USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 45 MET CE :methyl -167:sc= -2.69! (180deg=-3.19) USER MOD Set 1.2: A 60 MET CE :methyl -176:sc= -0.132 (180deg=-0.0866) USER MOD Set 1.3: B 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -159:sc= 0.309 USER MOD Set 2.2: A 16 GLN : amide:sc= -1.45 K(o=-1.1,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.0826 (180deg=-0.754) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0.84 (180deg=0.563) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.348) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= -0.0738 (180deg=-0.0798) USER MOD Single : A 35 CYS SG : rot 11:sc=-0.000674 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00289 USER MOD Single : A 38 THR OG1 : rot -101:sc= 0.0811 USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 1.96 (180deg=0.116) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.594 (180deg=0.425) USER MOD Single : A 47 MET CE :methyl -170:sc= -1.83! (180deg=-2.16!) USER MOD Single : A 50 GLN : amide:sc= -0.546 K(o=-0.55,f=-1.2) USER MOD Single : A 51 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -122:sc= -1.36 (180deg=-5.31!) USER MOD Single : A 81 MET CE :methyl -138:sc= -0.145 (180deg=-0.726) USER MOD Single : A 84 CYS SG : rot -48:sc= -0.58 USER MOD Single : A 85 MET CE :methyl 157:sc= -0.755 (180deg=-1.26) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= -0.891 (180deg=-1.01) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SXK OAB : rot -160:sc= -0.0454 USER MOD Single : B 149 SER OG : rot 180:sc= 0 USER MOD Single : B 154 MET CE :methyl -150:sc= -0.837 (180deg=-1.78) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 163 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.466) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.169 14.068 11.147 1.00 0.00 N ATOM 2 CA MET A 1 75.020 13.304 10.561 1.00 0.00 C ATOM 3 C MET A 1 75.309 11.799 10.638 1.00 0.00 C ATOM 4 O MET A 1 75.774 11.199 9.687 1.00 0.00 O ATOM 5 CB MET A 1 74.917 13.755 9.094 1.00 0.00 C ATOM 6 CG MET A 1 74.786 15.280 9.011 1.00 0.00 C ATOM 7 SD MET A 1 73.401 15.829 10.039 1.00 0.00 S ATOM 8 CE MET A 1 74.091 17.433 10.517 1.00 0.00 C ATOM 0 H1 MET A 1 75.818 14.948 11.575 1.00 0.00 H new ATOM 0 H2 MET A 1 76.635 13.490 11.876 1.00 0.00 H new ATOM 0 H3 MET A 1 76.853 14.296 10.397 1.00 0.00 H new ATOM 0 HA MET A 1 74.090 13.490 11.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.800 13.429 8.544 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.055 13.283 8.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.709 15.753 9.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 74.628 15.585 7.977 1.00 0.00 H new ATOM 0 HE1 MET A 1 73.387 17.953 11.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 75.031 17.281 11.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.271 18.032 9.624 1.00 0.00 H new ATOM 20 N ASP A 2 75.055 11.191 11.769 1.00 0.00 N ATOM 21 CA ASP A 2 75.335 9.730 11.915 1.00 0.00 C ATOM 22 C ASP A 2 74.100 8.991 12.448 1.00 0.00 C ATOM 23 O ASP A 2 73.699 9.175 13.582 1.00 0.00 O ATOM 24 CB ASP A 2 76.494 9.654 12.917 1.00 0.00 C ATOM 25 CG ASP A 2 77.726 10.362 12.345 1.00 0.00 C ATOM 26 OD1 ASP A 2 77.820 11.570 12.503 1.00 0.00 O ATOM 27 OD2 ASP A 2 78.553 9.684 11.758 1.00 0.00 O ATOM 0 H ASP A 2 74.666 11.642 12.597 1.00 0.00 H new ATOM 0 HA ASP A 2 75.584 9.260 10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 2 76.202 10.118 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 2 76.731 8.612 13.134 1.00 0.00 H new ATOM 32 N ASP A 3 73.506 8.151 11.631 1.00 0.00 N ATOM 33 CA ASP A 3 72.296 7.370 12.057 1.00 0.00 C ATOM 34 C ASP A 3 71.200 8.287 12.626 1.00 0.00 C ATOM 35 O ASP A 3 70.789 8.154 13.764 1.00 0.00 O ATOM 36 CB ASP A 3 72.808 6.400 13.126 1.00 0.00 C ATOM 37 CG ASP A 3 72.739 4.970 12.591 1.00 0.00 C ATOM 38 OD1 ASP A 3 71.646 4.429 12.536 1.00 0.00 O ATOM 39 OD2 ASP A 3 73.780 4.441 12.238 1.00 0.00 O ATOM 0 H ASP A 3 73.812 7.971 10.675 1.00 0.00 H new ATOM 0 HA ASP A 3 71.837 6.852 11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 3 73.834 6.649 13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 3 72.208 6.490 14.032 1.00 0.00 H new ATOM 44 N ILE A 4 70.715 9.207 11.834 1.00 0.00 N ATOM 45 CA ILE A 4 69.637 10.126 12.317 1.00 0.00 C ATOM 46 C ILE A 4 68.264 9.551 11.946 1.00 0.00 C ATOM 47 O ILE A 4 67.403 9.392 12.788 1.00 0.00 O ATOM 48 CB ILE A 4 69.898 11.453 11.595 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.204 12.065 12.125 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.727 12.419 11.824 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.011 12.537 13.571 1.00 0.00 C ATOM 0 H ILE A 4 71.018 9.363 10.873 1.00 0.00 H new ATOM 0 HA ILE A 4 69.642 10.255 13.399 1.00 0.00 H new ATOM 0 HB ILE A 4 69.990 11.273 10.524 1.00 0.00 H new ATOM 0 HG12 ILE A 4 72.006 11.328 12.078 1.00 0.00 H new ATOM 0 HG13 ILE A 4 71.504 12.904 11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.923 13.358 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.809 11.976 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.616 12.609 12.891 1.00 0.00 H new ATOM 0 HD11 ILE A 4 71.941 12.970 13.940 1.00 0.00 H new ATOM 0 HD12 ILE A 4 70.222 13.288 13.606 1.00 0.00 H new ATOM 0 HD13 ILE A 4 70.732 11.689 14.196 1.00 0.00 H new ATOM 63 N TYR A 5 68.065 9.223 10.695 1.00 0.00 N ATOM 64 CA TYR A 5 66.757 8.639 10.269 1.00 0.00 C ATOM 65 C TYR A 5 66.864 7.110 10.244 1.00 0.00 C ATOM 66 O TYR A 5 65.935 6.411 10.607 1.00 0.00 O ATOM 67 CB TYR A 5 66.496 9.206 8.869 1.00 0.00 C ATOM 68 CG TYR A 5 65.453 10.299 8.954 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.588 11.331 9.893 1.00 0.00 C ATOM 70 CD2 TYR A 5 64.349 10.277 8.095 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.619 12.338 9.971 1.00 0.00 C ATOM 72 CE2 TYR A 5 63.381 11.284 8.174 1.00 0.00 C ATOM 73 CZ TYR A 5 63.515 12.314 9.111 1.00 0.00 C ATOM 74 OH TYR A 5 62.559 13.305 9.186 1.00 0.00 O ATOM 0 H TYR A 5 68.752 9.334 9.949 1.00 0.00 H new ATOM 0 HA TYR A 5 65.941 8.888 10.948 1.00 0.00 H new ATOM 0 HB2 TYR A 5 67.420 9.602 8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 5 66.155 8.414 8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 5 66.440 11.349 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 5 64.244 9.483 7.371 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.723 13.133 10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 5 62.529 11.266 7.511 1.00 0.00 H new ATOM 0 HH TYR A 5 61.862 13.138 8.518 1.00 0.00 H new ATOM 84 N LYS A 6 68.002 6.585 9.843 1.00 0.00 N ATOM 85 CA LYS A 6 68.181 5.099 9.824 1.00 0.00 C ATOM 86 C LYS A 6 68.081 4.544 11.253 1.00 0.00 C ATOM 87 O LYS A 6 67.675 3.416 11.456 1.00 0.00 O ATOM 88 CB LYS A 6 69.580 4.860 9.248 1.00 0.00 C ATOM 89 CG LYS A 6 69.690 3.409 8.766 1.00 0.00 C ATOM 90 CD LYS A 6 70.509 2.590 9.771 1.00 0.00 C ATOM 91 CE LYS A 6 71.989 2.976 9.683 1.00 0.00 C ATOM 92 NZ LYS A 6 72.640 2.239 10.804 1.00 0.00 N ATOM 0 H LYS A 6 68.810 7.122 9.530 1.00 0.00 H new ATOM 0 HA LYS A 6 67.416 4.600 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.767 5.545 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.337 5.062 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.696 2.977 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.163 3.377 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.139 2.765 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 6 70.390 1.526 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.416 2.691 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.124 4.053 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.674 2.298 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.355 2.663 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.346 1.242 10.781 1.00 0.00 H new ATOM 106 N ALA A 7 68.434 5.340 12.243 1.00 0.00 N ATOM 107 CA ALA A 7 68.340 4.874 13.663 1.00 0.00 C ATOM 108 C ALA A 7 66.918 4.363 13.936 1.00 0.00 C ATOM 109 O ALA A 7 66.728 3.306 14.509 1.00 0.00 O ATOM 110 CB ALA A 7 68.652 6.112 14.515 1.00 0.00 C ATOM 0 H ALA A 7 68.782 6.291 12.124 1.00 0.00 H new ATOM 0 HA ALA A 7 69.027 4.058 13.887 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.602 5.849 15.572 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.652 6.474 14.278 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.923 6.894 14.301 1.00 0.00 H new ATOM 116 N ALA A 8 65.920 5.095 13.496 1.00 0.00 N ATOM 117 CA ALA A 8 64.508 4.644 13.691 1.00 0.00 C ATOM 118 C ALA A 8 64.257 3.388 12.847 1.00 0.00 C ATOM 119 O ALA A 8 63.662 2.432 13.303 1.00 0.00 O ATOM 120 CB ALA A 8 63.635 5.805 13.197 1.00 0.00 C ATOM 0 H ALA A 8 66.025 5.986 13.010 1.00 0.00 H new ATOM 0 HA ALA A 8 64.289 4.396 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.583 5.543 13.311 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.852 6.698 13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.849 6.000 12.146 1.00 0.00 H new ATOM 126 N VAL A 9 64.725 3.391 11.619 1.00 0.00 N ATOM 127 CA VAL A 9 64.540 2.207 10.716 1.00 0.00 C ATOM 128 C VAL A 9 65.124 0.940 11.366 1.00 0.00 C ATOM 129 O VAL A 9 64.550 -0.132 11.280 1.00 0.00 O ATOM 130 CB VAL A 9 65.314 2.569 9.435 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.413 1.353 8.506 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.590 3.700 8.700 1.00 0.00 C ATOM 0 H VAL A 9 65.232 4.171 11.200 1.00 0.00 H new ATOM 0 HA VAL A 9 63.489 1.997 10.515 1.00 0.00 H new ATOM 0 HB VAL A 9 66.318 2.888 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.963 1.627 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.935 0.545 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.411 1.022 8.232 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.139 3.955 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.583 3.376 8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.531 4.575 9.347 1.00 0.00 H new ATOM 142 N GLU A 10 66.262 1.057 12.007 1.00 0.00 N ATOM 143 CA GLU A 10 66.896 -0.132 12.657 1.00 0.00 C ATOM 144 C GLU A 10 66.016 -0.686 13.789 1.00 0.00 C ATOM 145 O GLU A 10 65.834 -1.884 13.901 1.00 0.00 O ATOM 146 CB GLU A 10 68.229 0.380 13.214 1.00 0.00 C ATOM 147 CG GLU A 10 69.346 -0.593 12.824 1.00 0.00 C ATOM 148 CD GLU A 10 70.584 0.184 12.367 1.00 0.00 C ATOM 149 OE1 GLU A 10 71.045 1.031 13.116 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.055 -0.084 11.274 1.00 0.00 O ATOM 0 H GLU A 10 66.781 1.929 12.108 1.00 0.00 H new ATOM 0 HA GLU A 10 67.031 -0.950 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.443 1.374 12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.172 0.471 14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.599 -1.228 13.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.004 -1.250 12.025 1.00 0.00 H new ATOM 157 N GLN A 11 65.472 0.164 14.627 1.00 0.00 N ATOM 158 CA GLN A 11 64.615 -0.339 15.745 1.00 0.00 C ATOM 159 C GLN A 11 63.386 0.561 15.951 1.00 0.00 C ATOM 160 O GLN A 11 63.371 1.417 16.817 1.00 0.00 O ATOM 161 CB GLN A 11 65.520 -0.306 16.983 1.00 0.00 C ATOM 162 CG GLN A 11 66.222 -1.657 17.152 1.00 0.00 C ATOM 163 CD GLN A 11 66.532 -1.885 18.632 1.00 0.00 C ATOM 164 OE1 GLN A 11 65.948 -2.742 19.263 1.00 0.00 O ATOM 165 NE2 GLN A 11 67.432 -1.147 19.217 1.00 0.00 N ATOM 0 H GLN A 11 65.584 1.177 14.585 1.00 0.00 H new ATOM 0 HA GLN A 11 64.230 -1.338 15.540 1.00 0.00 H new ATOM 0 HB2 GLN A 11 66.260 0.488 16.882 1.00 0.00 H new ATOM 0 HB3 GLN A 11 64.929 -0.080 17.870 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.588 -2.459 16.774 1.00 0.00 H new ATOM 0 HG3 GLN A 11 67.143 -1.677 16.569 1.00 0.00 H new ATOM 0 HE21 GLN A 11 67.923 -0.427 18.688 1.00 0.00 H new ATOM 0 HE22 GLN A 11 67.645 -1.290 20.204 1.00 0.00 H new ATOM 174 N LEU A 12 62.346 0.359 15.177 1.00 0.00 N ATOM 175 CA LEU A 12 61.109 1.186 15.351 1.00 0.00 C ATOM 176 C LEU A 12 60.423 0.779 16.660 1.00 0.00 C ATOM 177 O LEU A 12 60.486 1.477 17.654 1.00 0.00 O ATOM 178 CB LEU A 12 60.216 0.844 14.149 1.00 0.00 C ATOM 179 CG LEU A 12 60.694 1.594 12.904 1.00 0.00 C ATOM 180 CD1 LEU A 12 59.932 1.085 11.678 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.431 3.091 13.078 1.00 0.00 C ATOM 0 H LEU A 12 62.300 -0.340 14.435 1.00 0.00 H new ATOM 0 HA LEU A 12 61.318 2.255 15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.237 -0.230 13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.182 1.110 14.368 1.00 0.00 H new ATOM 0 HG LEU A 12 61.762 1.425 12.766 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.272 1.619 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.116 0.018 11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 12 58.864 1.255 11.