USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 MET CE :methyl 160:sc= -0.204 (180deg=-0.855) USER MOD Set 1.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 153 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot -155:sc= -0.735! USER MOD Set 3.2: A 16 GLN : amide:sc= 0.714 K(o=-0.02,f=-3.5) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0.494 (180deg=0.483) USER MOD Single : A 11 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.55) USER MOD Single : A 17 LYS NZ :NH3+ 138:sc= 1.49 (180deg=-0.0637) USER MOD Single : A 18 ASN : amide:sc= 0.303 X(o=0.3,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 0.00615 (180deg=-0.402!) USER MOD Single : A 35 CYS SG : rot 174:sc= 0.0222 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= 0.38 (180deg=-0.524) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 0.0951 (180deg=-0.0617) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.944 K(o=-0.94,f=-4.8!) USER MOD Single : A 60 MET CE :methyl -128:sc= -2.78! (180deg=-3.22!) USER MOD Single : A 69 SER OG : rot -66:sc= 0.0939 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -172:sc= 0 (180deg=-0.0115) USER MOD Single : B 149 SER OG : rot -76:sc= 0.654 USER MOD Single : B 154 MET CE :methyl 135:sc= -0.457 (180deg=-1.22) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 70.944 8.984 12.413 1.00 0.00 N ATOM 45 CA ILE A 4 69.470 9.159 12.627 1.00 0.00 C ATOM 46 C ILE A 4 68.688 8.150 11.773 1.00 0.00 C ATOM 47 O ILE A 4 67.819 7.457 12.264 1.00 0.00 O ATOM 48 CB ILE A 4 69.164 10.602 12.196 1.00 0.00 C ATOM 49 CG1 ILE A 4 69.841 11.575 13.168 1.00 0.00 C ATOM 50 CG2 ILE A 4 67.651 10.845 12.218 1.00 0.00 C ATOM 51 CD1 ILE A 4 70.315 12.819 12.409 1.00 0.00 C ATOM 0 HA ILE A 4 69.180 8.984 13.663 1.00 0.00 H new ATOM 0 HB ILE A 4 69.541 10.760 11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 4 69.144 11.861 13.955 1.00 0.00 H new ATOM 0 HG13 ILE A 4 70.687 11.089 13.653 1.00 0.00 H new ATOM 0 HG21 ILE A 4 67.443 11.870 11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.162 10.154 11.532 1.00 0.00 H new ATOM 0 HG23 ILE A 4 67.271 10.684 13.227 1.00 0.00 H new ATOM 0 HD11 ILE A 4 70.796 13.508 13.104 1.00 0.00 H new ATOM 0 HD12 ILE A 4 71.027 12.525 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 4 69.460 13.310 11.945 1.00 0.00 H new ATOM 63 N TYR A 5 68.995 8.057 10.501 1.00 0.00 N ATOM 64 CA TYR A 5 68.267 7.085 9.622 1.00 0.00 C ATOM 65 C TYR A 5 68.456 5.648 10.130 1.00 0.00 C ATOM 66 O TYR A 5 67.549 4.839 10.064 1.00 0.00 O ATOM 67 CB TYR A 5 68.880 7.254 8.227 1.00 0.00 C ATOM 68 CG TYR A 5 68.144 8.348 7.489 1.00 0.00 C ATOM 69 CD1 TYR A 5 66.808 8.162 7.114 1.00 0.00 C ATOM 70 CD2 TYR A 5 68.794 9.550 7.186 1.00 0.00 C ATOM 71 CE1 TYR A 5 66.123 9.178 6.438 1.00 0.00 C ATOM 72 CE2 TYR A 5 68.108 10.565 6.508 1.00 0.00 C ATOM 73 CZ TYR A 5 66.773 10.379 6.135 1.00 0.00 C ATOM 74 OH TYR A 5 66.096 11.380 5.469 1.00 0.00 O ATOM 0 H TYR A 5 69.715 8.609 10.034 1.00 0.00 H new ATOM 0 HA TYR A 5 67.193 7.273 9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 5 69.938 7.503 8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 5 68.815 6.318 7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 5 66.306 7.234 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 5 69.824 9.695 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 5 65.092 9.035 6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 5 68.610 11.492 6.273 1.00 0.00 H new ATOM 0 HH TYR A 5 66.692 12.147 5.338 1.00 0.00 H new ATOM 84 N LYS A 6 69.620 5.324 10.642 1.00 0.00 N ATOM 85 CA LYS A 6 69.852 3.940 11.156 1.00 0.00 C ATOM 86 C LYS A 6 69.244 3.780 12.557 1.00 0.00 C ATOM 87 O LYS A 6 68.568 2.809 12.834 1.00 0.00 O ATOM 88 CB LYS A 6 71.370 3.768 11.206 1.00 0.00 C ATOM 89 CG LYS A 6 71.695 2.332 11.631 1.00 0.00 C ATOM 90 CD LYS A 6 73.212 2.106 11.623 1.00 0.00 C ATOM 91 CE LYS A 6 73.905 3.107 12.562 1.00 0.00 C ATOM 92 NZ LYS A 6 73.625 2.621 13.946 1.00 0.00 N ATOM 0 H LYS A 6 70.416 5.957 10.725 1.00 0.00 H new ATOM 0 HA LYS A 6 69.384 3.189 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.805 3.979 10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.806 4.477 11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 71.297 2.141 12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 6 71.212 1.627 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.436 1.087 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.598 2.220 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 