG A 68 -9.028 6.208 -4.299 1.00 0.00 C ATOM 999 C ARG A 68 -10.253 5.318 -4.485 1.00 0.00 C ATOM 1000 O ARG A 68 -10.135 4.154 -4.865 1.00 0.00 O ATOM 1001 CB ARG A 68 -8.959 7.240 -5.426 1.00 0.00 C ATOM 1002 CG ARG A 68 -7.808 8.223 -5.283 1.00 0.00 C ATOM 1003 CD ARG A 68 -7.903 9.345 -6.305 1.00 0.00 C ATOM 1004 NE ARG A 68 -6.924 10.399 -6.053 1.00 0.00 N ATOM 1005 CZ ARG A 68 -6.524 11.266 -6.976 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -7.017 11.206 -8.205 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -5.629 12.197 -6.670 1.00 0.00 N ATOM 0 H ARG A 68 -7.513 5.054 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.119 6.727 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.864 6.719 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.897 7.794 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.811 8.644 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.861 7.697 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.749 8.939 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.907 9.770 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.526 10.473 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.706 10.492 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.708 11.873 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.248 12.247 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.322 12.862 -7.380 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.429 5.874 -4.212 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.676 5.130 -4.348 1.00 0.00 C ATOM 1023 C ASN A 69 -12.754 4.006 -3.319 1.00 0.00 C ATOM 1024 O ASN A 69 -13.043 2.858 -3.658 1.00 0.00 O ATOM 1025 CB ASN A 69 -12.800 4.554 -5.760 1.00 0.00 C ATOM 1026 CG ASN A 69 -12.326 5.525 -6.824 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -11.133 5.811 -6.933 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -13.261 6.038 -7.615 1.00 0.00 N ATOM 0 H ASN A 69 -11.545 6.837 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.502 5.819 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.219 3.634 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.840 4.289 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.003 6.697 -8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.238 5.773 -7.489 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.493 4.344 -2.061 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.534 3.364 -0.981 1.00 0.00 C ATOM 1037 C LEU A 70 -13.914 2.721 -0.881 1.00 0.00 C ATOM 1038 O LEU A 70 -14.902 3.269 -1.372 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.170 4.026 0.349 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.684 4.028 0.712 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.453 4.795 2.005 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -10.163 2.604 0.834 1.00 0.00 C ATOM 0 H LEU A 70 -12.251 5.289 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.805 2.584 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.520 5.058 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.718 3.522 1.145 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.134 4.527 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.391 4.786 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.789 5.825 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.014 4.324 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.104 2.625 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.717 2.079 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.294 2.086 -0.116 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.974 1.559 -0.241 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.233 0.842 -0.075 1.00 0.00 C ATOM 1056 C ARG A 71 -15.132 -0.181 1.053 1.00 0.00 C ATOM 1057 O ARG A 71 -14.057 -0.692 1.366 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.621 0.142 -1.379 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.865 1.099 -2.535 1.00 0.00 C ATOM 1060 CD ARG A 71 -16.498 0.390 -3.721 1.00 0.00 C ATOM 1061 NE ARG A 71 -15.495 -0.185 -4.614 1.00 0.00 N ATOM 1062 CZ ARG A 71 -14.937 -1.375 -4.424 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -15.283 -2.113 -3.379 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -14.031 -1.829 -5.281 1.00 0.00 N ATOM 0 H ARG A 71 -13.166 1.093 0.171 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.004 1.568 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.830 -0.555 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.522 -0.448 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.514 1.910 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.921 1.550 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.158 -0.399 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.117 1.095 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.207 0.358 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.979 -1.767 -2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.853 -3.027 -3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.763 -1.264 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.603 -2.743 -5.134 1.00 0.00 H new ATOM 1078 N PRO A 72 -16.278 -0.486 1.679 1.00 0.00 N ATOM 1079 CA PRO A 72 -16.345 -1.450 2.782 1.00 0.00 C ATOM 1080 C PRO A 72 -16.104 -2.882 2.316 1.00 0.00 C ATOM 1081 O PRO A 72 -16.009 -3.800 3.130 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.775 -1.292 3.305 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.549 -0.777 2.141 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.597 0.085 1.358 1.00 0.00 C ATOM 0 HA PRO A 72 -15.578 -1.263 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.175 -2.243 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.815 -0.599 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.926 -1.597 1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.414 -0.202 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.804 0.043 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.665 1.132 1.655 1.00 0.00 H new ATOM 1092 N GLN A 73 -16.005 -3.063 1.003 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.774 -4.384 0.430 1.00 0.00 C ATOM 1094 C GLN A 73 -14.350 -4.506 -0.102 1.00 0.00 C ATOM 1095 O GLN A 73 -13.838 -5.610 -0.285 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.776 -4.658 -0.693 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.249 -5.602 -1.761 1.00 0.00 C ATOM 1098 CD GLN A 73 -17.357 -6.237 -2.578 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.377 -6.134 -3.805 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.288 -6.898 -1.900 1.00 0.00 N ATOM 0 H GLN A 73 -16.081 -2.312 0.317 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.912 -5.123 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -17.685 -5.080 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.053 -3.713 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.580 -5.055 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.657 -6.386 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.232 -6.958 -0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.059 -7.346 -2.396 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.716 -3.364 -0.347 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.350 -3.343 -0.858 1.00 0.00 C ATOM 1111 C ASP A 74 -11.354 -3.703 0.240 1.00 0.00 C ATOM 1112 O ASP A 74 -10.260 -4.194 -0.038 1.00 0.00 O ATOM 1113 CB ASP A 74 -12.019 -1.965 -1.432 1.00 0.00 C ATOM 1114 CG ASP A 74 -10.937 -2.023 -2.492 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -11.149 -2.699 -3.520 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.876 -1.395 -2.292 1.00 0.00 O ATOM 0 H ASP A 74 -14.126 -2.442 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.273 -4.086 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.920 -1.527 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.698 -1.306 -0.625 1.00 0.00 H new ATOM 1121 N SER A 75 -11.740 -3.455 1.487 1.00 0.00 N ATOM 1122 CA SER A 75 -10.879 -3.748 2.627 1.00 0.00 C ATOM 1123 C SER A 75 -10.334 -5.170 2.544 1.00 0.00 C ATOM 1124 O SER A 75 -11.052 -6.138 2.791 1.00 0.00 O ATOM 1125 CB SER A 75 -11.648 -3.560 3.936 1.00 0.00 C ATOM 1126 OG SER A 75 -12.082 -2.219 4.084 1.00 0.00 O ATOM 0 H SER A 75 -12.644 -3.052 1.734 1.00 0.00 H new ATOM 0 HA SER A 75 -10.039 -3.053 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.509 -4.228 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.012 -3.835 4.778 1.00 0.00 H new ATOM 0 HG SER A 75 -12.914 -2.200 4.601 1.00 0.00 H new ATOM 1132 N GLY A 76 -9.057 -5.289 2.193 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.436 -6.596 2.083 1.00 0.00 C ATOM 1134 C GLY A 76 -7.037 -6.624 2.667 1.00 0.00 C ATOM 1135 O GLY A 76 -6.740 -5.903 3.620 1.00 0.00 O ATOM 0 H GLY A 76 -8.441 -4.503 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.055 -7.333 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.394 -6.888 1.034 1.00 0.00 H new