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 60.771 3.626 12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.363 3.259 13.215 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.971 3.456 13.952 1.00 0.00 H new ATOM 193 N THR A 13 59.791 -0.368 16.662 1.00 0.00 N ATOM 194 CA THR A 13 59.114 -0.880 17.891 1.00 0.00 C ATOM 195 C THR A 13 58.980 -2.393 17.779 1.00 0.00 C ATOM 196 O THR A 13 58.995 -2.941 16.691 1.00 0.00 O ATOM 197 CB THR A 13 57.729 -0.225 17.948 1.00 0.00 C ATOM 198 OG1 THR A 13 57.795 1.125 17.502 1.00 0.00 O ATOM 199 CG2 THR A 13 57.213 -0.258 19.387 1.00 0.00 C ATOM 0 H THR A 13 59.715 -0.980 15.850 1.00 0.00 H new ATOM 0 HA THR A 13 59.679 -0.645 18.793 1.00 0.00 H new ATOM 0 HB THR A 13 57.053 -0.777 17.296 1.00 0.00 H new ATOM 0 HG1 THR A 13 57.022 1.621 17.844 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.228 0.207 19.431 1.00 0.00 H new ATOM 0 HG22 THR A 13 57.141 -1.292 19.724 1.00 0.00 H new ATOM 0 HG23 THR A 13 57.901 0.287 20.033 1.00 0.00 H new ATOM 207 N GLU A 14 58.860 -3.075 18.885 1.00 0.00 N ATOM 208 CA GLU A 14 58.739 -4.563 18.833 1.00 0.00 C ATOM 209 C GLU A 14 57.588 -4.986 17.904 1.00 0.00 C ATOM 210 O GLU A 14 57.652 -6.012 17.251 1.00 0.00 O ATOM 211 CB GLU A 14 58.460 -4.994 20.275 1.00 0.00 C ATOM 212 CG GLU A 14 59.049 -6.387 20.513 1.00 0.00 C ATOM 213 CD GLU A 14 60.541 -6.265 20.836 1.00 0.00 C ATOM 214 OE1 GLU A 14 60.857 -5.905 21.958 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.340 -6.533 19.955 1.00 0.00 O ATOM 0 H GLU A 14 58.840 -2.669 19.821 1.00 0.00 H new ATOM 0 HA GLU A 14 59.641 -5.030 18.437 1.00 0.00 H new ATOM 0 HB2 GLU A 14 58.898 -4.278 20.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.386 -5.004 20.462 1.00 0.00 H new ATOM 0 HG2 GLU A 14 58.528 -6.878 21.335 1.00 0.00 H new ATOM 0 HG3 GLU A 14 58.908 -7.009 19.629 1.00 0.00 H new ATOM 222 N GLU A 15 56.541 -4.203 17.840 1.00 0.00 N ATOM 223 CA GLU A 15 55.384 -4.548 16.959 1.00 0.00 C ATOM 224 C GLU A 15 55.564 -3.934 15.564 1.00 0.00 C ATOM 225 O GLU A 15 55.326 -4.584 14.566 1.00 0.00 O ATOM 226 CB GLU A 15 54.160 -3.943 17.653 1.00 0.00 C ATOM 227 CG GLU A 15 54.034 -4.508 19.073 1.00 0.00 C ATOM 228 CD GLU A 15 54.401 -3.427 20.093 1.00 0.00 C ATOM 229 OE1 GLU A 15 55.584 -3.234 20.325 1.00 0.00 O ATOM 230 OE2 GLU A 15 53.494 -2.808 20.624 1.00 0.00 O ATOM 0 H GLU A 15 56.437 -3.334 18.364 1.00 0.00 H new ATOM 0 HA GLU A 15 55.287 -5.625 16.819 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.252 -2.858 17.691 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.259 -4.167 17.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 53.016 -4.855 19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.690 -5.371 19.191 1.00 0.00 H new ATOM 237 N GLN A 16 55.974 -2.684 15.490 1.00 0.00 N ATOM 238 CA GLN A 16 56.159 -2.015 14.157 1.00 0.00 C ATOM 239 C GLN A 16 56.962 -2.899 13.204 1.00 0.00 C ATOM 240 O GLN A 16 56.493 -3.276 12.147 1.00 0.00 O ATOM 241 CB GLN A 16 56.914 -0.710 14.448 1.00 0.00 C ATOM 242 CG GLN A 16 56.000 0.485 14.151 1.00 0.00 C ATOM 243 CD GLN A 16 56.834 1.763 14.032 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.026 2.275 12.949 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.338 2.305 15.104 1.00 0.00 N ATOM 0 H GLN A 16 56.188 -2.098 16.297 1.00 0.00 H new ATOM 0 HA GLN A 16 55.201 -1.829 13.672 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.234 -0.687 15.490 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.815 -0.654 13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 16 55.450 0.312 13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.261 0.595 14.945 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.178 1.876 16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 16 57.893 3.158 15.032 1.00 0.00 H new ATOM 254 N LYS A 17 58.160 -3.227 13.578 1.00 0.00 N ATOM 255 CA LYS A 17 59.019 -4.093 12.708 1.00 0.00 C ATOM 256 C LYS A 17 58.308 -5.425 12.409 1.00 0.00 C ATOM 257 O LYS A 17 58.359 -5.924 11.300 1.00 0.00 O ATOM 258 CB LYS A 17 60.310 -4.322 13.505 1.00 0.00 C ATOM 259 CG LYS A 17 61.469 -3.606 12.805 1.00 0.00 C ATOM 260 CD LYS A 17 62.788 -3.923 13.519 1.00 0.00 C ATOM 261 CE LYS A 17 63.823 -4.409 12.497 1.00 0.00 C ATOM 262 NZ LYS A 17 64.437 -3.169 11.936 1.00 0.00 N ATOM 0 H LYS A 17 58.592 -2.935 14.454 1.00 0.00 H new ATOM 0 HA LYS A 17 59.225 -3.628 11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 17 60.195 -3.946 14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.519 -5.389 13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.525 -3.920 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.296 -2.530 12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.158 -3.035 14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.627 -4.687 14.280 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.575 -5.041 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.353 -5.004 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.827 -3.371 10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.712 -2.427 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 65.200 -2.844 12.564 1.00 0.00 H new ATOM 276 N ASN A 18 57.633 -5.994 13.384 1.00 0.00 N ATOM 277 CA ASN A 18 56.906 -7.284 13.148 1.00 0.00 C ATOM 278 C ASN A 18 55.746 -7.065 12.164 1.00 0.00 C ATOM 279 O ASN A 18 55.496 -7.881 11.297 1.00 0.00 O ATOM 280 CB ASN A 18 56.377 -7.711 14.522 1.00 0.00 C ATOM 281 CG ASN A 18 56.342 -9.238 14.602 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.359 -9.854 14.246 1.00 0.00 O ATOM 283 ND2 ASN A 18 57.381 -9.881 15.056 1.00 0.00 N ATOM 0 H ASN A 18 57.555 -5.621 14.330 1.00 0.00 H new ATOM 0 HA ASN A 18 57.553 -8.046 12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 18 57.014 -7.309 15.310 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.378 -7.305 14.682 1.00 0.00 H new ATOM 0 HD21 ASN A 18 57.366 -10.899 15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 18 58.209 -9.366 15.356 1.00 0.00 H new ATOM 290 N GLU A 19 55.049 -5.960 12.282 1.00 0.00 N ATOM 291 CA GLU A 19 53.918 -5.672 11.344 1.00 0.00 C ATOM 292 C GLU A 19 54.452 -5.560 9.910 1.00 0.00 C ATOM 293 O GLU A 19 53.849 -6.057 8.976 1.00 0.00 O ATOM 294 CB GLU A 19 53.336 -4.336 11.816 1.00 0.00 C ATOM 295 CG GLU A 19 52.334 -4.587 12.948 1.00 0.00 C ATOM 296 CD GLU A 19 52.059 -3.278 13.692 1.00 0.00 C ATOM 297 OE1 GLU A 19 52.818 -2.959 14.593 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.092 -2.619 13.351 1.00 0.00 O ATOM 0 H GLU A 19 55.215 -5.244 12.989 1.00 0.00 H new ATOM 0 HA GLU A 19 53.163 -6.458 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.135 -3.681 12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.844 -3.828 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.405 -4.988 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.729 -5.333 13.638 1.00 0.00 H new ATOM 305 N PHE A 20 55.594 -4.932 9.734 1.00 0.00 N ATOM 306 CA PHE A 20 56.187 -4.811 8.364 1.00 0.00 C ATOM 307 C PHE A 20 56.595 -6.201 7.856 1.00 0.00 C ATOM 308 O PHE A 20 56.537 -6.474 6.675 1.00 0.00 O ATOM 309 CB PHE A 20 57.419 -3.911 8.519 1.00 0.00 C ATOM 310 CG PHE A 20 56.992 -2.465 8.654 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.261 -1.842 7.632 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.329 -1.747 9.808 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.870 -0.505 7.768 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.938 -0.411 9.941 1.00 0.00 C ATOM 315 CZ PHE A 20 56.208 0.210 8.922 1.00 0.00 C ATOM 0 H PHE A 20 56.139 -4.499 10.480 1.00 0.00 H new ATOM 0 HA PHE A 20 55.481 -4.392 7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.992 -4.213 9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.074 -4.026 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 20 56.000 -2.393 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.891 -2.226 10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.307 -0.025 6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.200 0.142 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.905 1.241 9.026 1.00 0.00 H new ATOM 325 N LYS A 21 56.987 -7.087 8.747 1.00 0.00 N ATOM 326 CA LYS A 21 57.374 -8.470 8.323 1.00 0.00 C ATOM 327 C LYS A 21 56.169 -9.142 7.641 1.00 0.00 C ATOM 328 O LYS A 21 56.302 -9.761 6.602 1.00 0.00 O ATOM 329 CB LYS A 21 57.778 -9.187 9.628 1.00 0.00 C ATOM 330 CG LYS A 21 57.264 -10.635 9.648 1.00 0.00 C ATOM 331 CD LYS A 21 58.078 -11.489 8.672 1.00 0.00 C ATOM 332 CE LYS A 21 57.209 -12.636 8.149 1.00 0.00 C ATOM 333 NZ LYS A 21 57.507 -12.714 6.690 1.00 0.00 N ATOM 0 H LYS A 21 57.055 -6.909 9.749 1.00 0.00 H new ATOM 0 HA LYS A 21 58.192 -8.493 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.863 -9.182 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.377 -8.644 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.342 -11.044 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.209 -10.660 9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.429 -10.876 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.962 -11.887 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 57.449 -13.573 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 21 56.151 -12.442 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.935 -13.468 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.278 -11.805 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 58.516 -12.924 6.553 1.00 0.00 H new ATOM 347 N ALA A 22 54.994 -8.995 8.210 1.00 0.00 N ATOM 348 CA ALA A 22 53.771 -9.593 7.592 1.00 0.00 C ATOM 349 C ALA A 22 53.397 -8.800 6.331 1.00 0.00 C ATOM 350 O ALA A 22 53.023 -9.363 5.320 1.00 0.00 O ATOM 351 CB ALA A 22 52.679 -9.472 8.660 1.00 0.00 C ATOM 0 H ALA A 22 54.832 -8.485 9.078 1.00 0.00 H new ATOM 0 HA ALA A 22 53.915 -10.630 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.748 -9.891 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.982 -10.017 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.528 -8.422 8.909 1.00 0.00 H new ATOM 357 N ALA A 23 53.519 -7.493 6.380 1.00 0.00 N ATOM 358 CA ALA A 23 53.198 -6.655 5.180 1.00 0.00 C ATOM 359 C ALA A 23 54.198 -6.957 4.052 1.00 0.00 C ATOM 360 O ALA A 23 53.883 -6.840 2.882 1.00 0.00 O ATOM 361 CB ALA A 23 53.346 -5.209 5.655 1.00 0.00 C ATOM 0 H ALA A 23 53.827 -6.971 7.200 1.00 0.00 H new ATOM 0 HA ALA A 23 52.200 -6.852 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.127 -4.531 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.651 -5.022 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.366 -5.042 6.000 1.00 0.00 H new ATOM 367 N PHE A 24 55.398 -7.352 4.404 1.00 0.00 N ATOM 368 CA PHE A 24 56.431 -7.678 3.374 1.00 0.00 C ATOM 369 C PHE A 24 56.049 -8.968 2.629 1.00 0.00 C ATOM 370 O PHE A 24 56.313 -9.106 1.451 1.00 0.00 O ATOM 371 CB PHE A 24 57.730 -7.867 4.169 1.00 0.00 C ATOM 372 CG PHE A 24 58.927 -7.791 3.246 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.347 -8.929 2.548 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.620 -6.582 3.096 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.458 -8.860 1.698 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.732 -6.514 2.247 1.00 0.00 C ATOM 377 CZ PHE A 24 61.151 -7.652 1.547 1.00 0.00 C ATOM 0 H PHE A 24 55.707 -7.463 5.370 1.00 0.00 H new ATOM 0 HA PHE A 24 56.528 -6.899 2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.807 -7.100 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.716 -8.831 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.814 -9.861 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.297 -5.703 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.781 -9.738 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.267 -5.583 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.008 -7.598 0.891 1.00 0.00 H new ATOM 387 N ASP A 25 55.425 -9.910 3.307 1.00 0.00 N ATOM 388 CA ASP A 25 55.021 -11.193 2.640 1.00 0.00 C ATOM 389 C ASP A 25 54.217 -10.919 1.358 1.00 0.00 C ATOM 390 O ASP A 25 54.543 -11.418 0.298 1.00 0.00 O ATOM 391 CB ASP A 25 54.144 -11.927 3.665 1.00 0.00 C ATOM 392 CG ASP A 25 55.017 -12.587 4.735 1.00 0.00 C ATOM 393 OD1 ASP A 25 55.852 -13.401 4.378 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.830 -12.271 5.897 1.00 0.00 O ATOM 0 H ASP A 25 55.179 -9.844 4.295 1.00 0.00 H new ATOM 0 HA ASP A 25 55.892 -11.779 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 25 53.453 -11.225 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 25 53.540 -12.682 3.162 1.00 0.00 H new ATOM 399 N ILE A 26 53.170 -10.132 1.447 1.00 0.00 N ATOM 400 CA ILE A 26 52.348 -9.834 0.225 1.00 0.00 C ATOM 401 C ILE A 26 53.072 -8.841 -0.700 1.00 0.00 C ATOM 402 O ILE A 26 52.781 -8.764 -1.880 1.00 0.00 O ATOM 403 CB ILE A 26 51.020 -9.242 0.726 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.275 -7.984 1.570 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.279 -10.281 1.573 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.476 -6.811 0.997 1.00 0.00 C ATOM 0 H ILE A 26 52.849 -9.685 2.306 1.00 0.00 H new ATOM 0 HA ILE A 26 52.180 -10.739 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 26 50.413 -8.970 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.985 -8.163 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.339 -7.746 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.338 -9.858 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.075 -11.165 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.895 -10.560 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.658 -5.919 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.787 -6.626 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.413 -7.051 1.017 1.00 0.00 H new ATOM 418 N PHE A 27 54.020 -8.092 -0.189 1.00 0.00 N ATOM 419 CA PHE A 27 54.757 -7.129 -1.065 1.00 0.00 C ATOM 420 C PHE A 27 55.767 -7.881 -1.949 1.00 0.00 C ATOM 421 O PHE A 27 56.237 -7.356 -2.938 1.00 0.00 O ATOM 422 CB PHE A 27 55.485 -6.168 -0.114 1.00 0.00 C ATOM 423 CG PHE A 27 55.196 -4.733 -0.505 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.116 -4.366 -1.857 1.00 0.00 C ATOM 425 CD2 PHE A 27 55.008 -3.769 0.490 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.849 -3.037 -2.206 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.741 -2.442 0.139 1.00 0.00 C ATOM 428 CZ PHE A 27 54.661 -2.076 -1.208 1.00 0.00 C ATOM 0 H PHE A 27 54.313 -8.106 0.788 1.00 0.00 H new ATOM 0 HA PHE A 27 54.082 -6.593 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.163 -6.346 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.559 -6.354 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.260 -5.109 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.069 -4.050 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.788 -2.754 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.596 -1.699 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.454 -1.051 -1.478 1.00 0.00 H new ATOM 438 N VAL A 28 56.102 -9.103 -1.600 1.00 0.00 N ATOM 439 CA VAL A 28 57.080 -9.887 -2.422 1.00 0.00 C ATOM 440 C VAL A 28 56.516 -11.280 -2.759 1.00 0.00 C ATOM 441 O VAL A 28 57.260 -12.218 -2.982 1.00 0.00 O ATOM 442 CB VAL A 28 58.338 -10.009 -1.546 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.827 -8.616 -1.146 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.020 -10.818 -0.282 1.00 0.00 C ATOM 0 H VAL A 28 55.740 -9.591 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 28 57.292 -9.399 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 28 59.116 -10.519 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.718 -8.708 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.066 -8.043 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.046 -8.103 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.916 -10.900 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.236 -10.315 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.681 -11.815 -0.564 1.00 0.00 H new ATOM 454 N LEU A 29 55.210 -11.427 -2.800 1.00 0.00 N ATOM 455 CA LEU A 29 54.615 -12.767 -3.121 1.00 0.00 C ATOM 456 C LEU A 29 54.759 -13.092 -4.619 1.00 0.00 C ATOM 457 O LEU A 29 54.815 -14.245 -5.001 1.00 0.00 O ATOM 458 CB LEU A 29 53.134 -12.682 -2.706 1.00 0.00 C ATOM 459 CG LEU A 29 52.355 -11.750 -3.644 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.760 -12.560 -4.798 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.218 -11.082 -2.869 1.00 0.00 C ATOM 0 H LEU A 29 54.535 -10.682 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 29 55.128 -13.568 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.689 -13.677 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.060 -12.318 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 29 53.032 -10.992 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.208 -11.895 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.563 -13.044 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.086 -13.318 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.664 -10.420 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.547 -11.846 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.632 -10.503 -2.043 1.00 0.00 H new ATOM 473 N GLY A 30 54.822 -12.091 -5.466 1.00 0.00 N ATOM 474 CA GLY A 30 54.965 -12.353 -6.931 1.00 0.00 C ATOM 475 C GLY A 30 56.395 -12.036 -7.377 1.00 0.00 C ATOM 476 O GLY A 30 56.608 -11.446 -8.419 1.00 0.00 O ATOM 0 H GLY A 30 54.780 -11.106 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 30 54.729 -13.395 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 30 54.256 -11.742 -7.490 1.00 0.00 H new ATOM 480 N ALA A 31 57.376 -12.422 -6.598 1.00 0.00 N ATOM 481 CA ALA A 31 58.794 -12.140 -6.975 1.00 0.00 C ATOM 482 C ALA A 31 59.709 -13.282 -6.511 1.00 0.00 C ATOM 483 O ALA A 31 59.702 -13.662 -5.355 1.00 0.00 O ATOM 484 CB ALA A 31 59.136 -10.843 -6.239 1.00 0.00 C ATOM 0 H ALA A 31 57.255 -12.921 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 31 58.929 -12.052 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.165 -10.560 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.463 -10.050 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.023 -10.993 -5.165 1.00 0.00 H new ATOM 490 N GLU A 32 60.500 -13.825 -7.403 1.00 0.00 N ATOM 491 CA GLU A 32 61.425 -14.941 -7.014 1.00 0.00 C ATOM 492 C GLU A 32 62.643 -14.394 -6.252 1.00 0.00 C ATOM 493 O GLU A 32 63.369 -15.136 -5.618 1.00 0.00 O ATOM 494 CB GLU A 32 61.872 -15.583 -8.332 1.00 0.00 C ATOM 495 CG GLU A 32 60.678 -16.261 -9.012 1.00 0.00 C ATOM 496 CD GLU A 32 60.255 -15.450 -10.240 1.00 0.00 C ATOM 497 OE1 GLU A 32 59.622 -14.423 -10.058 1.00 0.00 O ATOM 498 OE2 GLU A 32 60.574 -15.870 -11.340 1.00 0.00 O ATOM 0 H GLU A 32 60.547 -13.546 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 32 60.932 -15.658 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 32 62.295 -14.825 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.658 -16.315 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.944 -17.276 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 32 59.846 -16.341 -8.313 1.00 0.00 H new ATOM 505 N ASP A 33 62.873 -13.103 -6.313 1.00 0.00 N ATOM 506 CA ASP A 33 64.042 -12.503 -5.596 1.00 0.00 C ATOM 507 C ASP A 33 63.831 -12.549 -4.075 1.00 0.00 C ATOM 508 O ASP A 33 64.777 -12.631 -3.315 1.00 0.00 O ATOM 509 CB ASP A 33 64.104 -11.048 -6.081 1.00 0.00 C ATOM 510 CG ASP A 33 64.290 -11.011 -7.600 1.00 0.00 C ATOM 511 OD1 ASP A 33 63.292 -11.056 -8.300 1.00 0.00 O ATOM 512 OD2 ASP A 33 65.427 -10.936 -8.035 1.00 0.00 O ATOM 0 H ASP A 33 62.299 -12.438 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 33 64.964 -13.046 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 33 63.188 -10.525 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 33 64.928 -10.528 -5.592 1.00 0.00 H new ATOM 517 N GLY A 34 62.599 -12.486 -3.625 1.00 0.00 N ATOM 518 CA GLY A 34 62.327 -12.515 -2.154 1.00 0.00 C ATOM 519 C GLY A 34 62.383 -11.090 -1.581 1.00 0.00 C ATOM 520 O GLY A 34 62.410 -10.903 -0.380 1.00 0.00 O ATOM 0 H GLY A 34 61.770 -12.416 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.347 -12.953 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 63.060 -13.147 -1.653 1.00 0.00 H new ATOM 524 N CYS A 35 62.402 -10.086 -2.429 1.00 0.00 N ATOM 525 CA CYS A 35 62.458 -8.675 -1.937 1.00 0.00 C ATOM 526 C CYS A 35 61.480 -7.799 -2.733 1.00 0.00 C ATOM 527 O CYS A 35 60.945 -8.213 -3.747 1.00 0.00 O ATOM 528 CB CYS A 35 63.904 -8.232 -2.181 1.00 0.00 C ATOM 529 SG CYS A 35 64.996 -9.035 -0.981 1.00 0.00 S ATOM 0 H CYS A 35 62.381 -10.187 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 35 62.177 -8.588 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.208 -8.491 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.983 -7.149 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 35 64.340 -9.963 -0.350 1.00 0.00 H new ATOM 535 N ILE A 36 61.240 -6.592 -2.285 1.00 0.00 N ATOM 536 CA ILE A 36 60.293 -5.693 -3.019 1.00 0.00 C ATOM 537 C ILE A 36 61.006 -5.026 -4.205 1.00 0.00 C ATOM 538 O ILE A 36 61.794 -4.114 -4.040 1.00 0.00 O ATOM 539 CB ILE A 36 59.841 -4.647 -1.989 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.032 -5.335 -0.883 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.962 -3.594 -2.674 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.926 -4.410 0.331 1.00 0.00 C ATOM 0 H ILE A 36 61.657 -6.190 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 36 59.444 -6.238 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 36 60.719 -4.165 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.036 -5.585 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.511 -6.272 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.643 -2.853 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.531 -3.102 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.086 -4.077 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.350 -4.903 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.925 -4.182 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.427 -3.485 0.041 1.00 0.00 H new ATOM 554 N SER A 37 60.726 -5.480 -5.400 1.00 0.00 N ATOM 555 CA SER A 37 61.374 -4.881 -6.607 1.00 0.00 C ATOM 556 C SER A 37 60.455 -3.823 -7.233 1.00 0.00 C ATOM 557 O SER A 37 59.388 -3.538 -6.723 1.00 0.00 O ATOM 558 CB SER A 37 61.584 -6.053 -7.570 1.00 0.00 C ATOM 559 OG SER A 37 60.320 -6.606 -7.926 1.00 0.00 O ATOM 0 H SER A 37 60.075 -6.241 -5.593 1.00 0.00 H new ATOM 0 HA SER A 37 62.312 -4.381 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.110 -5.715 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.208 -6.815 -7.102 1.00 0.00 H new ATOM 0 HG SER A 37 60.453 -7.355 -8.544 1.00 0.00 H new ATOM 565 N THR A 38 60.861 -3.245 -8.335 1.00 0.00 N ATOM 566 CA THR A 38 60.012 -2.204 -9.006 1.00 0.00 C ATOM 567 C THR A 38 58.647 -2.791 -9.390 1.00 0.00 C ATOM 568 O THR A 38 57.620 -2.171 -9.185 1.00 0.00 O ATOM 569 CB THR A 38 60.785 -1.785 -10.263 1.00 0.00 C ATOM 570 OG1 THR A 38 61.425 -2.921 -10.836 1.00 0.00 O ATOM 571 CG2 THR A 38 61.835 -0.733 -9.897 1.00 0.00 C ATOM 0 H THR A 38 61.745 -3.447 -8.803 1.00 0.00 H new ATOM 0 HA THR A 38 59.822 -1.356 -8.348 1.00 0.00 H new ATOM 0 HB THR A 38 60.088 -1.362 -10.987 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.374 -2.920 -10.591 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.382 -0.438 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.342 0.140 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.530 -1.151 -9.169 1.00 0.00 H new ATOM 579 N LYS A 39 58.632 -3.983 -9.938 1.00 0.00 N ATOM 580 CA LYS A 39 57.335 -4.619 -10.327 1.00 0.00 C ATOM 581 C LYS A 39 56.467 -4.851 -9.082 1.00 0.00 C ATOM 582 O LYS A 39 55.287 -4.556 -9.080 1.00 0.00 O ATOM 583 CB LYS A 39 57.721 -5.951 -10.983 1.00 0.00 C ATOM 584 CG LYS A 39 56.462 -6.651 -11.506 1.00 0.00 C ATOM 585 CD LYS A 39 55.916 -7.596 -10.432 1.00 0.00 C ATOM 586 CE LYS A 39 55.991 -9.040 -10.931 1.00 0.00 C ATOM 587 NZ LYS A 39 55.152 -9.828 -9.979 1.00 0.00 N ATOM 0 H LYS A 39 59.463 -4.542 -10.132 1.00 0.00 H new ATOM 0 HA LYS A 39 56.753 -3.994 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.419 -5.776 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.231 -6.589 -10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 39 55.707 -5.912 -11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.694 -7.210 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.491 -7.488 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 39 54.884 -7.336 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.614 -9.124 -11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.020 -9.400 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.661 -10.691 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 54.953 -9.254 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 54.256 -10.088 -10.439 1.00 0.00 H new ATOM 601 N GLU A 40 57.044 -5.370 -8.024 1.00 0.00 N ATOM 602 CA GLU A 40 56.252 -5.613 -6.776 1.00 0.00 C ATOM 603 C GLU A 40 55.865 -4.277 -6.118 1.00 0.00 C ATOM 604 O GLU A 40 54.839 -4.175 -5.473 1.00 0.00 O ATOM 605 CB GLU A 40 57.173 -6.431 -5.864 1.00 0.00 C ATOM 606 CG GLU A 40 57.334 -7.852 -6.427 1.00 0.00 C ATOM 607 CD GLU A 40 55.991 -8.592 -6.388 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.688 -9.184 -5.364 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.287 -8.557 -7.385 1.00 0.00 O ATOM 0 H GLU A 40 58.027 -5.635 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 40 55.320 -6.140 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.147 -5.948 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.758 -6.474 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.702 -7.806 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.076 -8.399 -5.846 1.00 0.00 H new ATOM 616 N LEU A 41 56.664 -3.249 -6.295 1.00 0.00 N ATOM 617 CA LEU A 41 56.323 -1.916 -5.705 1.00 0.00 C ATOM 618 C LEU A 41 55.173 -1.300 -6.507 1.00 0.00 C ATOM 619 O LEU A 41 54.103 -1.057 -5.988 1.00 0.00 O ATOM 620 CB LEU A 41 57.592 -1.070 -5.858 1.00 0.00 C ATOM 621 CG LEU A 41 57.626 0.066 -4.822 1.00 0.00 C ATOM 622 CD1 LEU A 41 56.206 0.514 -4.439 1.00 0.00 C ATOM 623 CD2 LEU A 41 58.362 -0.420 -3.571 1.00 0.00 C ATOM 0 H LEU A 41 57.537 -3.277 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 41 56.011 -1.981 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 41 58.472 -1.703 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.635 -0.651 