6 74.977 3.146 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.517 4.115 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.126 3.221 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.602 2.665 14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 73.952 1.638 14.042 1.00 0.00 H new ATOM 106 N ALA A 7 69.478 4.725 13.437 1.00 0.00 N ATOM 107 CA ALA A 7 68.911 4.630 14.820 1.00 0.00 C ATOM 108 C ALA A 7 67.383 4.487 14.761 1.00 0.00 C ATOM 109 O ALA A 7 66.812 3.640 15.420 1.00 0.00 O ATOM 110 CB ALA A 7 69.306 5.936 15.512 1.00 0.00 C ATOM 0 H ALA A 7 70.038 5.558 13.257 1.00 0.00 H new ATOM 0 HA ALA A 7 69.289 3.760 15.358 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.923 5.937 16.533 1.00 0.00 H new ATOM 0 HB2 ALA A 7 70.392 6.023 15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.884 6.779 14.965 1.00 0.00 H new ATOM 116 N ALA A 8 66.719 5.296 13.967 1.00 0.00 N ATOM 117 CA ALA A 8 65.229 5.184 13.858 1.00 0.00 C ATOM 118 C ALA A 8 64.853 3.769 13.394 1.00 0.00 C ATOM 119 O ALA A 8 63.953 3.152 13.926 1.00 0.00 O ATOM 120 CB ALA A 8 64.816 6.226 12.810 1.00 0.00 C ATOM 0 H ALA A 8 67.143 6.025 13.393 1.00 0.00 H new ATOM 0 HA ALA A 8 64.728 5.359 14.810 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.734 6.200 12.678 1.00 0.00 H new ATOM 0 HB2 ALA A 8 65.117 7.218 13.145 1.00 0.00 H new ATOM 0 HB3 ALA A 8 65.303 6.000 11.861 1.00 0.00 H new ATOM 126 N VAL A 9 65.553 3.255 12.413 1.00 0.00 N ATOM 127 CA VAL A 9 65.264 1.877 11.905 1.00 0.00 C ATOM 128 C VAL A 9 65.609 0.823 12.976 1.00 0.00 C ATOM 129 O VAL A 9 64.891 -0.143 13.160 1.00 0.00 O ATOM 130 CB VAL A 9 66.168 1.726 10.669 1.00 0.00 C ATOM 131 CG1 VAL A 9 66.361 0.247 10.316 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.524 2.446 9.482 1.00 0.00 C ATOM 0 H VAL A 9 66.318 3.734 11.939 1.00 0.00 H new ATOM 0 HA VAL A 9 64.211 1.731 11.663 1.00 0.00 H new ATOM 0 HB VAL A 9 67.141 2.163 10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 9 67.003 0.163 9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.824 -0.270 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 9 65.393 -0.205 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 9 66.161 2.342 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 9 64.548 2.007 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 9 65.404 3.503 9.719 1.00 0.00 H new ATOM 142 N GLU A 10 66.709 1.000 13.670 1.00 0.00 N ATOM 143 CA GLU A 10 67.121 0.011 14.720 1.00 0.00 C ATOM 144 C GLU A 10 66.158 0.022 15.915 1.00 0.00 C ATOM 145 O GLU A 10 65.794 -1.017 16.431 1.00 0.00 O ATOM 146 CB GLU A 10 68.510 0.464 15.175 1.00 0.00 C ATOM 147 CG GLU A 10 69.560 0.043 14.142 1.00 0.00 C ATOM 148 CD GLU A 10 70.924 0.634 14.515 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.975 1.806 14.857 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.900 -0.093 14.444 1.00 0.00 O ATOM 0 H GLU A 10 67.343 1.791 13.554 1.00 0.00 H new ATOM 0 HA GLU A 10 67.115 -1.004 14.323 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.526 1.546 15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.745 0.026 16.145 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.625 -1.044 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.265 0.385 13.150 1.00 0.00 H new ATOM 157 N GLN A 11 65.762 1.183 16.371 1.00 0.00 N ATOM 158 CA GLN A 11 64.845 1.249 17.551 1.00 0.00 C ATOM 159 C GLN A 11 63.375 1.138 17.116 1.00 0.00 C ATOM 160 O GLN A 11 62.780 0.081 17.220 1.00 0.00 O ATOM 161 CB GLN A 11 65.134 2.605 18.208 1.00 0.00 C ATOM 162 CG GLN A 11 66.262 2.447 19.237 1.00 0.00 C ATOM 163 CD GLN A 11 67.582 2.138 18.524 1.00 0.00 C ATOM 164 OE1 GLN A 11 68.108 1.051 18.639 1.00 0.00 O ATOM 165 NE2 GLN A 11 68.145 3.055 17.788 1.00 0.00 N ATOM 0 H GLN A 11 66.032 2.085 15.980 1.00 0.00 H new ATOM 0 HA GLN A 11 65.012 0.424 18.243 1.00 0.00 H new ATOM 0 HB2 GLN A 11 65.419 3.335 17.450 1.00 0.00 H new ATOM 0 HB3 GLN A 11 64.235 2.984 18.694 1.00 0.00 H new ATOM 0 HG2 GLN A 11 66.361 3.360 19.823 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.020 1.645 19.934 1.00 0.00 H new ATOM 0 HE21 GLN A 11 67.706 3.970 17.689 1.00 0.00 H new ATOM 0 HE22 GLN A 11 69.025 2.857 17.311 1.00 0.00 H new ATOM 174 N LEU A 12 62.783 2.218 16.644 1.00 0.00 N ATOM 175 CA LEU A 12 61.340 2.183 16.220 1.00 0.00 C ATOM 176 C LEU A 12 60.458 1.723 17.394 1.00 0.00 C ATOM 177 O LEU A 12 60.909 1.644 18.522 1.00 0.00 O ATOM 178 CB LEU A 12 61.273 1.176 15.058 1.00 0.00 C ATOM 179 CG LEU A 12 61.126 