ATOM 1139 N ARG A 77 -6.175 -7.459 2.095 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.801 -7.580 2.567 1.00 0.00 C ATOM 1141 C ARG A 77 -3.817 -7.479 1.405 1.00 0.00 C ATOM 1142 O ARG A 77 -3.832 -8.305 0.492 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.607 -8.908 3.300 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.186 -9.130 3.792 1.00 0.00 C ATOM 1145 CD ARG A 77 -3.113 -10.277 4.787 1.00 0.00 C ATOM 1146 NE ARG A 77 -3.441 -9.846 6.144 1.00 0.00 N ATOM 1147 CZ ARG A 77 -3.114 -10.533 7.232 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -2.453 -11.678 7.124 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -3.448 -10.076 8.432 1.00 0.00 N ATOM 0 H ARG A 77 -6.404 -8.061 1.304 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.606 -6.760 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.287 -8.946 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.884 -9.725 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.535 -9.341 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.815 -8.218 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.800 -11.066 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.110 -10.704 4.775 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.949 -8.969 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.195 -12.033 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.203 -12.204 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.956 -9.196 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.196 -10.605 9.267 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.964 -6.461 1.446 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.975 -6.250 0.396 1.00 0.00 C ATOM 1165 C TYR A 78 -0.562 -6.239 0.972 1.00 0.00 C ATOM 1166 O TYR A 78 -0.304 -5.614 2.001 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.249 -4.935 -0.335 1.00 0.00 C ATOM 1168 CG TYR A 78 -2.790 -3.845 0.562 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.002 -4.000 1.224 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -2.090 -2.659 0.747 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.500 -3.006 2.044 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -2.579 -1.661 1.567 1.00 0.00 C ATOM 1173 CZ TYR A 78 -3.785 -1.839 2.213 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.277 -0.846 3.029 1.00 0.00 O ATOM 0 H TYR A 78 -2.938 -5.769 2.195 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.053 -7.075 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.326 -4.588 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.961 -5.118 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.564 -4.913 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.147 -2.515 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.444 -3.142 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.021 -0.746 1.702 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.253 0.010 2.553 1.00 0.00 H new ATOM 1184 N SER A 79 0.349 -6.936 0.301 1.00 0.00 N ATOM 1185 CA SER A 79 1.736 -7.010 0.746 1.00 0.00 C ATOM 1186 C SER A 79 2.691 -6.672 -0.394 1.00 0.00 C ATOM 1187 O SER A 79 2.417 -6.969 -1.557 1.00 0.00 O ATOM 1188 CB SER A 79 2.045 -8.407 1.289 1.00 0.00 C ATOM 1189 OG SER A 79 1.791 -9.401 0.312 1.00 0.00 O ATOM 0 H SER A 79 0.152 -7.458 -0.553 1.00 0.00 H new ATOM 0 HA SER A 79 1.876 -6.279 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.088 -8.457 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.438 -8.599 2.174 1.00 0.00 H new ATOM 0 HG SER A 79 1.998 -10.284 0.683 1.00 0.00 H new ATOM 1195 N CYS A 80 3.813 -6.049 -0.051 1.00 0.00 N ATOM 1196 CA CYS A 80 4.811 -5.668 -1.045 1.00 0.00 C ATOM 1197 C CYS A 80 5.960 -6.671 -1.073 1.00 0.00 C ATOM 1198 O CYS A 80 6.536 -6.999 -0.036 1.00 0.00 O ATOM 1199 CB CYS A 80 5.347 -4.267 -0.749 1.00 0.00 C ATOM 1200 SG CYS A 80 5.941 -3.381 -2.209 1.00 0.00 S ATOM 0 H CYS A 80 4.055 -5.797 0.907 1.00 0.00 H new ATOM 0 HA CYS A 80 4.331 -5.665 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.559 -3.680 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.161 -4.346 -0.029 1.00 0.00 H new ATOM 0 HG CYS A 80 6.060 -4.212 -3.202 1.00 0.00 H new ATOM 1206 N SER A 81 6.287 -7.155 -2.267 1.00 0.00 N ATOM 1207 CA SER A 81 7.364 -8.125 -2.430 1.00 0.00 C ATOM 1208 C SER A 81 8.635 -7.446 -2.933 1.00 0.00 C ATOM 1209 O SER A 81 8.661 -6.888 -4.030 1.00 0.00 O ATOM 1210 CB SER A 81 6.943 -9.228 -3.402 1.00 0.00 C ATOM 1211 OG SER