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 41 58.144 0.919 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 56.264 1.318 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.685 0.870 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.661 -0.328 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 41 58.390 0.380 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 41 57.841 -1.281 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 59.380 -0.705 -3.836 1.00 0.00 H new ATOM 635 N GLY A 42 55.395 -1.062 -7.779 1.00 0.00 N ATOM 636 CA GLY A 42 54.326 -0.479 -8.653 1.00 0.00 C ATOM 637 C GLY A 42 53.016 -1.268 -8.477 1.00 0.00 C ATOM 638 O GLY A 42 51.938 -0.718 -8.592 1.00 0.00 O ATOM 0 H GLY A 42 56.279 -1.248 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 54.167 0.569 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.641 -0.508 -9.696 1.00 0.00 H new ATOM 642 N LYS A 43 53.110 -2.549 -8.190 1.00 0.00 N ATOM 643 CA LYS A 43 51.883 -3.391 -7.987 1.00 0.00 C ATOM 644 C LYS A 43 50.906 -2.702 -7.017 1.00 0.00 C ATOM 645 O LYS A 43 49.729 -2.579 -7.294 1.00 0.00 O ATOM 646 CB LYS A 43 52.412 -4.698 -7.383 1.00 0.00 C ATOM 647 CG LYS A 43 51.247 -5.615 -6.997 1.00 0.00 C ATOM 648 CD LYS A 43 51.553 -6.295 -5.657 1.00 0.00 C ATOM 649 CE LYS A 43 52.521 -7.463 -5.877 1.00 0.00 C ATOM 650 NZ LYS A 43 53.477 -7.398 -4.732 1.00 0.00 N ATOM 0 H LYS A 43 53.992 -3.051 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 43 51.333 -3.554 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.059 -5.203 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 43 53.019 -4.481 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.325 -5.038 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.090 -6.367 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.989 -5.575 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 43 50.630 -6.656 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 43 51.992 -8.416 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.041 -7.370 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.139 -8.198 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.008 -6.505 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.950 -7.446 -3.837 1.00 0.00 H new ATOM 664 N VAL A 44 51.393 -2.245 -5.889 1.00 0.00 N ATOM 665 CA VAL A 44 50.497 -1.554 -4.903 1.00 0.00 C ATOM 666 C VAL A 44 50.313 -0.073 -5.288 1.00 0.00 C ATOM 667 O VAL A 44 49.332 0.549 -4.929 1.00 0.00 O ATOM 668 CB VAL A 44 51.190 -1.688 -3.534 1.00 0.00 C ATOM 669 CG1 VAL A 44 51.253 -3.163 -3.128 1.00 0.00 C ATOM 670 CG2 VAL A 44 52.613 -1.123 -3.598 1.00 0.00 C ATOM 0 H VAL A 44 52.370 -2.319 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 44 49.502 -1.998 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 44 50.615 -1.126 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.744 -3.253 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.242 -3.566 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 44 51.818 -3.722 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 44 53.089 -1.225 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 44 53.189 -1.672 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.574 -0.069 -3.874 1.00 0.00 H new ATOM 680 N MET A 45 51.245 0.487 -6.025 1.00 0.00 N ATOM 681 CA MET A 45 51.125 1.920 -6.448 1.00 0.00 C ATOM 682 C MET A 45 49.926 2.099 -7.393 1.00 0.00 C ATOM 683 O MET A 45 49.223 3.090 -7.334 1.00 0.00 O ATOM 684 CB MET A 45 52.431 2.226 -7.191 1.00 0.00 C ATOM 685 CG MET A 45 53.545 2.517 -6.186 1.00 0.00 C ATOM 686 SD MET A 45 54.139 4.207 -6.425 1.00 0.00 S ATOM 687 CE MET A 45 54.954 4.376 -4.820 1.00 0.00 C ATOM 0 H MET A 45 52.086 0.011 -6.352 1.00 0.00 H new ATOM 0 HA MET A 45 50.967 2.585 -5.599 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.709 1.380 -7.820 1.00 0.00 H new ATOM 0 HB3 MET A 45 52.292 3.082 -7.851 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.175 2.390 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.364 1.810 -6.318 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.199 5.423 -4.645 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.286 4.024 -4.034 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.868 3.783 -4.812 1.00 0.00 H new ATOM 697 N ARG A 46 49.697 1.143 -8.264 1.00 0.00 N ATOM 698 CA ARG A 46 48.552 1.238 -9.228 1.00 0.00 C ATOM 699 C ARG A 46 47.210 1.283 -8.484 1.00 0.00 C ATOM 700 O ARG A 46 46.391 2.149 -8.724 1.00 0.00 O ATOM 701 CB ARG A 46 48.646 -0.031 -10.082 1.00 0.00 C ATOM 702 CG ARG A 46 48.097 0.252 -11.482 1.00 0.00 C ATOM 703 CD ARG A 46 48.329 -0.968 -12.377 1.00 0.00 C ATOM 704 NE ARG A 46 48.442 -0.417 -13.759 1.00 0.00 N ATOM 705 CZ ARG A 46 49.018 -1.114 -14.697 1.00 0.00 C ATOM 706 NH1 ARG A 46 48.369 -2.085 -15.276 1.00 0.00 N ATOM 707 NH2 ARG A 46 50.242 -0.842 -15.054 1.00 0.00 N ATOM 0 H ARG A 46 50.258 0.295 -8.349 1.00 0.00 H new ATOM 0 HA ARG A 46 48.604 2.146 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.682 -0.362 -10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.082 -0.838 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.032 0.479 -11.428 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.589 1.127 -11.907 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.235 -1.502 -12.090 1.00 0.00 H new ATOM 0 HD3 ARG A 46 47.504 -1.676 -12.301 1.00 0.00 H new ATOM 0 HE ARG A 46 48.067 0.508 -13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.412 -2.298 -14.994 1.00 0.00 H new ATOM 0 HH12 ARG A 46 48.818 -2.632 -16.011 1.00 0.00 H new ATOM 0 HH21 ARG A 46 50.749 -0.083 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 46 50.692 -1.388 -15.788 1.00 0.00 H new ATOM 721 N MET A 47 46.976 0.354 -7.591 1.00 0.00 N ATOM 722 CA MET A 47 45.680 0.343 -6.839 1.00 0.00 C ATOM 723 C MET A 47 45.572 1.557 -5.899 1.00 0.00 C ATOM 724 O MET A 47 44.485 2.019 -5.606 1.00 0.00 O ATOM 725 CB MET A 47 45.668 -0.973 -6.046 1.00 0.00 C ATOM 726 CG MET A 47 46.816 -1.001 -5.031 1.00 0.00 C ATOM 727 SD MET A 47 46.686 -2.498 -4.024 1.00 0.00 S ATOM 728 CE MET A 47 46.441 -1.677 -2.432 1.00 0.00 C ATOM 0 H MET A 47 47.623 -0.396 -7.349 1.00 0.00 H new ATOM 0 HA MET A 47 44.828 0.408 -7.516 1.00 0.00 H new ATOM 0 HB2 MET A 47 44.715 -1.084 -5.529 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.759 -1.817 -6.730 1.00 0.00 H new ATOM 0 HG2 MET A 47 47.775 -0.979 -5.549 1.00 0.00 H new ATOM 0 HG3 MET A 47 46.776 -0.116 -4.395 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.512 -2.411 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.207 -0.914 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.456 -1.211 -2.411 1.00 0.00 H new ATOM 738 N LEU A 48 46.680 2.079 -5.425 1.00 0.00 N ATOM 739 CA LEU A 48 46.620 3.261 -4.509 1.00 0.00 C ATOM 740 C LEU A 48 46.413 4.558 -5.308 1.00 0.00 C ATOM 741 O LEU A 48 45.592 5.384 -4.955 1.00 0.00 O ATOM 742 CB LEU A 48 47.970 3.284 -3.788 1.00 0.00 C ATOM 743 CG LEU A 48 47.794 3.911 -2.403 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.308 2.945 -1.333 1.00 0.00 C ATOM 745 CD2 LEU A 48 48.583 5.219 -2.327 1.00 0.00 C ATOM 0 H LEU A 48 47.619 1.738 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 48 45.787 3.188 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 48.362 2.271 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.695 3.854 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 48 46.737 4.114 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 48.182 3.393 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 47.744 2.013 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 48 49.364 2.739 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 48.456 5.664 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 48 49.640 5.017 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.216 5.910 -3.086 1.00 0.00 H new ATOM 757 N GLY A 49 47.151 4.744 -6.377 1.00 0.00 N ATOM 758 CA GLY A 49 46.995 5.989 -7.192 1.00 0.00 C ATOM 759 C GLY A 49 47.259 5.687 -8.671 1.00 0.00 C ATOM 760 O GLY A 49 46.340 5.569 -9.458 1.00 0.00 O ATOM 0 H GLY A 49 47.853 4.088 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 49 45.989 6.390 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 49 47.688 6.753 -6.839 1.00 0.00 H new ATOM 764 N GLN A 50 48.506 5.567 -9.057 1.00 0.00 N ATOM 765 CA GLN A 50 48.822 5.276 -10.492 1.00 0.00 C ATOM 766 C GLN A 50 50.096 4.433 -10.616 1.00 0.00 C ATOM 767 O GLN A 50 50.909 4.375 -9.714 1.00 0.00 O ATOM 768 CB GLN A 50 49.020 6.646 -11.152 1.00 0.00 C ATOM 769 CG GLN A 50 50.296 7.300 -10.612 1.00 0.00 C ATOM 770 CD GLN A 50 51.462 7.057 -11.578 1.00 0.00 C ATOM 771 OE1 GLN A 50 51.402 7.432 -12.731 1.00 0.00 O ATOM 772 NE2 GLN A 50 52.533 6.446 -11.150 1.00 0.00 N ATOM 0 H GLN A 50 49.316 5.657 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 50 48.025 4.704 -10.967 1.00 0.00 H new ATOM 0 HB2 GLN A 50 49.088 6.533 -12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.160 7.285 -10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 50 50.138 8.371 -10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 50 50.536 6.892 -9.630 1.00 0.00 H new ATOM 0 HE21 GLN A 50 52.587 6.129 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 50 53.316 6.285 -11.784 1.00 0.00 H new ATOM 781 N ASN A 51 50.270 3.791 -11.743 1.00 0.00 N ATOM 782 CA ASN A 51 51.485 2.951 -11.969 1.00 0.00 C ATOM 783 C ASN A 51 51.486 2.422 -13.411 1.00 0.00 C ATOM 784 O ASN A 51 50.902 1.393 -13.689 1.00 0.00 O ATOM 785 CB ASN A 51 51.367 1.797 -10.967 1.00 0.00 C ATOM 786 CG ASN A 51 52.449 0.752 -11.247 1.00 0.00 C ATOM 787 OD1 ASN A 51 53.625 1.035 -11.148 1.00 0.00 O ATOM 788 ND2 ASN A 51 52.100 -0.453 -11.602 1.00 0.00 N ATOM 0 H ASN A 51 49.615 3.813 -12.525 1.00 0.00 H new ATOM 0 HA ASN A 51 52.411 3.508 -11.830 1.00 0.00 H new ATOM 0 HB2 ASN A 51 51.469 2.175 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 51 50.380 1.340 -11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.815 -1.155 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.112 -0.694 -11.686 1.00 0.00 H new ATOM 795 N PRO A 52 52.142 3.145 -14.287 1.00 0.00 N ATOM 796 CA PRO A 52 52.208 2.729 -15.710 1.00 0.00 C ATOM 797 C PRO A 52 53.148 1.522 -15.867 1.00 0.00 C ATOM 798 O PRO A 52 52.718 0.433 -16.197 1.00 0.00 O ATOM 799 CB PRO A 52 52.745 3.971 -16.423 1.00 0.00 C ATOM 800 CG PRO A 52 53.488 4.740 -15.374 1.00 0.00 C ATOM 801 CD PRO A 52 52.872 4.398 -14.040 1.00 0.00 C ATOM 0 HA PRO A 52 51.250 2.408 -16.118 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.402 3.697 -17.249 1.00 0.00 H new ATOM 0 HB3 PRO A 52 51.933 4.564 -16.844 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.546 4.480 -15.386 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.421 5.811 -15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.634 4.269 -13.271 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.203 5.187 -13.697 1.00 0.00 H new ATOM 809 N THR A 53 54.419 1.706 -15.618 1.00 0.00 N ATOM 810 CA THR A 53 55.388 0.581 -15.733 1.00 0.00 C ATOM 811 C THR A 53 56.241 0.505 -14.460 1.00 0.00 C ATOM 812 O THR A 53 56.404 1.492 -13.767 1.00 0.00 O ATOM 813 CB THR A 53 56.259 0.922 -16.948 1.00 0.00 C ATOM 814 OG1 THR A 53 56.504 2.324 -16.992 1.00 0.00 O ATOM 815 CG2 THR A 53 55.544 0.486 -18.229 1.00 0.00 C ATOM 0 H THR A 53 54.828 2.597 -15.337 1.00 0.00 H new ATOM 0 HA THR A 53 54.896 -0.384 -15.852 1.00 0.00 H new ATOM 0 HB THR A 53 57.210 0.396 -16.865 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.062 2.534 -17.770 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.164 0.729 -19.092 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.368 -0.589 -18.199 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.590 1.008 -18.309 1.00 0.00 H new ATOM 823 N PRO A 54 56.764 -0.666 -14.193 1.00 0.00 N ATOM 824 CA PRO A 54 57.612 -0.867 -12.984 1.00 0.00 C ATOM 825 C PRO A 54 58.924 -0.068 -13.089 1.00 0.00 C ATOM 826 O PRO A 54 59.491 0.335 -12.092 1.00 0.00 O ATOM 827 CB PRO A 54 57.868 -2.374 -12.978 1.00 0.00 C ATOM 828 CG PRO A 54 57.691 -2.796 -14.400 1.00 0.00 C ATOM 829 CD PRO A 54 56.629 -1.900 -14.977 1.00 0.00 C ATOM 0 HA PRO A 54 57.139 -0.519 -12.066 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.871 -2.604 -12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.168 -2.892 -12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.625 -2.699 -14.954 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.392 -3.842 -14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 54 56.789 -1.720 -16.040 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.635 -2.336 -14.873 1.00 0.00 H new ATOM 837 N GLU A 55 59.402 0.172 -14.287 1.00 0.00 N ATOM 838 CA GLU A 55 60.672 0.954 -14.459 1.00 0.00 C ATOM 839 C GLU A 55 60.528 2.364 -13.858 1.00 0.00 C ATOM 840 O GLU A 55 61.471 2.913 -13.320 1.00 0.00 O ATOM 841 CB GLU A 55 60.888 1.042 -15.975 1.00 0.00 C ATOM 842 CG GLU A 55 61.110 -0.361 -16.553 1.00 0.00 C ATOM 843 CD GLU A 55 59.938 -0.730 -17.465 1.00 0.00 C ATOM 844 OE1 GLU A 55 58.935 -1.191 -16.948 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.063 -0.543 -18.663 1.00 0.00 O ATOM 0 H GLU A 55 58.968 -0.140 -15.156 1.00 0.00 H new ATOM 0 HA GLU A 55 61.511 0.479 -13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.023 1.507 -16.448 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.749 1.675 -16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.044 -0.391 -17.