1.913 13.723 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.986 0.890 12.593 1.00 0.00 C ATOM 181 CD2 LEU A 12 59.881 2.805 13.752 1.00 0.00 C ATOM 0 H LEU A 12 63.239 3.124 16.534 1.00 0.00 H new ATOM 0 HA LEU A 12 60.978 3.165 15.914 1.00 0.00 H new ATOM 0 HB2 LEU A 12 62.175 0.564 15.046 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.431 0.499 15.202 1.00 0.00 H new ATOM 0 HG LEU A 12 62.008 2.532 13.557 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.881 1.411 11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 61.872 0.256 12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.105 0.273 12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.784 3.325 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 12 58.997 2.190 13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.975 3.535 14.556 1.00 0.00 H new ATOM 193 N THR A 13 59.209 1.413 17.146 1.00 0.00 N ATOM 194 CA THR A 13 58.323 0.948 18.262 1.00 0.00 C ATOM 195 C THR A 13 57.795 -0.451 17.963 1.00 0.00 C ATOM 196 O THR A 13 57.787 -0.892 16.829 1.00 0.00 O ATOM 197 CB THR A 13 57.172 1.957 18.340 1.00 0.00 C ATOM 198 OG1 THR A 13 56.496 2.004 17.093 1.00 0.00 O ATOM 199 CG2 THR A 13 57.724 3.343 18.682 1.00 0.00 C ATOM 0 H THR A 13 58.766 1.461 16.228 1.00 0.00 H new ATOM 0 HA THR A 13 58.861 0.894 19.208 1.00 0.00 H new ATOM 0 HB THR A 13 56.473 1.648 19.117 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.056 2.874 16.992 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.903 4.058 18.737 1.00 0.00 H new ATOM 0 HG22 THR A 13 58.236 3.304 19.644 1.00 0.00 H new ATOM 0 HG23 THR A 13 58.427 3.656 17.910 1.00 0.00 H new ATOM 207 N GLU A 14 57.362 -1.153 18.979 1.00 0.00 N ATOM 208 CA GLU A 14 56.837 -2.535 18.770 1.00 0.00 C ATOM 209 C GLU A 14 55.744 -2.536 17.692 1.00 0.00 C ATOM 210 O GLU A 14 55.708 -3.396 16.833 1.00 0.00 O ATOM 211 CB GLU A 14 56.256 -2.953 20.126 1.00 0.00 C ATOM 212 CG GLU A 14 55.902 -4.446 20.100 1.00 0.00 C ATOM 213 CD GLU A 14 54.381 -4.620 20.150 1.00 0.00 C ATOM 214 OE1 GLU A 14 53.740 -4.360 19.145 1.00 0.00 O ATOM 215 OE2 GLU A 14 53.886 -5.015 21.191 1.00 0.00 O ATOM 0 H GLU A 14 57.350 -0.828 19.946 1.00 0.00 H new ATOM 0 HA GLU A 14 57.614 -3.221 18.431 1.00 0.00 H new ATOM 0 HB2 GLU A 14 56.978 -2.754 20.918 1.00 0.00 H new ATOM 0 HB3 GLU A 14 55.367 -2.363 20.349 1.00 0.00 H new ATOM 0 HG2 GLU A 14 56.300 -4.908 19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 14 56.363 -4.953 20.947 1.00 0.00 H new ATOM 222 N GLU A 15 54.860 -1.573 17.734 1.00 0.00 N ATOM 223 CA GLU A 15 53.762 -1.502 16.721 1.00 0.00 C ATOM 224 C GLU A 15 54.342 -1.241 15.324 1.00 0.00 C ATOM 225 O GLU A 15 54.155 -2.024 14.416 1.00 0.00 O ATOM 226 CB GLU A 15 52.864 -0.331 17.156 1.00 0.00 C ATOM 227 CG GLU A 15 52.519 -0.442 18.648 1.00 0.00 C ATOM 228 CD GLU A 15 53.304 0.611 19.436 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.413 0.308 19.848 1.00 0.00 O ATOM 230 OE2 GLU A 15 52.787 1.703 19.608 1.00 0.00 O ATOM 0 H GLU A 15 54.851 -0.828 18.430 1.00 0.00 H new ATOM 0 HA GLU A 15 53.203 -2.436 16.668 1.00 0.00 H new ATOM 0 HB2 GLU A 15 53.371 0.615 16.963 1.00 0.00 H new ATOM 0 HB3 GLU A 15 51.949 -0.328 16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 51.449 -0.298 18.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 52.760 -1.440 19.014 1.00 0.00 H new ATOM 237 N GLN A 16 55.045 -0.146 15.148 1.00 0.00 N ATOM 238 CA GLN A 16 55.635 0.172 13.805 1.00 0.00 C ATOM 239 C GLN A 16 56.418 -1.017 13.248 1.00 0.00 C ATOM 240 O GLN A 16 56.190 -1.457 12.138 1.00 0.00 O ATOM 241 CB GLN A 16 56.559 1.372 14.038 1.00 0.00 C ATOM 242 CG GLN A 16 55.823 2.660 13.654 1.00 0.00 C ATOM 243 CD GLN A 16 56.119 3.759 14.675 1.00 0.00 C ATOM 244 OE1 GLN A 16 55.389 3.929 15.630 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.159 4.526 14.508 1.00 0.00 N ATOM 0 H GLN A 16 55.236 0.542 15.876 1.00 0.00 H new ATOM 0 HA GLN A 16 54.859 0.394 13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 16 56.865 1.412 15.083 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.467 1.267 13.444 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.133 2.983 12.660 1.00 0.00 H new ATOM 0 HG3 GLN A 16 54.750 2.475 13.608 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.773 4.385 13.706 1.00 0.00 H new ATOM 0 HE22 GLN A 16 57.359 5.268 15.179 1.00 0.00 H new ATOM 254 N LYS A 17 57.326 -1.534 14.015 1.00 0.00 N ATOM 255 CA LYS A 17 58.140 -2.706 13.550 1.00 0.00 C ATOM 256 C LYS A 17 57.229 -3.890 13.185 1.00 0.00 C ATOM 257 O LYS A 17 57.449 -4.559 12.194 1.00 0.00 O ATOM 258 CB LYS A 17 59.055 -3.064 14.727 1.00 0.00 C ATOM 259 CG LYS A 17 60.520 -2.944 14.293 1.00 0.00 C ATOM 260 CD LYS A 17 61.427 -3.012 15.525 1.00 0.00 C ATOM 261 CE LYS A 17 62.876 -3.254 15.086 1.00 0.00 C ATOM 262 NZ LYS A 17 63.537 -1.919 15.168 1.00 0.00 N ATOM 0 H LYS A 17 57.549 -1.200 14.953 1.00 0.00 H new ATOM 0 HA LYS A 17 58.714 -2.469 12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 17 58.859 -2.400 15.