A 81 6.970 -8.766 -4.741 1.00 0.00 O ATOM 0 H SER A 81 5.822 -6.891 -3.136 1.00 0.00 H new ATOM 0 HA SER A 81 7.571 -8.569 -1.456 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.609 -10.084 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.939 -9.573 -3.153 1.00 0.00 H new ATOM 0 HG SER A 81 6.698 -9.490 -5.343 1.00 0.00 H new ATOM 1217 N PHE A 82 9.686 -7.498 -2.122 1.00 0.00 N ATOM 1218 CA PHE A 82 10.961 -6.888 -2.483 1.00 0.00 C ATOM 1219 C PHE A 82 12.129 -7.730 -1.978 1.00 0.00 C ATOM 1220 O PHE A 82 12.261 -7.973 -0.779 1.00 0.00 O ATOM 1221 CB PHE A 82 11.053 -5.472 -1.910 1.00 0.00 C ATOM 1222 CG PHE A 82 11.977 -4.573 -2.681 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.796 -4.371 -4.039 1.00 0.00 C ATOM 1224 CD2 PHE A 82 13.028 -3.931 -2.046 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.644 -3.544 -4.751 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.880 -3.102 -2.752 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.688 -2.910 -4.106 1.00 0.00 C ATOM 0 H PHE A 82 9.681 -7.956 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 82 11.016 -6.837 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.057 -5.029 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.393 -5.528 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.982 -4.866 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.183 -4.080 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.491 -3.394 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.694 -2.605 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.354 -2.265 -4.660 1.00 0.00 H new ATOM 1237 N GLY A 83 12.975 -8.173 -2.903 1.00 0.00 N ATOM 1238 CA GLY A 83 14.121 -8.984 -2.534 1.00 0.00 C ATOM 1239 C GLY A 83 13.720 -10.346 -2.003 1.00 0.00 C ATOM 1240 O GLY A 83 13.261 -11.204 -2.758 1.00 0.00 O ATOM 0 H GLY A 83 12.887 -7.985 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.767 -9.112 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.705 -8.460 -1.777 1.00 0.00 H new ATOM 1244 N ASP A 84 13.895 -10.547 -0.702 1.00 0.00 N ATOM 1245 CA ASP A 84 13.549 -11.815 -0.070 1.00 0.00 C ATOM 1246 C ASP A 84 12.456 -11.621 0.976 1.00 0.00 C ATOM 1247 O ASP A 84 11.616 -12.497 1.178 1.00 0.00 O ATOM 1248 CB ASP A 84 14.786 -12.441 0.576 1.00 0.00 C ATOM 1249 CG ASP A 84 14.431 -13.523 1.577 1.00 0.00 C ATOM 1250 OD1 ASP A 84 13.895 -13.183 2.653 1.00 0.00 O ATOM 1251 OD2 ASP A 84 14.688 -14.710 1.286 1.00 0.00 O ATOM 0 H ASP A 84 14.275 -9.848 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 84 13.172 -12.487 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.424 -12.864 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.364 -11.664 1.075 1.00 0.00 H new ATOM 1256 N GLN A 85 12.475 -10.468 1.637 1.00 0.00 N ATOM 1257 CA GLN A 85 11.486 -10.161 2.664 1.00 0.00 C ATOM 1258 C GLN A 85 10.227 -9.561 2.045 1.00 0.00 C ATOM 1259 O GLN A 85 10.274 -8.967 0.968 1.00 0.00 O ATOM 1260 CB GLN A 85 12.073 -9.194 3.694 1.00 0.00 C ATOM 1261 CG GLN A 85 12.566 -7.889 3.091 1.00 0.00 C ATOM 1262 CD GLN A 85 13.980 -7.992 2.553 1.00 0.00 C ATOM 1263 OE1 GLN A 85 14.200 -7.955 1.342 1.00 0.00 O ATOM 1264 NE2 GLN A 85 14.948 -8.122 3.453 1.00 0.00 N ATOM 0 H GLN A 85 13.163 -9.732 1.480 1.00 0.00 H new ATOM 0 HA GLN A 85 11.216 -11.092 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.316 -8.974 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.901 -9.682 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.896 -7.589 2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.525 -7.105 3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.720 -8.148 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.919 -8.196 3.150 1.00 0.00 H new ATOM 1273 N THR A 86 9.102 -9.721 2.734 1.00 0.00 N ATOM 1274 CA THR A 86 7.830 -9.198 2.252 1.00 0.00 C ATOM 1275 C THR A 86 6.958 -8.719 3.408 1.00 0.00 C ATOM 1276 O THR A 86 6.821 -9.405 4.421 1.00 0.00 O ATOM 1277 CB THR A 86 7.056 -10.257 1.444 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.826 -10.666 0.309 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.713 -9.710 0.983 1.00 0.00 C ATOM 0 H THR A 86 9.046 -10.209 3.628 1.00 0.00 H new ATOM 0 HA THR A 86 8.062 -8.354 1.602 1.00 0.00 H new ATOM 0 HB THR A 86 6.878 -11.117 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.328 -11.340 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.184 -10.475 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.118 -9.427 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.873 -8.836 0.352 1.00 0.00 H new ATOM 1287 N THR A 87 6.370 -7.538 3.250 1.00 0.00 N ATOM 1288 CA THR A 87 5.511 -6.968 4.280 1.00 0.00 C ATOM 1289 C THR A 87 4.049 -6.989 3.852 1.00 0.00 C ATOM 1290 O THR A 87 3.722 -6.673 2.708 1.00 0.00 O ATOM 1291 CB THR A 87 5.916 -5.519 4.610 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.123 -5.023 5.694 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.743 -4.619 3.396 1.00 0.00 C ATOM 0 H THR A 87 6.473 -6.957 2.418 1.00 0.00 H new ATOM 0 HA THR A 87 5.634 -7.585 5.170 1.00 0.00 H new ATOM 0 HB THR A 87 6.967 -5.516 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.921 -4.076 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.035 -3.601 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.370 -4.982 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.699 -4.629 3.082 1.00 0.00 H new ATOM 1301 N SER A 88 3.171 -7.364 4.777 1.00 0.00 N ATOM 1302 CA SER A 88 1.742 -7.430 4.494 1.00 0.00 C ATOM 1303 C SER A 88 0.960 -6.511 5.428 1.00 0.00 C ATOM 1304 O SER A 88 1.242 -6.438 6.624 1.00 0.00 O ATOM 1305 CB SER A 88 1.239 -8.867 4.635 1.00 0.00 C ATOM 1306 OG SER A 88 -0.110 -8.979 4.213 1.00 0.00 O ATOM 0 H SER A 88 3.424 -7.627 5.729 1.00 0.00 H new ATOM 0 HA SER A 88 1.584 -7.096 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.865 -9.535 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.326 -9.186 5.674 1.00 0.00 H new ATOM 0 HG SER A 88 -0.267 -9.878 3.855 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.023 -5.811 4.872 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.848 -4.898 5.654 1.00 0.00 C ATOM 1314 C ALA A 89 -2.330 -5.116 5.368 1.00 0.00 C ATOM 1315 O ALA A 89 -2.695 -5.852 4.451 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.459 -3.456 5.364 1.00 0.00 C ATOM 0 H ALA A 89 -0.268 -5.859 3.883 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.674 -5.104 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.083 -2.785 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.588 -3.302 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.603 -3.246 4.304 1.00 0.00 H new ATOM 1322 N THR A 90 -3.181 -4.471 6.160 1.00 0.00 N ATOM 1323 CA THR A 90 -4.624 -4.596 5.994 1.00 0.00 C ATOM 1324 C THR A 90 -5.296 -3.228 5.982 1.00 0.00 C ATOM 1325 O THR A 90 -4.839 -2.294 6.643 1.00 0.00 O ATOM 1326 CB THR A 90 -5.246 -5.452 7.113 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.628 -6.743 7.144 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.745 -5.606 6.906 1.00 0.00 C ATOM 0 H THR A 90 -2.896 -3.857 6.923 1.00 0.00 H new ATOM 0 HA THR A 90 -4.791 -5.088 5.036 1.00 0.00 H new ATOM 0 HB THR A 90 -5.076 -4.946 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.028 -7.280 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.162 -6.214 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.216 -4.623 6.913 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.932 -6.091 5.948 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.384 -3.115 5.228 1.00 0.00 N ATOM 1337 CA LEU A 91 -7.121 -1.860 5.131 1.00 0.00 C ATOM 1338 C LEU A 91 -8.436 -1.940 5.900 1.00 0.00 C ATOM 1339 O LEU A 91 -9.141 -2.948 5.844 1.00 0.00 O ATOM 1340 CB LEU A 91 -7.394 -1.519 3.665 1.00 0.00 C ATOM 1341 CG LEU A 91 -8.174 -0.228 3.410 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.510 0.945 4.116 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -8.288 0.040 1.917 1.00 0.00 C ATOM 0 H LEU A 91 -6.775 -3.877 4.675 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.510 -1.073 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.439 -1.452 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.944 -2.347 3.217 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.179 -0.347 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.079 1.855 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.482 0.755 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.493 1.067 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.846 0.962 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.291 0.139 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.809 -0.789 1.437 1.00 0.00 H new ATOM 1355 N THR A 92 -8.762 -0.868 6.617 1.00 0.00 N ATOM 1356 CA THR A 92 -9.992 -0.816 7.396 1.00 0.00 C ATOM 1357 C THR A 92 -10.878 0.340 6.948 1.00 0.00 C ATOM 1358 O THR A 92 -10.541 1.507 7.145 1.00 0.00 