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.199 -1.088 -15.746 1.00 0.00 H new ATOM 852 N GLU A 56 59.355 2.949 -13.947 1.00 0.00 N ATOM 853 CA GLU A 56 59.145 4.324 -13.385 1.00 0.00 C ATOM 854 C GLU A 56 59.359 4.350 -11.858 1.00 0.00 C ATOM 855 O GLU A 56 59.623 5.392 -11.287 1.00 0.00 O ATOM 856 CB GLU A 56 57.692 4.679 -13.729 1.00 0.00 C ATOM 857 CG GLU A 56 57.482 6.189 -13.562 1.00 0.00 C ATOM 858 CD GLU A 56 55.995 6.530 -13.687 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.263 6.272 -12.745 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.612 7.053 -14.720 1.00 0.00 O ATOM 0 H GLU A 56 58.533 2.533 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 56 59.857 5.036 -13.802 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.466 4.381 -14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.009 4.132 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 57.856 6.511 -12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.052 6.729 -14.318 1.00 0.00 H new ATOM 867 N LEU A 57 59.251 3.222 -11.193 1.00 0.00 N ATOM 868 CA LEU A 57 59.450 3.206 -9.707 1.00 0.00 C ATOM 869 C LEU A 57 60.946 3.217 -9.348 1.00 0.00 C ATOM 870 O LEU A 57 61.304 3.425 -8.205 1.00 0.00 O ATOM 871 CB LEU A 57 58.813 1.901 -9.207 1.00 0.00 C ATOM 872 CG LEU A 57 57.277 1.965 -9.273 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.765 3.243 -8.605 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.810 1.931 -10.730 1.00 0.00 C ATOM 0 H LEU A 57 59.035 2.317 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 57 59.000 4.087 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.170 1.066 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.127 1.711 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 57 56.875 1.101 -8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.677 3.272 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.075 3.257 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.178 4.112 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.722 1.977 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.226 2.784 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.149 1.008 -11.199 1.00 0.00 H new ATOM 886 N GLN A 58 61.822 2.987 -10.303 1.00 0.00 N ATOM 887 CA GLN A 58 63.289 2.983 -9.991 1.00 0.00 C ATOM 888 C GLN A 58 63.688 4.281 -9.264 1.00 0.00 C ATOM 889 O GLN A 58 64.523 4.270 -8.386 1.00 0.00 O ATOM 890 CB GLN A 58 64.005 2.839 -11.348 1.00 0.00 C ATOM 891 CG GLN A 58 64.299 4.214 -11.965 1.00 0.00 C ATOM 892 CD GLN A 58 65.323 4.057 -13.090 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.967 4.002 -14.249 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.591 3.982 -12.796 1.00 0.00 N ATOM 0 H GLN A 58 61.585 2.803 -11.278 1.00 0.00 H new ATOM 0 HA GLN A 58 63.565 2.168 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.937 2.290 -11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.386 2.256 -12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.381 4.655 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.681 4.893 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.892 4.028 -11.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.282 3.877 -13.539 1.00 0.00 H new ATOM 903 N GLU A 59 63.079 5.395 -9.606 1.00 0.00 N ATOM 904 CA GLU A 59 63.414 6.680 -8.909 1.00 0.00 C ATOM 905 C GLU A 59 63.209 6.522 -7.394 1.00 0.00 C ATOM 906 O GLU A 59 63.934 7.085 -6.597 1.00 0.00 O ATOM 907 CB GLU A 59 62.436 7.715 -9.476 1.00 0.00 C ATOM 908 CG GLU A 59 63.114 8.498 -10.606 1.00 0.00 C ATOM 909 CD GLU A 59 64.037 9.565 -10.012 1.00 0.00 C ATOM 910 OE1 GLU A 59 63.523 10.536 -9.479 1.00 0.00 O ATOM 911 OE2 GLU A 59 65.241 9.392 -10.098 1.00 0.00 O ATOM 0 H GLU A 59 62.368 5.469 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 59 64.451 6.976 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 59 61.541 7.218 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.116 8.397 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 63.686 7.820 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 59 62.361 8.967 -11.240 1.00 0.00 H new ATOM 918 N MET A 60 62.228 5.745 -7.003 1.00 0.00 N ATOM 919 CA MET A 60 61.956 5.520 -5.550 1.00 0.00 C ATOM 920 C MET A 60 62.889 4.437 -4.986 1.00 0.00 C ATOM 921 O MET A 60 63.277 4.483 -3.834 1.00 0.00 O ATOM 922 CB MET A 60 60.499 5.048 -5.493 1.00 0.00 C ATOM 923 CG MET A 60 59.577 6.250 -5.276 1.00 0.00 C ATOM 924 SD MET A 60 58.870 6.764 -6.862 1.00 0.00 S ATOM 925 CE MET A 60 57.177 6.215 -6.541 1.00 0.00 C ATOM 0 H MET A 60 61.598 5.252 -7.636 1.00 0.00 H new ATOM 0 HA MET A 60 62.125 6.420 -4.958 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.235 4.537 -6.419 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.371 4.328 -4.685 1.00 0.00 H new ATOM 0 HG2 MET A 60 58.781 5.990 -4.578 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.135 7.074 -4.830 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.568 6.372 -7.432 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.180 5.155 -6.286 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.760 6.786 -5.711 1.00 0.00 H new ATOM 935 N ILE A 61 63.245 3.458 -5.784 1.00 0.00 N ATOM 936 CA ILE A 61 64.144 2.368 -5.286 1.00 0.00 C ATOM 937 C ILE A 61 65.617 2.808 -5.321 1.00 0.00 C ATOM 938 O ILE A 61 66.408 2.390 -4.501 1.00 0.00 O ATOM 939 CB ILE A 61 63.888 1.171 -6.222 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.181 -0.129 -5.470 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.784 1.245 -7.464 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.288 -1.246 -6.012 1.00 0.00 C ATOM 0 H ILE A 61 62.952 3.367 -6.757 1.00 0.00 H new ATOM 0 HA ILE A 61 63.937 2.112 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 61 62.846 1.198 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.230 -0.400 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.003 0.008 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.584 0.389 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 64.575 2.166 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.830 1.233 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.497 -2.172 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.241 -0.975 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.488 -1.389 -7.074 1.00 0.00 H new ATOM 954 N ASP A 62 65.991 3.643 -6.258 1.00 0.00 N ATOM 955 CA ASP A 62 67.414 4.097 -6.341 1.00 0.00 C ATOM 956 C ASP A 62 67.769 5.015 -5.163 1.00 0.00 C ATOM 957 O ASP A 62 68.816 4.876 -4.558 1.00 0.00 O ATOM 958 CB ASP A 62 67.511 4.865 -7.664 1.00 0.00 C ATOM 959 CG ASP A 62 67.795 3.894 -8.816 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.790 3.193 -8.743 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.012 3.871 -9.752 1.00 0.00 O ATOM 0 H ASP A 62 65.372 4.031 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 62 68.107 3.257 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.581 5.402 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.303 5.611 -7.603 1.00 0.00 H new ATOM 966 N GLU A 63 66.913 5.954 -4.838 1.00 0.00 N ATOM 967 CA GLU A 63 67.209 6.891 -3.704 1.00 0.00 C ATOM 968 C GLU A 63 67.330 6.142 -2.362 1.00 0.00 C ATOM 969 O GLU A 63 67.953 6.629 -1.437 1.00 0.00 O ATOM 970 CB GLU A 63 66.030 7.877 -3.667 1.00 0.00 C ATOM 971 CG GLU A 63 64.721 7.137 -3.349 1.00 0.00 C ATOM 972 CD GLU A 63 63.900 7.937 -2.331 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.410 8.188 -1.251 1.00 0.00 O ATOM 974 OE2 GLU A 63 62.773 8.278 -2.647 1.00 0.00 O ATOM 0 H GLU A 63 66.022 6.113 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 63 68.163 7.396 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.213 8.644 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.943 8.386 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 63 64.143 6.994 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.941 6.146 -2.953 1.00 0.00 H new ATOM 981 N VAL A 64 66.736 4.976 -2.239 1.00 0.00 N ATOM 982 CA VAL A 64 66.817 4.225 -0.942 1.00 0.00 C ATOM 983 C VAL A 64 67.738 2.995 -1.054 1.00 0.00 C ATOM 984 O VAL A 64 68.275 2.538 -0.063 1.00 0.00 O ATOM 985 CB VAL A 64 65.375 3.792 -0.636 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.323 3.094 0.727 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.464 5.022 -0.596 1.00 0.00 C ATOM 0 H VAL A 64 66.202 4.514 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 64 67.240 4.846 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 64 65.038 3.108 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.299 2.788 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.968 2.215 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.665 3.781 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.442 4.711 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.808 5.705 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 64 64.492 5.527 -1.562 1.00 0.00 H new ATOM 997 N ASP A 65 67.924 2.450 -2.236 1.00 0.00 N ATOM 998 CA ASP A 65 68.809 1.247 -2.371 1.00 0.00 C ATOM 999 C ASP A 65 70.292 1.657 -2.285 1.00 0.00 C ATOM 1000 O ASP A 65 70.854 1.714 -1.208 1.00 0.00 O ATOM 1001 CB ASP A 65 68.461 0.638 -3.740 1.00 0.00 C ATOM 1002 CG ASP A 65 69.224 -0.675 -3.937 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.736 -1.694 -3.480 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.281 -0.643 -4.545 1.00 0.00 O ATOM 0 H ASP A 65 67.505 2.783 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 65 68.652 0.524 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.388 0.458 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.716 1.339 -4.535 1.00 0.00 H new ATOM 1009 N GLU A 66 70.925 1.944 -3.404 1.00 0.00 N ATOM 1010 CA GLU A 66 72.371 2.352 -3.395 1.00 0.00 C ATOM 1011 C GLU A 66 73.229 1.379 -2.560 1.00 0.00 C ATOM 1012 O GLU A 66 74.195 1.777 -1.935 1.00 0.00 O ATOM 1013 CB GLU A 66 72.382 3.754 -2.774 1.00 0.00 C ATOM 1014 CG GLU A 66 72.395 4.808 -3.888 1.00 0.00 C ATOM 1015 CD GLU A 66 73.813 4.949 -4.448 1.00 0.00 C ATOM 1016 OE1 GLU A 66 74.136 4.226 -5.377 1.00 0.00 O ATOM 1017 OE2 GLU A 66 74.551 5.776 -3.940 1.00 0.00 O ATOM 0 H GLU A 66 70.497 1.912 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 66 72.797 2.339 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.505 3.890 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.257 3.874 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 66 71.707 4.520 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 72.050 5.766 -3.499 1.00 0.00 H new ATOM 1024 N ASP A 67 72.889 0.111 -2.543 1.00 0.00 N ATOM 1025 CA ASP A 67 73.695 -0.868 -1.743 1.00 0.00 C ATOM 1026 C ASP A 67 74.385 -1.905 -2.650 1.00 0.00 C ATOM 1027 O ASP A 67 75.373 -2.504 -2.268 1.00 0.00 O ATOM 1028 CB ASP A 67 72.686 -1.532 -0.788 1.00 0.00 C ATOM 1029 CG ASP A 67 71.924 -2.666 -1.487 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.396 -2.436 -2.558 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.865 -3.747 -0.928 1.00 0.00 O ATOM 0 H ASP A 67 72.095 -0.286 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 67 74.503 -0.379 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.210 -1.925 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.980 -0.786 -0.425 1.00 0.00 H new ATOM 1036 N GLY A 68 73.878 -2.123 -3.841 1.00 0.00 N ATOM 1037 CA GLY A 68 74.510 -3.122 -4.756 1.00 0.00 C ATOM 1038 C GLY A 68 73.456 -4.119 -5.256 1.00 0.00 C ATOM 1039 O GLY A 68 73.556 -4.633 -6.352 1.00 0.00 O ATOM 0 H GLY A 68 73.055 -1.652 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.970 -2.612 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.306 -3.653 -4.234 1.00 0.00 H new ATOM 1043 N SER A 69 72.450 -4.398 -4.462 1.00 0.00 N ATOM 1044 CA SER A 69 71.393 -5.367 -4.893 1.00 0.00 C ATOM 1045 C SER A 69 70.404 -4.707 -5.871 1.00 0.00 C ATOM 1046 O SER A 69 69.919 -5.346 -6.786 1.00 0.00 O ATOM 1047 CB SER A 69 70.693 -5.801 -3.594 1.00 0.00 C ATOM 1048 OG SER A 69 69.453 -5.114 -3.448 1.00 0.00 O ATOM 0 H SER A 69 72.315 -3.997 -3.534 1.00 0.00 H new ATOM 0 HA SER A 69 71.813 -6.219 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.521 -6.877 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.336 -5.592 -2.739 1.00 0.00 H new ATOM 1054 N GLY A 70 70.100 -3.441 -5.692 1.00 0.00 N ATOM 1055 CA GLY A 70 69.143 -2.759 -6.623 1.00 0.00 C ATOM 1056 C GLY A 70 67.708 -2.875 -6.087 1.00 0.00 C ATOM 1057 O GLY A 70 66.993 -1.896 -5.999 1.00 0.00 O ATOM 0 H GLY A 70 70.471 -2.854 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.415 -1.709 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.206 -3.208 -7.614 1.00 0.00 H new ATOM 1061 N THR A 71 67.279 -4.065 -5.742 1.00 0.00 N