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 58.848 -4.079 15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.771 -3.746 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.678 -2.004 13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.358 -2.083 16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.098 -3.813 16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.369 -3.978 15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.919 -3.653 14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.485 -2.026 15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.620 -1.513 14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.968 -1.286 15.765 1.00 0.00 H new ATOM 276 N ASN A 18 56.207 -4.147 13.967 1.00 0.00 N ATOM 277 CA ASN A 18 55.281 -5.285 13.652 1.00 0.00 C ATOM 278 C ASN A 18 54.431 -4.951 12.418 1.00 0.00 C ATOM 279 O ASN A 18 54.316 -5.745 11.504 1.00 0.00 O ATOM 280 CB ASN A 18 54.387 -5.441 14.888 1.00 0.00 C ATOM 281 CG ASN A 18 55.003 -6.465 15.844 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.308 -7.573 15.452 1.00 0.00 O ATOM 283 ND2 ASN A 18 55.197 -6.143 17.092 1.00 0.00 N ATOM 0 H ASN A 18 55.973 -3.620 14.808 1.00 0.00 H new ATOM 0 HA ASN A 18 55.826 -6.202 13.429 1.00 0.00 H new ATOM 0 HB2 ASN A 18 54.275 -4.481 15.391 1.00 0.00 H new ATOM 0 HB3 ASN A 18 53.389 -5.762 14.589 1.00 0.00 H new ATOM 0 HD21 ASN A 18 55.604 -6.821 17.736 1.00 0.00 H new ATOM 0 HD22 ASN A 18 54.942 -5.213 17.424 1.00 0.00 H new ATOM 290 N GLU A 19 53.838 -3.780 12.391 1.00 0.00 N ATOM 291 CA GLU A 19 52.994 -3.379 11.224 1.00 0.00 C ATOM 292 C GLU A 19 53.823 -3.394 9.933 1.00 0.00 C ATOM 293 O GLU A 19 53.395 -3.918 8.922 1.00 0.00 O ATOM 294 CB GLU A 19 52.524 -1.958 11.547 1.00 0.00 C ATOM 295 CG GLU A 19 51.145 -2.011 12.213 1.00 0.00 C ATOM 296 CD GLU A 19 51.299 -2.202 13.724 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.472 -3.335 14.146 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.236 -1.213 14.435 1.00 0.00 O ATOM 0 H GLU A 19 53.904 -3.083 13.132 1.00 0.00 H new ATOM 0 HA GLU A 19 52.158 -4.060 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.240 -1.469 12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.476 -1.364 10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 19 50.598 -1.091 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.560 -2.829 11.793 1.00 0.00 H new ATOM 305 N PHE A 20 55.009 -2.832 9.960 1.00 0.00 N ATOM 306 CA PHE A 20 55.866 -2.826 8.731 1.00 0.00 C ATOM 307 C PHE A 20 56.253 -4.262 8.354 1.00 0.00 C ATOM 308 O PHE A 20 56.289 -4.610 7.189 1.00 0.00 O ATOM 309 CB PHE A 20 57.110 -2.001 9.090 1.00 0.00 C ATOM 310 CG PHE A 20 56.741 -0.541 9.281 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.621 0.006 8.632 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.525 0.266 10.115 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.291 1.353 8.822 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.193 1.613 10.303 1.00 0.00 C ATOM 315 CZ PHE A 20 56.077 2.156 9.657 1.00 0.00 C ATOM 0 H PHE A 20 55.419 -2.379 10.777 1.00 0.00 H new ATOM 0 HA PHE A 20 55.346 -2.399 7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.562 -2.391 10.002 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.856 -2.094 8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.015 -0.613 7.987 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.387 -0.151 10.614 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.430 1.773 8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.799 2.233 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.822 3.195 9.803 1.00 0.00 H new ATOM 325 N LYS A 21 56.520 -5.103 9.328 1.00 0.00 N ATOM 326 CA LYS A 21 56.876 -6.527 9.019 1.00 0.00 C ATOM 327 C LYS A 21 55.682 -7.210 8.329 1.00 0.00 C ATOM 328 O LYS A 21 55.850 -8.008 7.426 1.00 0.00 O ATOM 329 CB LYS A 21 57.217 -7.167 10.386 1.00 0.00 C ATOM 330 CG LYS A 21 56.250 -8.311 10.736 1.00 0.00 C ATOM 331 CD LYS A 21 56.703 -9.600 10.043 