O ATOM 1359 CB THR A 92 -9.698 -0.668 8.901 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.913 -1.775 9.358 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.990 -0.592 9.700 1.00 0.00 C ATOM 0 H THR A 92 -8.191 -0.025 6.674 1.00 0.00 H new ATOM 0 HA THR A 92 -10.514 -1.758 7.226 1.00 0.00 H new ATOM 0 HB THR A 92 -9.142 0.258 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.729 -1.673 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.757 -0.488 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.572 0.269 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.569 -1.502 9.544 1.00 0.00 H new ATOM 1369 N VAL A 93 -12.015 0.008 6.343 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.951 1.020 5.867 1.00 0.00 C ATOM 1371 C VAL A 93 -14.308 0.875 6.547 1.00 0.00 C ATOM 1372 O VAL A 93 -14.922 -0.191 6.513 1.00 0.00 O ATOM 1373 CB VAL A 93 -13.142 0.934 4.341 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -14.072 2.037 3.857 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.799 1.008 3.631 1.00 0.00 C ATOM 0 H VAL A 93 -12.310 -0.953 6.171 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.523 1.991 6.118 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.600 -0.026 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.195 1.961 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.043 1.933 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.645 3.008 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.953 0.946 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.311 1.952 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.170 0.180 3.956 1.00 0.00 H new ATOM 1385 N THR A 94 -14.772 1.957 7.166 1.00 0.00 N ATOM 1386 CA THR A 94 -16.056 1.951 7.856 1.00 0.00 C ATOM 1387 C THR A 94 -17.156 2.528 6.973 1.00 0.00 C ATOM 1388 O THR A 94 -17.000 3.602 6.392 1.00 0.00 O ATOM 1389 CB THR A 94 -15.992 2.755 9.168 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.891 2.305 9.965 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.286 2.610 9.954 1.00 0.00 C ATOM 0 H THR A 94 -14.277 2.848 7.203 1.00 0.00 H new ATOM 0 HA THR A 94 -16.287 0.911 8.087 1.00 0.00 H new ATOM 0 HB THR A 94 -15.853 3.807 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.856 2.822 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.218 3.186 10.877 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.119 2.980 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.450 1.559 10.194 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.269 1.809 6.877 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.397 2.251 6.067 1.00 0.00 C ATOM 1401 C ALA A 95 -20.026 3.515 6.644 1.00 0.00 C ATOM 1402 O ALA A 95 -20.758 3.461 7.633 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.436 1.145 5.959 1.00 0.00 C ATOM 0 H ALA A 95 -18.414 0.917 7.350 1.00 0.00 H new ATOM 0 HA ALA A 95 -19.025 2.484 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.273 1.490 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.987 0.268 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.794 0.884 6.955 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.736 4.652 6.021 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.272 5.931 6.474 1.00 0.00 C ATOM 1411 C LEU A 96 -21.797 5.901 6.507 1.00 0.00 C ATOM 1412 O LEU A 96 -22.447 5.239 5.697 1.00 0.00 O ATOM 1413 CB LEU A 96 -19.793 7.060 5.560 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.700 7.395 4.375 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -21.971 8.079 4.852 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.964 8.272 3.372 1.00 0.00 C ATOM 0 H LEU A 96 -19.133 4.714 5.201 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.908 6.112 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -19.668 7.960 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.808 6.796 5.175 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.977 6.464 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -22.604 8.310 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.508 7.417 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.714 9.002 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.624 8.501 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.657 9.199 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.083 7.745 3.005 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.383 6.636 7.464 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.838 