ATOM 1062 CA THR A 71 65.882 -4.249 -5.223 1.00 0.00 C ATOM 1063 C THR A 71 65.785 -3.836 -3.747 1.00 0.00 C ATOM 1064 O THR A 71 66.759 -3.872 -3.011 1.00 0.00 O ATOM 1065 CB THR A 71 65.588 -5.746 -5.377 1.00 0.00 C ATOM 1066 OG1 THR A 71 65.566 -6.082 -6.756 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.232 -6.083 -4.754 1.00 0.00 C ATOM 0 H THR A 71 67.834 -4.919 -5.797 1.00 0.00 H new ATOM 0 HA THR A 71 65.168 -3.631 -5.767 1.00 0.00 H new ATOM 0 HB THR A 71 66.366 -6.315 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.380 -7.039 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.033 -7.149 -4.869 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.245 -5.829 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.450 -5.512 -5.254 1.00 0.00 H new ATOM 1075 N VAL A 72 64.607 -3.455 -3.314 1.00 0.00 N ATOM 1076 CA VAL A 72 64.415 -3.040 -1.887 1.00 0.00 C ATOM 1077 C VAL A 72 64.244 -4.273 -0.988 1.00 0.00 C ATOM 1078 O VAL A 72 63.423 -5.135 -1.245 1.00 0.00 O ATOM 1079 CB VAL A 72 63.145 -2.169 -1.885 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.440 -2.250 -0.525 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.532 -0.713 -2.157 1.00 0.00 C ATOM 0 H VAL A 72 63.766 -3.413 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 72 65.274 -2.493 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 72 62.469 -2.533 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.545 -1.628 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.160 -3.284 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.113 -1.896 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 62.636 -0.092 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.214 -0.367 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.022 -0.642 -3.128 1.00 0.00 H new ATOM 1091 N ASP A 73 65.005 -4.347 0.072 1.00 0.00 N ATOM 1092 CA ASP A 73 64.891 -5.508 1.011 1.00 0.00 C ATOM 1093 C ASP A 73 64.102 -5.091 2.266 1.00 0.00 C ATOM 1094 O ASP A 73 63.384 -4.107 2.253 1.00 0.00 O ATOM 1095 CB ASP A 73 66.339 -5.904 1.358 1.00 0.00 C ATOM 1096 CG ASP A 73 67.152 -4.671 1.764 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.022 -4.247 2.901 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.890 -4.174 0.926 1.00 0.00 O ATOM 0 H ASP A 73 65.705 -3.651 0.331 1.00 0.00 H new ATOM 0 HA ASP A 73 64.355 -6.349 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.338 -6.630 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.805 -6.387 0.500 1.00 0.00 H new ATOM 1103 N PHE A 74 64.220 -5.830 3.343 1.00 0.00 N ATOM 1104 CA PHE A 74 63.466 -5.473 4.588 1.00 0.00 C ATOM 1105 C PHE A 74 64.002 -4.167 5.191 1.00 0.00 C ATOM 1106 O PHE A 74 63.254 -3.241 5.444 1.00 0.00 O ATOM 1107 CB PHE A 74 63.693 -6.644 5.552 1.00 0.00 C ATOM 1108 CG PHE A 74 62.783 -6.491 6.749 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.395 -6.572 6.588 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.329 -6.266 8.020 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.553 -6.428 7.695 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.484 -6.122 9.128 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.097 -6.203 8.965 1.00 0.00 C ATOM 0 H PHE A 74 64.804 -6.663 3.415 1.00 0.00 H new ATOM 0 HA PHE A 74 62.407 -5.313 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.493 -7.589 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.734 -6.669 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.974 -6.746 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.400 -6.204 8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.482 -6.490 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.903 -5.948 10.108 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.446 -6.092 9.819 1.00 0.00 H new ATOM 1123 N ASP A 75 65.290 -4.089 5.420 1.00 0.00 N ATOM 1124 CA ASP A 75 65.884 -2.845 6.005 1.00 0.00 C ATOM 1125 C ASP A 75 65.610 -1.639 5.094 1.00 0.00 C ATOM 1126 O ASP A 75 65.255 -0.572 5.558 1.00 0.00 O ATOM 1127 CB ASP A 75 67.384 -3.132 6.097 1.00 0.00 C ATOM 1128 CG ASP A 75 67.697 -3.773 7.450 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.579 -4.983 7.549 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.042 -3.043 8.363 1.00 0.00 O ATOM 0 H ASP A 75 65.958 -4.835 5.227 1.00 0.00 H new ATOM 0 HA ASP A 75 65.457 -2.600 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.689 -3.796 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.950 -2.208 5.980 1.00 0.00 H new ATOM 1135 N GLU A 76 65.762 -1.808 3.802 1.00 0.00 N ATOM 1136 CA GLU A 76 65.497 -0.678 2.856 1.00 0.00 C ATOM 1137 C GLU A 76 64.011 -0.300 2.895 1.00 0.00 C ATOM 1138 O GLU A 76 63.662 0.866 2.912 1.00 0.00 O ATOM 1139 CB GLU A 76 65.879 -1.210 1.476 1.00 0.00 C ATOM 1140 CG GLU A 76 67.041 -0.385 0.913 1.00 0.00 C ATOM 1141 CD GLU A 76 67.839 -1.230 -0.079 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.242 -1.736 -1.010 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.037 -1.360 0.109 1.00 0.00 O ATOM 0 H GLU A 76 66.058 -2.679 3.362 1.00 0.00 H new ATOM 0 HA GLU A 76 66.063 0.217 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 76 66.165 -2.260 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.022 -1.157 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 76 66.660 0.509 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.688 -0.050 1.724 1.00 0.00 H new ATOM 1150 N PHE A 77 63.136 -1.278 2.926 1.00 0.00 N ATOM 1151 CA PHE A 77 61.671 -0.977 2.984 1.00 0.00 C ATOM 1152 C PHE A 77 61.362 -0.152 4.244 1.00 0.00 C ATOM 1153 O PHE A 77 60.546 0.750 4.219 1.00 0.00 O ATOM 1154 CB PHE A 77 60.982 -2.347 3.035 1.00 0.00 C ATOM 1155 CG PHE A 77 59.486 -2.172 3.185 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.787 -1.319 2.322 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.800 -2.865 4.190 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.403 -1.160 2.464 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.418 -2.707 4.331 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.719 -1.853 3.469 1.00 0.00 C ATOM 0 H PHE A 77 63.374 -2.270 2.914 1.00 0.00 H new ATOM 0 HA PHE A 77 61.326 -0.393 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.201 -2.907 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.373 -2.929 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.315 -0.784 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.339 -3.522 4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.864 -0.503 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.889 -3.244 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.652 -1.729 3.580 1.00 0.00 H new ATOM 1170 N LEU A 78 62.029 -0.443 5.340 1.00 0.00 N ATOM 1171 CA LEU A 78 61.796 0.334 6.598 1.00 0.00 C ATOM 1172 C LEU A 78 62.270 1.784 6.413 1.00 0.00 C ATOM 1173 O LEU A 78 61.680 2.707 6.944 1.00 0.00 O ATOM 1174 CB LEU A 78 62.625 -0.378 7.675 1.00 0.00 C ATOM 1175 CG LEU A 78 61.902 -1.654 8.123 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.861 -2.528 8.935 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.695 -1.284 8.990 1.00 0.00 C ATOM 0 H LEU A 78 62.724 -1.186 5.415 1.00 0.00 H new ATOM 0 HA LEU A 78 60.741 0.376 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.612 -0.626 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.777 0.284 8.528 1.00 0.00 H new ATOM 0 HG LEU A 78 61.564 -2.203 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.346 -3.435 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.720 -2.795 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.201 -1.977 9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.183 -2.192 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.033 -0.733 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.009 -0.663 8.413 1.00 0.00 H new ATOM 1189 N VAL A 79 63.321 1.992 5.650 1.00 0.00 N ATOM 1190 CA VAL A 79 63.821 3.384 5.412 1.00 0.00 C ATOM 1191 C VAL A 79 62.760 4.192 4.653 1.00 0.00 C ATOM 1192 O VAL A 79 62.495 5.334 4.973 1.00 0.00 O ATOM 1193 CB VAL A 79 65.092 3.231 4.563 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.536 4.604 4.053 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.213 2.626 5.413 1.00 0.00 C ATOM 0 H VAL A 79 63.852 1.257 5.183 1.00 0.00 H new ATOM 0 HA VAL A 79 64.028 3.911 6.344 1.00 0.00 H new ATOM 0 HB VAL A 79 64.880 2.575 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.438 4.494 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.744 5.040 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.743 5.257 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.112 2.519 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.422 3.280 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.904 1.647 5.779 1.00 0.00 H new ATOM 1205 N MET A 80 62.143 3.600 3.656 1.00 0.00 N ATOM 1206 CA MET A 80 61.086 4.328 2.884 1.00 0.00 C ATOM 1207 C MET A 80 59.936 4.729 3.817 1.00 0.00 C ATOM 1208 O MET A 80 59.328 5.766 3.645 1.00 0.00 O ATOM 1209 CB MET A 80 60.593 3.337 1.824 1.00 0.00 C ATOM 1210 CG MET A 80 61.175 3.710 0.458 1.00 0.00 C ATOM 1211 SD MET A 80 61.845 2.228 -0.339 1.00 0.00 S ATOM 1212 CE MET A 80 60.326 1.242 -0.325 1.00 0.00 C ATOM 0 H MET A 80 62.326 2.646 3.345 1.00 0.00 H new ATOM 0 HA MET A 80 61.469 5.242 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 80 60.892 2.324 2.093 1.00 0.00 H new ATOM 0 HB3 MET A 80 59.504 3.348 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.402 4.155 -0.169 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.959 4.458 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.501 0.312 0.216 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.532 1.804 0.167 1.00 0.00 H new ATOM 0 HE3 MET A 80 60.030 1.016 -1.349 1.00 0.00 H new ATOM 1222 N MET A 81 59.639 3.916 4.805 1.00 0.00 N ATOM 1223 CA MET A 81 58.531 4.251 5.756 1.00 0.00 C ATOM 1224 C MET A 81 58.858 5.542 6.524 1.00 0.00 C ATOM 1225 O MET A 81 58.076 6.475 6.529 1.00 0.00 O ATOM 1226 CB MET A 81 58.435 3.053 6.708 1.00 0.00 C ATOM 1227 CG MET A 81 57.579 1.957 6.067 1.00 0.00 C ATOM 1228 SD MET A 81 55.885 2.557 5.855 1.00 0.00 S ATOM 1229 CE MET A 81 55.456 1.532 4.427 1.00 0.00 C ATOM 0 H MET A 81 60.117 3.035 4.993 1.00 0.00 H new ATOM 0 HA MET A 81 57.587 4.426 5.241 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.431 2.669 6.928 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.997 3.363 7.657 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.998 1.672 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.584 1.065 6.693 1.00 0.00 H new ATOM 0 HE1 MET A 81 54.900 2.129 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.367 1.156 3.962 1.00 0.00 H new ATOM 0 HE3 MET A 81 54.842 0.692 4.753 1.00 0.00 H new ATOM 1239 N VAL A 82 60.009 5.614 7.160 1.00 0.00 N ATOM 1240 CA VAL A 82 60.370 6.867 7.907 1.00 0.00 C ATOM 1241 C VAL A 82 60.574 8.031 6.918 1.00 0.00 C ATOM 1242 O VAL A 82 60.413 9.186 7.267 1.00 0.00 O ATOM 1243 CB VAL A 82 61.664 6.543 8.683 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.901 6.853 7.832 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.710 7.393 9.955 1.00 0.00 C ATOM 0 H VAL A 82 60.705 4.869 7.194 1.00 0.00 H new ATOM 0 HA VAL A 82 59.582 7.178 8.593 1.00 0.00 H new ATOM 0 HB VAL A 82 61.666 5.482 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 82 63.801 6.617 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.877 6.252 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 82 62.905 7.911 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.622 7.170 10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 82 61.698 8.450 9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 82 60.843 7.166 10.576 1.00 0.00 H new ATOM 1255 N ARG A 83 60.904 7.732 5.681 1.00 0.00 N ATOM 1256 CA ARG A 83 61.092 8.813 4.662 1.00 0.00 C ATOM 1257 C ARG A 83 59.720 9.300 4.167 1.00 0.00 C ATOM 1258 O ARG A 83 59.528 10.470 3.889 1.00 0.00 O ATOM 1259 CB ARG A 83 61.880 8.157 3.520 1.00 0.00 C ATOM 1260 CG ARG A 83 63.313 8.700 3.500 1.00 0.00 C ATOM 1261 CD ARG A 83 63.860 8.656 2.070 1.00 0.00 C ATOM 1262 NE ARG A 83 64.632 7.382 1.987 1.00 0.00 N ATOM 1263 CZ ARG A 83 65.920 7.415 1.794 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.391 7.633 0.601 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.733 7.240 2.796 1.00 0.00 N ATOM 0 H ARG A 83 61.051 6.784 5.335 1.00 0.00 H new ATOM 0 HA ARG A 83 61.617 9.680 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.893 7.075 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.392 8.358 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.330 9.723 3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.946 8.108 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.052 8.676 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 83 64.497 9.517 1.865 1.00 0.00 H new ATOM 0 HE ARG A 83 64.152 6.487 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.752 7.778 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 83 67.399 7.659 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.361 7.077 