1.00 0.00 C ATOM 332 CE LYS A 21 55.481 -10.457 9.698 1.00 0.00 C ATOM 333 NZ LYS A 21 56.034 -11.678 9.040 1.00 0.00 N ATOM 0 H LYS A 21 56.507 -4.866 10.320 1.00 0.00 H new ATOM 0 HA LYS A 21 57.720 -6.625 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.238 -7.547 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.177 -6.405 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.221 -8.458 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.238 -8.054 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 21 57.259 -9.361 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 57.378 -10.156 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 21 54.915 -10.714 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 21 54.801 -9.924 9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 55.272 -12.178 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 56.772 -11.402 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 56.444 -12.306 9.761 1.00 0.00 H new ATOM 347 N ALA A 22 54.477 -6.879 8.737 1.00 0.00 N ATOM 348 CA ALA A 22 53.268 -7.480 8.098 1.00 0.00 C ATOM 349 C ALA A 22 53.119 -6.931 6.674 1.00 0.00 C ATOM 350 O ALA A 22 52.958 -7.675 5.726 1.00 0.00 O ATOM 351 CB ALA A 22 52.091 -7.041 8.973 1.00 0.00 C ATOM 0 H ALA A 22 54.282 -6.216 9.487 1.00 0.00 H new ATOM 0 HA ALA A 22 53.327 -8.566 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.164 -7.445 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.234 -7.412 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.036 -5.953 8.989 1.00 0.00 H new ATOM 357 N ALA A 23 53.192 -5.629 6.524 1.00 0.00 N ATOM 358 CA ALA A 23 53.077 -5.015 5.165 1.00 0.00 C ATOM 359 C ALA A 23 54.222 -5.510 4.271 1.00 0.00 C ATOM 360 O ALA A 23 54.024 -5.823 3.113 1.00 0.00 O ATOM 361 CB ALA A 23 53.192 -3.505 5.402 1.00 0.00 C ATOM 0 H ALA A 23 53.327 -4.965 7.287 1.00 0.00 H new ATOM 0 HA ALA A 23 52.144 -5.277 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.117 -2.980 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.388 -3.178 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.153 -3.281 5.865 1.00 0.00 H new ATOM 367 N PHE A 24 55.415 -5.591 4.813 1.00 0.00 N ATOM 368 CA PHE A 24 56.588 -6.073 4.016 1.00 0.00 C ATOM 369 C PHE A 24 56.352 -7.514 3.541 1.00 0.00 C ATOM 370 O PHE A 24 56.586 -7.837 2.393 1.00 0.00 O ATOM 371 CB PHE A 24 57.771 -6.011 4.989 1.00 0.00 C ATOM 372 CG PHE A 24 59.028 -6.504 4.309 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.791 -5.631 3.526 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.432 -7.836 4.465 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.955 -6.088 2.898 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.597 -8.292 3.837 1.00 0.00 C ATOM 377 CZ PHE A 24 61.358 -7.417 3.053 1.00 0.00 C ATOM 0 H PHE A 24 55.627 -5.342 5.779 1.00 0.00 H new ATOM 0 HA PHE A 24 56.760 -5.473 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.913 -4.988 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.561 -6.620 5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.481 -4.603 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.845 -8.511 5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.542 -5.413 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.909 -9.319 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.256 -7.769 2.568 1.00 0.00 H new ATOM 387 N ASP A 25 55.888 -8.374 4.418 1.00 0.00 N ATOM 388 CA ASP A 25 55.629 -9.798 4.030 1.00 0.00 C ATOM 389 C ASP A 25 54.714 -9.862 2.799 1.00 0.00 C ATOM 390 O ASP A 25 55.025 -10.517 1.823 1.00 0.00 O ATOM 391 CB ASP A 25 54.938 -10.425 5.248 1.00 0.00 C ATOM 392 CG ASP A 25 55.936 -11.288 6.022 1.00 0.00 C ATOM 393 OD1 ASP A 25 56.926 -10.747 6.488 1.00 0.00 O ATOM 394 OD2 ASP A 25 55.688 -12.475 6.147 1.00 0.00 O ATOM 0 H ASP A 25 55.677 -8.149 5.390 1.00 0.00 H new ATOM 0 HA ASP A 25 56.547 -10.323 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.541 -9.643 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.092 -11.032 4.925 1.00 0.00 H new ATOM 399 N ILE A 26 53.593 -9.181 2.832 1.00 0.00 N ATOM 400 CA ILE A 26 52.667 -9.199 1.654 1.00 0.00 C ATOM 401 C ILE A 26 53.300 -8.447 0.471 1.00 0.00 C ATOM 402 O ILE A 26 53.076 -8.784 -0.676 1.00 0.00 O ATOM 403 CB ILE A 26 51.381 -8.506 2.134 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.576 -9.477 3.007 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.524 -8.094 0.933 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.220 -8.806 4.335 1.00 0.00 C ATOM 0 