6.712 7.623 1.00 0.00 C ATOM 1430 C PRO A 97 -24.507 7.479 6.488 1.00 0.00 C ATOM 1431 O PRO A 97 -24.329 8.690 6.354 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.011 7.460 8.948 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.766 8.264 9.094 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.670 7.450 8.463 1.00 0.00 C ATOM 0 HA PRO A 97 -24.301 5.725 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.895 8.098 8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -24.135 6.767 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.866 9.231 8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.550 8.462 10.144 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.914 8.084 8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.158 6.828 9.197 1.00 0.00 H new ATOM 1442 N SER A 98 -25.277 6.766 5.671 1.00 0.00 N ATOM 1443 CA SER A 98 -25.969 7.380 4.544 1.00 0.00 C ATOM 1444 C SER A 98 -27.330 6.727 4.322 1.00 0.00 C ATOM 1445 O SER A 98 -27.456 5.504 4.347 1.00 0.00 O ATOM 1446 CB SER A 98 -25.123 7.266 3.275 1.00 0.00 C ATOM 1447 OG SER A 98 -25.935 7.321 2.114 1.00 0.00 O ATOM 0 H SER A 98 -25.437 5.763 5.769 1.00 0.00 H new ATOM 0 HA SER A 98 -26.124 8.434 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 98 -24.390 8.073 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 98 -24.565 6.329 3.289 1.00 0.00 H new ATOM 0 HG SER A 98 -25.371 7.248 1.316 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.349 7.555 4.106 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.688 7.041 3.884 1.00 0.00 C ATOM 1455 C GLY A 99 -30.752 8.109 4.044 1.00 0.00 C ATOM 1456 O GLY A 99 -30.486 9.304 3.919 1.00 0.00 O ATOM 0 H GLY A 99 -28.271 8.572 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -29.750 6.618 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -29.883 6.230 4.585 1.00 0.00 H new ATOM 1460 N PRO A 100 -31.990 7.677 4.326 1.00 0.00 N ATOM 1461 CA PRO A 100 -33.124 8.589 4.508 1.00 0.00 C ATOM 1462 C PRO A 100 -33.011 9.405 5.791 1.00 0.00 C ATOM 1463 O PRO A 100 -32.645 8.880 6.842 1.00 0.00 O ATOM 1464 CB PRO A 100 -34.329 7.647 4.578 1.00 0.00 C ATOM 1465 CG PRO A 100 -33.769 6.352 5.056 1.00 0.00 C ATOM 1466 CD PRO A 100 -32.379 6.266 4.489 1.00 0.00 C ATOM 0 HA PRO A 100 -33.187 9.326 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -35.089 8.026 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -34.803 7.538 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -33.749 6.314 6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -34.380 5.515 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -31.703 5.738 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -32.365 5.733 3.538 1.00 0.00 H new ATOM 1474 N SER A 101 -33.327 10.693 5.697 1.00 0.00 N ATOM 1475 CA SER A 101 -33.257 11.583 6.850 1.00 0.00 C ATOM 1476 C SER A 101 -34.473 11.398 7.754 1.00 0.00 C ATOM 1477 O SER A 101 -34.337 11.185 8.959 1.00 0.00 O ATOM 1478 CB SER A 101 -33.166 13.040 6.392 1.00 0.00 C ATOM 1479 OG SER A 101 -33.246 13.927 7.494 1.00 0.00 O ATOM 0 H SER A 101 -33.634 11.143 4.835 1.00 0.00 H new ATOM 0 HA SER A 101 -32.361 11.331 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 101 -32.228 13.199 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 101 -33.971 13.255 5.689 1.00 0.00 H new ATOM 0 HG SER A 101 -33.184 14.852 7.175 1.00 0.00 H new ATOM 1485 N SER A 102 -35.660 11.480 7.162 1.00 0.00 N ATOM 1486 CA SER A 102 -36.900 11.325 7.913 1.00 0.00 C ATOM 1487 C SER A 102 -37.823 10.316 7.236 1.00 0.00 C ATOM 1488 O SER A 102 -38.721 10.687 6.481 1.00 0.00 O ATOM 1489 CB SER A 102 -37.612 12.673 8.047 1.00 0.00 C ATOM 1490 OG SER A 102 -38.761 12.563 8.868 1.00 0.00 O ATOM 0 H SER A 102 -35.789 11.653 6.165 1.00 0.00 H new ATOM 0 HA SER A 102 -36.650 10.953 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 102 -36.928 13.409 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 102 -37.900 13.036 7.060 1.00 0.00 H new ATOM 0 HG SER A 102 -39.197 13.438 8.939 1.00 0.00 H new ATOM 1496 N GLY A 103 -37.594 9.036 7.513 1.00 0.00 N ATOM 1497 CA GLY A 103 -38.411 7.992 6.923 1.00 0.00 C ATOM 1498 C GLY A 103 -37.648 6.696 6.731 1.00 0.00 C ATOM 1499 O GLY A 103 -38.071 5.826 5.970 1.00 0.00 O ATOM 0 H GLY A 103 -36.857 8.704 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -39.277 7.809 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -38.790 8.333 5.960 1.00 0.00 H new TER 1503 GLY A 103