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.741 7.266 2.645 1.00 0.00 H new ATOM 1279 N CYS A 84 58.765 8.405 4.065 1.00 0.00 N ATOM 1280 CA CYS A 84 57.395 8.794 3.601 1.00 0.00 C ATOM 1281 C CYS A 84 56.683 9.644 4.666 1.00 0.00 C ATOM 1282 O CYS A 84 55.850 10.472 4.346 1.00 0.00 O ATOM 1283 CB CYS A 84 56.654 7.470 3.391 1.00 0.00 C ATOM 1284 SG CYS A 84 55.490 7.641 2.017 1.00 0.00 S ATOM 0 H CYS A 84 58.877 7.415 4.285 1.00 0.00 H new ATOM 0 HA CYS A 84 57.429 9.394 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.366 6.672 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.121 7.191 4.300 1.00 0.00 H new ATOM 0 HG CYS A 84 54.803 8.735 2.164 1.00 0.00 H new ATOM 1290 N MET A 85 57.009 9.442 5.926 1.00 0.00 N ATOM 1291 CA MET A 85 56.362 10.233 7.027 1.00 0.00 C ATOM 1292 C MET A 85 56.439 11.740 6.733 1.00 0.00 C ATOM 1293 O MET A 85 55.448 12.440 6.810 1.00 0.00 O ATOM 1294 CB MET A 85 57.172 9.892 8.284 1.00 0.00 C ATOM 1295 CG MET A 85 56.739 8.529 8.827 1.00 0.00 C ATOM 1296 SD MET A 85 57.790 8.082 10.233 1.00 0.00 S ATOM 1297 CE MET A 85 57.646 6.286 10.069 1.00 0.00 C ATOM 0 H MET A 85 57.699 8.759 6.239 1.00 0.00 H new ATOM 0 HA MET A 85 55.305 9.991 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 85 58.236 9.878 8.049 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.023 10.660 9.043 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.694 8.563 9.136 1.00 0.00 H new ATOM 0 HG3 MET A 85 56.816 7.773 8.046 1.00 0.00 H new ATOM 0 HE1 MET A 85 58.501 5.807 10.546 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.727 5.949 10.549 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.623 6.018 9.013 1.00 0.00 H new ATOM 1307 N LYS A 86 57.613 12.231 6.389 1.00 0.00 N ATOM 1308 CA LYS A 86 57.800 13.690 6.073 1.00 0.00 C ATOM 1309 C LYS A 86 57.595 14.565 7.324 1.00 0.00 C ATOM 1310 O LYS A 86 58.530 15.159 7.825 1.00 0.00 O ATOM 1311 CB LYS A 86 56.763 14.023 4.989 1.00 0.00 C ATOM 1312 CG LYS A 86 57.476 14.572 3.747 1.00 0.00 C ATOM 1313 CD LYS A 86 57.048 13.773 2.511 1.00 0.00 C ATOM 1314 CE LYS A 86 58.167 12.805 2.111 1.00 0.00 C ATOM 1315 NZ LYS A 86 57.469 11.574 1.638 1.00 0.00 N ATOM 0 H LYS A 86 58.463 11.672 6.313 1.00 0.00 H new ATOM 0 HA LYS A 86 58.814 13.891 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.194 13.130 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 86 56.051 14.757 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 86 57.233 15.626 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 86 58.556 14.508 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 86 56.133 13.220 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 86 56.827 14.450 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 86 58.793 13.229 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 86 58.820 12.587 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 58.165 10.815 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 56.773 11.274 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 56.982 11.774 0.741 1.00 0.00 H new ATOM 1329 N ASP A 87 56.387 14.652 7.827 1.00 0.00 N ATOM 1330 CA ASP A 87 56.131 15.491 9.039 1.00 0.00 C ATOM 1331 C ASP A 87 55.714 14.609 10.226 1.00 0.00 C ATOM 1332 O ASP A 87 56.420 14.514 11.212 1.00 0.00 O ATOM 1333 CB ASP A 87 54.995 16.435 8.632 1.00 0.00 C ATOM 1334 CG ASP A 87 54.805 17.502 9.711 1.00 0.00 C ATOM 1335 OD1 ASP A 87 55.570 18.452 9.720 1.00 0.00 O ATOM 1336 OD2 ASP A 87 53.896 17.350 10.510 1.00 0.00 O ATOM 0 H ASP A 87 55.567 14.177 7.450 1.00 0.00 H new ATOM 0 HA ASP A 87 57.018 16.038 9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 87 55.225 16.906 7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 87 54.072 15.872 8.496 1.00 0.00 H new ATOM 1341 N ASP A 88 54.576 13.960 10.140 1.00 0.00 N ATOM 1342 CA ASP A 88 54.121 13.084 11.265 1.00 0.00 C ATOM 1343 C ASP A 88 54.620 11.647 11.058 1.00 0.00 C ATOM 1344 O ASP A 88 55.091 11.291 9.994 1.00 0.00 O ATOM 1345 CB ASP A 88 52.589 13.135 11.226 1.00 0.00 C ATOM 1346 CG ASP A 88 52.037 13.044 12.651 1.00 0.00 C ATOM 1347 OD1 ASP A 88 52.011 11.949 13.187 1.00 0.00 O ATOM 1348 OD2 ASP A 88 51.653 14.072 13.182 1.00 0.00 O ATOM 0 H ASP A 88 53.944 14.000 9.340 1.00 0.00 H new ATOM 0 HA ASP A 88 54.511 13.419 12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 88 52.258 14.060 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 88 52.203 12.314 10.622 1.00 0.00 H new ATOM 1353 N SER A 89 54.515 10.822 12.068 1.00 0.00 N ATOM 1354 CA SER A 89 54.980 9.406 11.938 1.00 0.00 C ATOM 1355 C SER A 89 53.793 8.473 11.672 1.00 0.00 C ATOM 1356 O SER A 89 52.821 8.550 12.408 1.00 0.00 O ATOM 1357 CB SER A 89 55.631 9.074 13.281 1.00 0.00 C ATOM 1358 OG SER A 89 56.779 9.894 13.466 1.00 0.00 O ATOM 1359 OXT SER A 89 53.878 7.695 10.736 1.00 0.00 O ATOM 0 H SER A 89 54.127 11.067 12.979 1.00 0.00 H new ATOM 0 HA SER A 89 55.673 9.279 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 89 54.921 9.236 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 89 55.914 8.022 13.310 1.00 0.00 H new ATOM 0 HG SER A 89 57.196 9.683 14.327 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 53.902 8.854 -13.154 1.00 0.00 N ATOM 1367 CA ARG B 144 54.982 9.886 -13.120 1.00 0.00 C ATOM 1368 C ARG B 144 55.583 9.981 -11.713 1.00 0.00 C ATOM 1369 O ARG B 144 56.736 9.664 -11.503 1.00 0.00 O ATOM 1370 CB ARG B 144 54.296 11.202 -13.506 1.00 0.00 C ATOM 1371 CG ARG B 144 55.355 12.272 -13.790 1.00 0.00 C ATOM 1372 CD ARG B 144 54.727 13.399 -14.612 1.00 0.00 C ATOM 1373 NE ARG B 144 55.551 14.605 -14.312 1.00 0.00 N ATOM 1374 CZ ARG B 144 56.311 15.125 -15.234 1.00 0.00 C ATOM 1375 NH1 ARG B 144 57.511 14.659 -15.430 1.00 0.00 N ATOM 1376 NH2 ARG B 144 55.864 16.105 -15.963 1.00 0.00 N ATOM 0 HA ARG B 144 55.801 9.644 -13.797 1.00 0.00 H new ATOM 0 HB2 ARG B 144 53.671 11.053 -14.386 1.00 0.00 H new ATOM 0 HB3 ARG B 144 53.639 11.531 -12.701 1.00 0.00 H new ATOM 0 HG2 ARG B 144 55.751 12.666 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG B 144 56.194 11.835 -14.332 1.00 0.00 H new ATOM 0 HD2 ARG B 144 54.742 13.166 -15.677 1.00 0.00 H new ATOM 0 HD3 ARG B 144 53.684 13.555 -14.335 1.00 0.00 H new ATOM 0 HE ARG B 144 55.520 15.024 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG B 144 57.857 13.886 -14.862 1.00 0.00 H new ATOM 0 HH12 ARG B 144 58.105 15.067 -16.152 1.00 0.00 H new ATOM 0 HH21 ARG B 144 54.921 16.464 -15.812 1.00 0.00 H new ATOM 0 HH22 ARG B 144 56.456 16.514 -16.686 1.00 0.00 H new ATOM 1392 N ARG B 145 54.809 10.421 -10.750 1.00 0.00 N ATOM 1393 CA ARG B 145 55.335 10.543 -9.357 1.00 0.00 C ATOM 1394 C ARG B 145 54.184 10.474 -8.346 1.00 0.00 C ATOM 1395 O ARG B 145 53.174 11.136 -8.497 1.00 0.00 O ATOM 1396 CB ARG B 145 56.010 11.917 -9.315 1.00 0.00 C ATOM 1397 CG ARG B 145 56.777 12.074 -8.000 1.00 0.00 C ATOM 1398 CD ARG B 145 58.241 11.684 -8.213 1.00 0.00 C ATOM 1399 NE ARG B 145 58.742 11.332 -6.853 1.00 0.00 N ATOM 1400 CZ ARG B 145 59.521 12.152 -6.209 1.00 0.00 C ATOM 1401 NH1 ARG B 145 59.009 13.143 -5.536 1.00 0.00 N ATOM 1402 NH2 ARG B 145 60.811 11.976 -6.232 1.00 0.00 N ATOM 0 H ARG B 145 53.835 10.701 -10.870 1.00 0.00 H new ATOM 0 HA ARG B 145 56.025 9.739 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG B 145 56.691 12.025 -10.159 1.00 0.00 H new ATOM 0 HB3 ARG B 145 55.261 12.704 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG B 145 56.711 13.104 -7.649 1.00 0.00 H new ATOM 0 HG3 ARG B 145 56.331 11.446 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG B 145 58.330 10.841 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG B 145 58.811 12.507 -8.644 1.00 0.00 H new ATOM 0 HE ARG B 145 58.473 10.445 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG B 145 57.998 13.276 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG B 145 59.619 13.786 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG B 145 61.210 11.196 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG B 145 61.422 12.618 -5.728 1.00 0.00 H new ATOM 1416 N VAL B 146 54.330 9.679 -7.318 1.00 0.00 N ATOM 1417 CA VAL B 146 53.246 9.565 -6.293 1.00 0.00 C ATOM 1418 C VAL B 146 53.790 9.955 -4.911 1.00 0.00 C ATOM 1419 O VAL B 146 54.948 9.739 -4.609 1.00 0.00 O ATOM 1420 CB VAL B 146 52.822 8.092 -6.319 1.00 0.00 C ATOM 1421 CG1 VAL B 146 51.606 7.893 -5.412 1.00 0.00 C ATOM 1422 CG2 VAL B 146 52.450 7.684 -7.749 1.00 0.00 C ATOM 0 H VAL B 146 55.153 9.103 -7.143 1.00 0.00 H new ATOM 0 HA VAL B 146 52.405 10.226 -6.501 1.00 0.00 H new ATOM 0 HB VAL B 146 53.650 7.477 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL B 146 51.305 6.845 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL B 146 51.863 8.178 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL B 146 50.783 8.513 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL B 146 52.149 6.636 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL B 146 51.624 8.303 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL B 146 53.311 7.822 -8.403 1.00 0.00 H new ATOM 1432 N ARG B 147 52.960 10.532 -4.075 1.00 0.00 N ATOM 1433 CA ARG B 147 53.426 10.947 -2.712 1.00 0.00 C ATOM 1434 C ARG B 147 53.521 9.735 -1.771 1.00 0.00 C ATOM 1435 O ARG B 147 54.502 9.570 -1.072 1.00 0.00 O ATOM 1436 CB ARG B 147 52.366 11.937 -2.203 1.00 0.00 C ATOM 1437 CG ARG B 147 53.022 13.290 -1.898 1.00 0.00 C ATOM 1438 CD ARG B 147 53.961 13.156 -0.693 1.00 0.00 C ATOM 1439 NE ARG B 147 53.069 12.958 0.490 1.00 0.00 N ATOM 1440 CZ ARG B 147 53.584 12.710 1.661 1.00 0.00 C ATOM 1441 NH1 ARG B 147 53.846 11.484 2.012 1.00 0.00 N ATOM 1442 NH2 ARG B 147 53.833 13.690 2.481 1.00 0.00 N ATOM 0 H ARG B 147 51.981 10.734 -4.277 1.00 0.00 H new ATOM 0 HA ARG B 147 54.420 11.393 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG B 147 51.583 12.062 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG B 147 51.889 11.543 -1.306 1.00 0.00 H new ATOM 0 HG2 ARG B 147 53.580 13.638 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG B 147 52.256 14.037 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG B 147 54.641 12.313 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG B 147 54.577 14.047 -0.575 1.00 0.00 H new ATOM 0 HE ARG B 147 52.057 13.017 0.381 1.00 0.00 H new ATOM 0 HH11 ARG B 147 53.648 10.716 1.370 1.00 0.00 H new ATOM 0 HH12 ARG B 147 54.249 11.291 2.929 1.00 0.00 H new ATOM 0 HH21 ARG B 147 53.625 14.650 2.206 1.00 0.00 H new ATOM 0 HH22 ARG B 147 54.236 13.498 3.398 1.00 0.00 H new ATOM 1456 N ILE B 148 52.501 8.899 -1.747 1.00 0.00 N ATOM 1457 CA ILE B 148 52.496 7.689 -0.848 1.00 0.00 C ATOM 1458 C ILE B 148 52.517 8.121 0.629 1.00 0.00 C ATOM 1459 O ILE B 148 52.871 9.237 0.955 1.00 0.00 O ATOM 1460 CB ILE B 148 53.761 6.881 -1.204 1.00 0.00 C ATOM 1461 CG1 ILE B 148 53.790 6.590 -2.712 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.770 5.551 -0.436 1.00 0.00 C ATOM 1463 CD1 ILE B 148 52.499 5.883 -3.135 1.00 0.00 C ATOM 0 H ILE B 148 51.663 9.005 -2.318 1.00 0.00 H new ATOM 0 HA ILE B 148 51.598 7.088 -0.990 1.00 0.00 H new ATOM 0 HB ILE B 148 54.638 7.467 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE B 148 53.903 7.521 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE B 148 54.651 5.967 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE B 148 54.667 4.988 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.762 5.750 0.636 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.887 4.970 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE B 148 52.529 5.681 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE B 148 52.404 4.943 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE B 148 51.644 6.521 -2.910 1.00 0.00 H new ATOM 1475 N SER B 149 52.139 7.246 1.527 1.00 0.00 N ATOM 1476 CA SER B 149 52.143 7.616 2.979 1.00 0.00 C ATOM 1477 C SER B 149 52.306 6.371 3.855 1.00 0.00 C ATOM 1478 O SER B 149 51.795 5.312 3.544 1.00 0.00 O ATOM 1479 CB SER B 149 50.786 8.275 3.233 1.00 0.00 C ATOM 1480 OG SER B 149 50.845 9.012 4.449 1.00 0.00 O ATOM 0 H SER B 149 51.829 6.296 1.321 1.00 0.00 H new ATOM 0 HA SER B 149 52.971 8.281 3.223 1.00 0.00 H new ATOM 0 HB2 SER B 149 50.528 8.936 2.405 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.005 7.517 3.291 1.00 0.00 H new ATOM 0 HG SER B 149 49.978 9.438 4.616 1.00 0.00 H new ATOM 1486 N ALA B 150 53.013 6.494 4.951 1.00 0.00 N ATOM 1487 CA ALA B 150 53.212 5.321 5.861 1.00 0.00 C ATOM 1488 C ALA B 150 51.857 4.746 6.304 1.00 0.00 C ATOM 1489 O ALA B 150 51.665 3.547 6.327 1.00 0.00 O ATOM 1490 CB ALA B 150 53.982 5.875 7.064 1.00 0.00 C ATOM 0 H ALA B 150 53.462 7.357 5.256 1.00 0.00 H new ATOM 0 HA ALA B 150 53.751 4.510 5.371 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.167 5.073 7.778 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.933 6.288 6.728 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.395 6.659 7.542 1.00 0.00 H new ATOM 1496 N ASP B 151 50.919 5.595 6.649 1.00 0.00 N ATOM 1497 CA ASP B 151 49.574 5.101 7.086 1.00 0.00 C ATOM 1498 C ASP B 151 48.802 4.529 5.888 1.00 0.00 C ATOM 