H ILE A 26 53.280 -8.615 3.621 1.00 0.00 H new ATOM 0 HA ILE A 26 52.462 -10.211 1.304 1.00 0.00 H new ATOM 0 HB ILE A 26 51.651 -7.619 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.667 -9.780 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.155 -10.382 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.616 -7.604 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.087 -7.405 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.258 -8.979 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.648 -9.500 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.135 -8.525 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.623 -7.914 4.144 1.00 0.00 H new ATOM 418 N PHE A 27 54.098 -7.438 0.739 1.00 0.00 N ATOM 419 CA PHE A 27 54.749 -6.679 -0.375 1.00 0.00 C ATOM 420 C PHE A 27 55.764 -7.571 -1.104 1.00 0.00 C ATOM 421 O PHE A 27 55.820 -7.583 -2.319 1.00 0.00 O ATOM 422 CB PHE A 27 55.453 -5.488 0.287 1.00 0.00 C ATOM 423 CG PHE A 27 54.843 -4.200 -0.215 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.997 -3.828 -1.557 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.126 -3.377 0.661 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.433 -2.636 -2.021 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.562 -2.182 0.195 1.00 0.00 C ATOM 428 CZ PHE A 27 53.716 -1.813 -1.146 1.00 0.00 C ATOM 0 H PHE A 27 54.325 -7.110 1.678 1.00 0.00 H new ATOM 0 HA PHE A 27 54.023 -6.349 -1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.356 -5.551 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.519 -5.510 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.551 -4.462 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.007 -3.663 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.551 -2.350 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.009 -1.546 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.281 -0.892 -1.506 1.00 0.00 H new ATOM 438 N VAL A 28 56.557 -8.327 -0.379 1.00 0.00 N ATOM 439 CA VAL A 28 57.553 -9.225 -1.055 1.00 0.00 C ATOM 440 C VAL A 28 56.876 -10.525 -1.515 1.00 0.00 C ATOM 441 O VAL A 28 57.403 -11.240 -2.346 1.00 0.00 O ATOM 442 CB VAL A 28 58.654 -9.522 -0.023 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.200 -8.211 0.548 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.092 -10.381 1.115 1.00 0.00 C ATOM 0 H VAL A 28 56.559 -8.362 0.640 1.00 0.00 H new ATOM 0 HA VAL A 28 57.972 -8.749 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 28 59.460 -10.065 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.979 -8.429 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.617 -7.608 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.393 -7.661 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.880 -10.585 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.277 -9.848 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.718 -11.322 0.710 1.00 0.00 H new ATOM 454 N LEU A 29 55.706 -10.831 -0.997 1.00 0.00 N ATOM 455 CA LEU A 29 54.998 -12.069 -1.427 1.00 0.00 C ATOM 456 C LEU A 29 54.715 -11.966 -2.935 1.00 0.00 C ATOM 457 O LEU A 29 54.045 -11.058 -3.393 1.00 0.00 O ATOM 458 CB LEU A 29 53.714 -12.096 -0.578 1.00 0.00 C ATOM 459 CG LEU A 29 52.553 -12.711 -1.362 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.846 -14.182 -1.663 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.272 -12.611 -0.532 1.00 0.00 C ATOM 0 H LEU A 29 55.217 -10.274 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 29 55.565 -12.988 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.887 -12.670 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.455 -11.083 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 29 52.430 -12.171 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 29 52.014 -14.612 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 29 53.758 -14.258 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 52.975 -14.726 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.443 -13.048 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.404 -13.150 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.055 -11.564 -0.322 1.00 0.00 H new ATOM 473 N GLY A 30 55.260 -12.870 -3.707 1.00 0.00 N ATOM 474 CA GLY A 30 55.068 -12.819 -5.190 1.00 0.00 C ATOM 475 C GLY A 30 56.308 -12.191 -5.852 1.00 0.00 C ATOM 476 O GLY A 30 56.235 -11.677 -6.952 1.00 0.00 O ATOM 0 H GLY A 30 55.833 -13.646 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 30 54.905 -13.824 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 30 54.180 -12.235 -5.432 1.00 0.00 H new ATOM 480 N ALA A 31 57.445 -12.235 -5.191 1.00 0.00 N ATOM 481 CA ALA A 31 58.693 -11.653 -5.776 1.00 0.00 C ATOM 482 C ALA A 31 59.663 -12.785 -6.145 1.00 0.00 C ATOM 483 O ALA A 31 59.887 -13.697 -5.372 1.00 0.00 O ATOM 484 CB ALA A 31 59.280 -10.769 -4.668 1.00 0.00 C ATOM 0 H ALA A 31 57.559 -12.652 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 31 58.506 -11.081 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.201 -10.305 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.562 -9.993 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.495 -11.380 -3.791 1.00 0.00 H new ATOM 524 N CYS A 35 63.473 -9.483 -3.387 1.00 0.00 N ATOM 525 CA CYS A 35 62.935 -8.673 -2.239 1.00 0.00 C ATOM 526 C CYS A 35 61.809 -7.725 -2.706 1.00 0.00 C ATOM 527 O CYS A 35 60.680 -8.144 -2.879 1.00 0.00 O ATOM 528 CB CYS A 35 64.144 -7.899 -1.700 1.00 0.00 C ATOM 529 SG CYS A 35 65.223 -9.026 -0.780 1.00 0.00 S ATOM 0 HA CYS A 35 62.485 -9.299 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.694 -7.444 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.811 -7.088 -1.052 1.00 0.00 H new ATOM 0 HG CYS A 35 66.309 -8.401 -0.433 1.00 0.00 H new ATOM 535 N ILE A 36 62.102 -6.460 -2.918 1.00 0.00 N ATOM 536 CA ILE A 36 61.044 -5.511 -3.382 1.00 0.00 C ATOM 537 C ILE A 36 61.537 -4.736 -4.610 1.00 0.00 C ATOM 538 O ILE A 36 62.160 -3.697 -4.493 1.00 0.00 O ATOM 539 CB ILE A 36 60.792 -4.554 -2.211 1.00 0.00 C ATOM 540 CG1 ILE A 36 60.394 -5.347 -0.963 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.656 -3.589 -2.577 1.00 0.00 C ATOM 542 CD1 ILE A 36 60.443 -4.426 0.259 1.00 0.00 C ATOM 0 H ILE A 36 63.026 -6.048 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 36 60.132 -6.033 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 36 61.704 -3.994 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 36 59.391 -5.757 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 61.069 -6.191 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.475 -2.908 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.936 -3.016 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.749 -4.157 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 36 60.160 -4.988 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 61.454 -4.037 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 36 59.750 -3.597 0.118 1.00 0.00 H new ATOM 554 N SER A 37 61.253 -5.228 -5.787 1.00 0.00 N ATOM 555 CA SER A 37 61.691 -4.512 -7.024 1.00 0.00 C ATOM 556 C SER A 37 60.550 -3.622 -7.526 1.00 0.00 C ATOM 557 O SER A 37 59.524 -3.498 -6.881 1.00 0.00 O ATOM 558 CB SER A 37 62.006 -5.612 -8.038 1.00 0.00 C ATOM 559 OG SER A 37 63.295 -5.380 -8.591 1.00 0.00 O ATOM 0 H SER A 37 60.737 -6.094 -5.947 1.00 0.00 H new ATOM 0 HA SER A 37 62.556 -3.870 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.974 -6.589 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.254 -5.622 -8.827 1.00 0.00 H new ATOM 0 HG SER A 37 63.504 -6.083 -9.241 1.00 0.00 H new ATOM 565 N THR A 38 60.705 -3.010 -8.673 1.00 0.00 N ATOM 566 CA THR A 38 59.606 -2.141 -9.206 1.00 0.00 C ATOM 567 C THR A 38 58.328 -2.975 -9.395 1.00 0.00 C ATOM 568 O THR A 38 57.228 -2.490 -9.201 1.00 0.00 O ATOM 569 CB THR A 38 60.108 -1.594 -10.548 1.00 0.00 C ATOM 570 OG1 THR A 38 60.865 -2.592 -11.225 1.00 0.00 O ATOM 571 CG2 THR A 38 60.983 -0.365 -10.295 1.00 0.00 C ATOM 0 H THR A 38 61.536 -3.072 -9.261 1.00 0.00 H new ATOM 0 HA THR A 38 59.362 -1.327 -8.523 1.00 0.00 H new ATOM 0 HB THR A 38 59.256 -1.315 -11.168 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.181 -2.237 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.342 0.028 -11.246 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.397 0.400 -9.785 1.00 0.00 H new ATOM 0 HG23 THR A 38 61.833 -0.646 -9.674 1.00 0.00 H new ATOM 579 N LYS A 39 58.472 -4.233 -9.747 1.00 0.00 N ATOM 580 CA LYS A 39 57.274 -5.116 -9.923 1.00 0.00 C ATOM 581 C LYS A 39 56.530 -5.253 -8.585 1.00 0.00 C ATOM 582 O LYS A 39 55.313 -5.263 -8.539 1.00 0.00 O ATOM 583 CB LYS A 39 57.839 -6.470 -10.374 1.00 0.00 C ATOM 584 CG LYS A 39 56.733 -7.532 -10.333 1.00 0.00 C ATOM 585 CD LYS A 39 57.205 -8.801 -11.051 1.00 0.00 C ATOM 586 CE LYS A 39 58.228 -9.542 -10.181 1.00 0.00 C ATOM 587 NZ LYS A 39 57.419 -10.296 -9.181 1.00 0.00 N ATOM 0 H LYS A 39 59.369 -4.686 -9.920 1.00 0.00 H new ATOM 0 HA LYS A 39 56.562 -4.718 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.241 -6.389 