1499 O ASP B 151 48.255 3.444 5.956 1.00 0.00 O ATOM 1500 CB ASP B 151 48.862 6.334 7.653 1.00 0.00 C ATOM 1501 CG ASP B 151 49.471 6.699 9.007 1.00 0.00 C ATOM 1502 OD1 ASP B 151 50.463 7.408 9.014 1.00 0.00 O ATOM 1503 OD2 ASP B 151 48.936 6.263 10.012 1.00 0.00 O ATOM 0 H ASP B 151 51.026 6.609 6.647 1.00 0.00 H new ATOM 0 HA ASP B 151 49.647 4.301 7.823 1.00 0.00 H new ATOM 0 HB2 ASP B 151 48.957 7.172 6.962 1.00 0.00 H new ATOM 0 HB3 ASP B 151 47.797 6.132 7.764 1.00 0.00 H new ATOM 1508 N ALA B 152 48.759 5.252 4.794 1.00 0.00 N ATOM 1509 CA ALA B 152 48.027 4.758 3.584 1.00 0.00 C ATOM 1510 C ALA B 152 48.632 3.435 3.087 1.00 0.00 C ATOM 1511 O ALA B 152 47.922 2.480 2.836 1.00 0.00 O ATOM 1512 CB ALA B 152 48.204 5.861 2.537 1.00 0.00 C ATOM 0 H ALA B 152 49.200 6.165 4.687 1.00 0.00 H new ATOM 0 HA ALA B 152 46.976 4.558 3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.695 5.574 1.617 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.778 6.791 2.913 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.266 6.004 2.335 1.00 0.00 H new ATOM 1518 N MET B 153 49.936 3.371 2.952 1.00 0.00 N ATOM 1519 CA MET B 153 50.585 2.106 2.478 1.00 0.00 C ATOM 1520 C MET B 153 50.339 0.975 3.485 1.00 0.00 C ATOM 1521 O MET B 153 50.122 -0.160 3.110 1.00 0.00 O ATOM 1522 CB MET B 153 52.081 2.426 2.371 1.00 0.00 C ATOM 1523 CG MET B 153 52.647 1.817 1.084 1.00 0.00 C ATOM 1524 SD MET B 153 51.932 2.663 -0.349 1.00 0.00 S ATOM 1525 CE MET B 153 53.197 2.197 -1.557 1.00 0.00 C ATOM 0 H MET B 153 50.578 4.139 3.149 1.00 0.00 H new ATOM 0 HA MET B 153 50.181 1.772 1.522 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.233 3.505 2.372 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.611 2.029 3.237 1.00 0.00 H new ATOM 0 HG2 MET B 153 53.733 1.911 1.071 1.00 0.00 H new ATOM 0 HG3 MET B 153 52.419 0.752 1.042 1.00 0.00 H new ATOM 0 HE1 MET B 153 52.947 2.623 -2.529 1.00 0.00 H new ATOM 0 HE2 MET B 153 54.166 2.576 -1.234 1.00 0.00 H new ATOM 0 HE3 MET B 153 53.241 1.111 -1.637 1.00 0.00 H new ATOM 1535 N MET B 154 50.359 1.279 4.762 1.00 0.00 N ATOM 1536 CA MET B 154 50.114 0.222 5.794 1.00 0.00 C ATOM 1537 C MET B 154 48.674 -0.301 5.684 1.00 0.00 C ATOM 1538 O MET B 154 48.433 -1.491 5.754 1.00 0.00 O ATOM 1539 CB MET B 154 50.333 0.919 7.141 1.00 0.00 C ATOM 1540 CG MET B 154 51.768 0.680 7.618 1.00 0.00 C ATOM 1541 SD MET B 154 51.742 -0.271 9.158 1.00 0.00 S ATOM 1542 CE MET B 154 52.529 -1.770 8.517 1.00 0.00 C ATOM 0 H MET B 154 50.534 2.213 5.133 1.00 0.00 H new ATOM 0 HA MET B 154 50.774 -0.636 5.670 1.00 0.00 H new ATOM 0 HB2 MET B 154 50.145 1.988 7.043 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.626 0.538 7.878 1.00 0.00 H new ATOM 0 HG2 MET B 154 52.331 0.142 6.855 1.00 0.00 H new ATOM 0 HG3 MET B 154 52.274 1.633 7.775 1.00 0.00 H new ATOM 0 HE1 MET B 154 52.163 -2.637 9.067 1.00 0.00 H new ATOM 0 HE2 MET B 154 52.289 -1.884 7.460 1.00 0.00 H new ATOM 0 HE3 MET B 154 53.610 -1.693 8.637 1.00 0.00 H new ATOM 1552 N GLN B 155 47.721 0.583 5.501 1.00 0.00 N ATOM 1553 CA GLN B 155 46.291 0.149 5.371 1.00 0.00 C ATOM 1554 C GLN B 155 46.113 -0.734 4.129 1.00 0.00 C ATOM 1555 O GLN B 155 45.427 -1.737 4.163 1.00 0.00 O ATOM 1556 CB GLN B 155 45.491 1.446 5.219 1.00 0.00 C ATOM 1557 CG GLN B 155 44.929 1.871 6.578 1.00 0.00 C ATOM 1558 CD GLN B 155 43.853 2.940 6.375 1.00 0.00 C ATOM 1559 OE1 GLN B 155 44.160 4.089 6.132 1.00 0.00 O ATOM 1560 NE2 GLN B 155 42.596 2.608 6.464 1.00 0.00 N ATOM 0 H GLN B 155 47.872 1.590 5.436 1.00 0.00 H new ATOM 0 HA GLN B 155 45.962 -0.437 6.230 1.00 0.00 H new ATOM 0 HB2 GLN B 155 46.129 2.233 4.817 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.678 1.301 4.508 1.00 0.00 H new ATOM 0 HG2 GLN B 155 44.507 1.009 7.094 1.00 0.00 H new ATOM 0 HG3 GLN B 155 45.729 2.260 7.208 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.337 1.643 6.668 1.00 0.00 H new ATOM 0 HE22 GLN B 155 41.871 3.313 6.330 1.00 0.00 H new ATOM 1569 N ALA B 156 46.732 -0.366 3.034 1.00 0.00 N ATOM 1570 CA ALA B 156 46.609 -1.182 1.786 1.00 0.00 C ATOM 1571 C ALA B 156 47.355 -2.515 1.949 1.00 0.00 C ATOM 1572 O ALA B 156 46.924 -3.540 1.456 1.00 0.00 O ATOM 1573 CB ALA B 156 47.259 -0.332 0.692 1.00 0.00 C ATOM 0 H ALA B 156 47.318 0.465 2.951 1.00 0.00 H new ATOM 0 HA ALA B 156 45.573 -1.425 1.551 1.00 0.00 H new ATOM 0 HB1 ALA B 156 47.209 -0.863 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.730 0.617 0.606 1.00 0.00 H new ATOM 0 HB3 ALA B 156 48.302 -0.144 0.949 1.00 0.00 H new ATOM 1579 N LEU B 157 48.470 -2.499 2.637 1.00 0.00 N ATOM 1580 CA LEU B 157 49.259 -3.753 2.843 1.00 0.00 C ATOM 1581 C LEU B 157 48.524 -4.694 3.810 1.00 0.00 C ATOM 1582 O LEU B 157 48.153 -5.795 3.450 1.00 0.00 O ATOM 1583 CB LEU B 157 50.588 -3.286 3.449 1.00 0.00 C ATOM 1584 CG LEU B 157 51.697 -3.326 2.393 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.315 -2.454 1.192 1.00 0.00 C ATOM 1586 CD2 LEU B 157 52.991 -2.795 3.011 1.00 0.00 C ATOM 0 H LEU B 157 48.870 -1.665 3.068 1.00 0.00 H new ATOM 0 HA LEU B 157 49.404 -4.308 1.916 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.482 -2.273 3.837 1.00 0.00 H new ATOM 0 HB3 LEU B 157 50.855 -3.924 4.291 1.00 0.00 H new ATOM 0 HG LEU B 157 51.835 -4.353 2.055 1.00 0.00 H new ATOM 0 HD11 LEU B 157 52.111 -2.490 0.448 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.390 -2.826 0.752 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.172 -1.425 1.521 1.00 0.00 H new ATOM 0 HD21 LEU B 157 53.787 -2.820 2.266 1.00 0.00 H new ATOM 0 HD22 LEU B 157 52.840 -1.769 3.347 1.00 0.00 H new ATOM 0 HD23 LEU B 157 53.270 -3.417 3.861 1.00 0.00 H new ATOM 1598 N LEU B 158 48.308 -4.269 5.031 1.00 0.00 N ATOM 1599 CA LEU B 158 47.593 -5.140 6.017 1.00 0.00 C ATOM 1600 C LEU B 158 46.181 -4.592 6.274 1.00 0.00 C ATOM 1601 O LEU B 158 45.842 -4.206 7.378 1.00 0.00 O ATOM 1602 CB LEU B 158 48.438 -5.086 7.296 1.00 0.00 C ATOM 1603 CG LEU B 158 49.826 -5.680 7.037 1.00 0.00 C ATOM 1604 CD1 LEU B 158 50.812 -5.124 8.064 1.00 0.00 C ATOM 1605 CD2 LEU B 158 49.768 -7.204 7.169 1.00 0.00 C ATOM 0 H LEU B 158 48.595 -3.358 5.388 1.00 0.00 H new ATOM 0 HA LEU B 158 47.478 -6.162 5.657 1.00 0.00 H new ATOM 0 HB2 LEU B 158 48.533 -4.054 7.635 1.00 0.00 H new ATOM 0 HB3 LEU B 158 47.941 -5.639 8.093 1.00 0.00 H new ATOM 0 HG LEU B 158 50.150 -5.415 6.031 1.00 0.00 H new ATOM 0 HD11 LEU B 158 51.801 -5.544 7.883 1.00 0.00 H new ATOM 0 HD12 LEU B 158 50.857 -4.039 7.975 1.00 0.00 H new ATOM 0 HD13 LEU B 158 50.482 -5.392 9.068 1.00 0.00 H new ATOM 0 HD21 LEU B 158 50.757 -7.623 6.984 1.00 0.00 H new ATOM 0 HD22 LEU B 158 49.443 -7.470 8.175 1.00 0.00 H new ATOM 0 HD23 LEU B 158 49.062 -7.606 6.442 1.00 0.00 H new ATOM 1617 N GLY B 159 45.357 -4.554 5.257 1.00 0.00 N ATOM 1618 CA GLY B 159 43.967 -4.029 5.433 1.00 0.00 C ATOM 1619 C GLY B 159 43.136 -4.298 4.176 1.00 0.00 C ATOM 1620 O GLY B 159 41.992 -4.702 4.265 1.00 0.00 O ATOM 0 H GLY B 159 45.586 -4.864 4.312 1.00 0.00 H new ATOM 0 HA2 GLY B 159 43.498 -4.503 6.296 1.00 0.00 H new ATOM 0 HA3 GLY B 159 43.998 -2.958 5.635 1.00 0.00 H new ATOM 1624 N ALA B 160 43.697 -4.079 3.007 1.00 0.00 N ATOM 1625 CA ALA B 160 42.933 -4.325 1.741 1.00 0.00 C ATOM 1626 C ALA B 160 42.498 -5.798 1.656 1.00 0.00 C ATOM 1627 O ALA B 160 43.265 -6.658 1.262 1.00 0.00 O ATOM 1628 CB ALA B 160 43.905 -3.976 0.611 1.00 0.00 C ATOM 0 H ALA B 160 44.650 -3.741 2.876 1.00 0.00 H new ATOM 0 HA ALA B 160 42.023 -3.728 1.687 1.00 0.00 H new ATOM 0 HB1 ALA B 160 43.416 -4.132 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA B 160 44.207 -2.932 0.700 1.00 0.00 H new ATOM 0 HB3 ALA B 160 44.785 -4.615 0.678 1.00 0.00 H new ATOM 1634 N ARG B 161 41.269 -6.083 2.035 1.00 0.00 N ATOM 1635 CA ARG B 161 40.731 -7.488 2.005 1.00 0.00 C ATOM 1636 C ARG B 161 41.398 -8.360 3.084 1.00 0.00 C ATOM 1637 O ARG B 161 40.735 -8.867 3.970 1.00 0.00 O ATOM 1638 CB ARG B 161 41.026 -8.028 0.599 1.00 0.00 C ATOM 1639 CG ARG B 161 39.971 -9.072 0.224 1.00 0.00 C ATOM 1640 CD ARG B 161 39.727 -9.037 -1.286 1.00 0.00 C ATOM 1641 NE ARG B 161 38.559 -8.126 -1.470 1.00 0.00 N ATOM 1642 CZ ARG B 161 37.346 -8.608 -1.471 1.00 0.00 C ATOM 1643 NH1 ARG B 161 36.845 -9.106 -2.565 1.00 0.00 N ATOM 1644 NH2 ARG B 161 36.640 -8.587 -0.377 1.00 0.00 N ATOM 0 H ARG B 161 40.603 -5.387 2.370 1.00 0.00 H new ATOM 0 HA ARG B 161 39.662 -7.505 2.217 1.00 0.00 H new ATOM 0 HB2 ARG B 161 41.020 -7.213 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG B 161 42.021 -8.473 0.570 1.00 0.00 H new ATOM 0 HG2 ARG B 161 40.304 -10.065 0.526 1.00 0.00 H new ATOM 0 HG3 ARG B 161 39.042 -8.872 0.757 1.00 0.00 H new ATOM 0 HD2 ARG B 161 40.603 -8.667 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG B 161 39.515 -10.033 -1.674 1.00 0.00 H new ATOM 0 HE ARG B 161 38.709 -7.125 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG B 161 37.400 -9.119 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG B 161 35.897 -9.483 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG B 161 37.035 -8.195 0.478 1.00 0.00 H new ATOM 0 HH22 ARG B 161 35.692 -8.963 -0.375 1.00 0.00 H new ATOM 1658 N ALA B 162 42.694 -8.536 3.022 1.00 0.00 N ATOM 1659 CA ALA B 162 43.393 -9.376 4.045 1.00 0.00 C ATOM 1660 C ALA B 162 43.924 -8.502 5.191 1.00 0.00 C ATOM 1661 O ALA B 162 44.027 -7.295 5.069 1.00 0.00 O ATOM 1662 CB ALA B 162 44.551 -10.038 3.290 1.00 0.00 C ATOM 0 H ALA B 162 43.300 -8.134 2.307 1.00 0.00 H new ATOM 0 HA ALA B 162 42.726 -10.110 4.497 1.00 0.00 H new ATOM 0 HB1 ALA B 162 45.115 -10.673 3.973 1.00 0.00 H new ATOM 0 HB2 ALA B 162 44.155 -10.644 2.475 1.00 0.00 H new ATOM 0 HB3 ALA B 162 45.208 -9.269 2.884 1.00 0.00 H new ATOM 1668 N LYS B 163 44.261 -9.106 6.303 1.00 0.00 N ATOM 1669 CA LYS B 163 44.790 -8.319 7.462 1.00 0.00 C ATOM 1670 C LYS B 163 46.147 -8.877 7.914 1.00 0.00 C ATOM 1671 O LYS B 163 46.909 -8.121 8.493 1.00 0.00 O ATOM 1672 CB LYS B 163 43.744 -8.486 8.568 1.00 0.00 C ATOM 1673 CG LYS B 163 42.790 -7.287 8.558 1.00 0.00 C ATOM 1674 CD LYS B 163 41.388 -7.748 8.142 1.00 0.00 C ATOM 1675 CE LYS B 163 40.668 -6.614 7.403 1.00 0.00 C ATOM 1676 NZ LYS B 163 41.160 -6.687 5.997 1.00 0.00 N ATOM 1677 OXT LYS B 163 46.402 -10.049 7.676 1.00 0.00 O ATOM 0 H LYS B 163 44.193 -10.112 6.460 1.00 0.00 H new ATOM 0 HA LYS B 163 44.950 -7.271 7.207 1.00 0.00 H new ATOM 0 HB2 LYS B 163 43.185 -9.410 8.417 1.00 0.00 H new ATOM 0 HB3 LYS B 163 44.235 -8.565 9.538 1.00 0.00 H new ATOM 0 HG2 LYS B 163 42.755 -6.829 9.547 1.00 0.00 H new ATOM 0 HG3 LYS B 163 43.153 -6.526 7.867 1.00 0.00 H new ATOM 0 HD2 LYS B 163 41.459 -8.626 7.500 1.00 0.00 H new ATOM 0 HD3 LYS B 163 40.816 -8.042 9.022 1.00 0.00 H new ATOM 0 HE2 LYS B 163 39.586 -6.739 7.448 1.00 0.00 H new ATOM 0 HE3 LYS B 163 40.896 -5.646 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 40.994 -5.776 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 42.179 -6.897 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 40.651 -7.439 5.490 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.142 -3.467 -1.560 1.00 0.00 CA HETATM 1693 OAA SXK A 91 59.307 10.257 -3.857 1.00 20.00 O HETATM 1694 OAB SXK A 91 60.344 12.107 -3.197 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.521 2.546 0.427 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.563 8.003 -1.869 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.955 7.783 0.157 1.00 20.00 C HETATM 1698 CAH SXK A 91 57.259 6.625 -1.814 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.656 6.405 0.219 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.833 3.929 0.398 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.559 2.233 -1.763 1.00 20.00 C HETATM 1702 CAL SXK A 91 59.888 10.476 -1.528 1.00 20.00 C HETATM 1703 OAM SXK A 91 58.633 9.930 -1.048 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.840 10.984 -2.980 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.888 1.720 -0.651 1.00 20.00 C HETATM 1706 CAP SXK A 91 58.411 8.581 -0.880 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.875 3.608 -1.805 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.807 5.825 -0.769 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.506 4.453 -0.721 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.581 0.395 -0.604 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.534 4.080 -2.908 1.00 20.00 F HETATM 0 HOAB SXK A 91 60.959 12.336 -2.469 1.00 20.00 H new HETATM 0 HALA SXK A 91 60.187 11.298 -0.877 1.00 20.00 H new HETATM 0 HAL SXK A 91 60.659 9.710 -1.448 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.836 1.579 -2.590 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.556 4.576 1.230 1.00 20.00 H new HETATM 0 HAI SXK A 91 59.071 5.789 1.016 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.610 6.176 -2.566 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.605 8.234 0.907 1.00 20.00 H new HETATM 0 HAF SXK A 91 57.150 8.623 -2.665 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.997 2.123 1.284 1.00 20.00 H new