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.664 -6.765 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.476 -7.762 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 39 55.830 -7.149 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.354 -9.449 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.651 -8.542 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.840 -10.216 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 39 58.908 -8.844 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.900 -11.188 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 57.311 -9.724 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.481 -10.503 -9.579 1.00 0.00 H new ATOM 601 N GLU A 40 57.262 -5.347 -7.498 1.00 0.00 N ATOM 602 CA GLU A 40 56.619 -5.469 -6.151 1.00 0.00 C ATOM 603 C GLU A 40 55.874 -4.169 -5.809 1.00 0.00 C ATOM 604 O GLU A 40 54.835 -4.191 -5.177 1.00 0.00 O ATOM 605 CB GLU A 40 57.778 -5.720 -5.175 1.00 0.00 C ATOM 606 CG GLU A 40 57.985 -7.232 -4.983 1.00 0.00 C ATOM 607 CD GLU A 40 58.022 -7.943 -6.343 1.00 0.00 C ATOM 608 OE1 GLU A 40 59.028 -7.832 -7.024 1.00 0.00 O ATOM 609 OE2 GLU A 40 57.039 -8.586 -6.678 1.00 0.00 O ATOM 0 H GLU A 40 58.282 -5.344 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 40 55.884 -6.272 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.692 -5.265 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.565 -5.249 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.916 -7.413 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.180 -7.641 -4.373 1.00 0.00 H new ATOM 616 N LEU A 41 56.385 -3.040 -6.247 1.00 0.00 N ATOM 617 CA LEU A 41 55.689 -1.743 -5.977 1.00 0.00 C ATOM 618 C LEU A 41 54.356 -1.728 -6.730 1.00 0.00 C ATOM 619 O LEU A 41 53.297 -1.681 -6.137 1.00 0.00 O ATOM 620 CB LEU A 41 56.629 -0.654 -6.523 1.00 0.00 C ATOM 621 CG LEU A 41 55.998 0.738 -6.355 1.00 0.00 C ATOM 622 CD1 LEU A 41 54.959 0.984 -7.454 1.00 0.00 C ATOM 623 CD2 LEU A 41 55.325 0.851 -4.981 1.00 0.00 C ATOM 0 H LEU A 41 57.252 -2.963 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 41 55.477 -1.589 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.583 -0.693 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.837 -0.840 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 41 56.786 1.487 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.519 1.973 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.441 0.926 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.176 0.228 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 54.882 1.841 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.546 0.093 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 41 56.068 0.699 -4.198 1.00 0.00 H new ATOM 635 N GLY A 42 54.417 -1.767 -8.041 1.00 0.00 N ATOM 636 CA GLY A 42 53.176 -1.759 -8.882 1.00 0.00 C ATOM 637 C GLY A 42 52.142 -2.767 -8.352 1.00 0.00 C ATOM 638 O GLY A 42 50.955 -2.582 -8.528 1.00 0.00 O ATOM 0 H GLY A 42 55.287 -1.805 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.743 -0.759 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.430 -2.002 -9.914 1.00 0.00 H new ATOM 642 N LYS A 43 52.582 -3.826 -7.705 1.00 0.00 N ATOM 643 CA LYS A 43 51.621 -4.842 -7.159 1.00 0.00 C ATOM 644 C LYS A 43 50.517 -4.151 -6.345 1.00 0.00 C ATOM 645 O LYS A 43 49.343 -4.375 -6.568 1.00 0.00 O ATOM 646 CB LYS A 43 52.463 -5.755 -6.259 1.00 0.00 C ATOM 647 CG LYS A 43 52.189 -7.220 -6.614 1.00 0.00 C ATOM 648 CD LYS A 43 53.508 -8.003 -6.634 1.00 0.00 C ATOM 649 CE LYS A 43 53.595 -8.903 -5.394 1.00 0.00 C ATOM 650 NZ LYS A 43 54.859 -8.506 -4.711 1.00 0.00 N ATOM 0 H LYS A 43 53.566 -4.029 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 43 51.126 -5.402 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.522 -5.531 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.222 -5.573 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 43 51.506 -7.659 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.703 -7.283 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 43 53.569 -8.608 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.351 -7.313 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.733 -8.760 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.612 -9.957 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.191 -9.289 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 55.584 -8.284 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.686 -7.668 -4.120 1.00 0.00 H new ATOM 664 N VAL A 44 50.886 -3.300 -5.416 1.00 0.00 N ATOM 665 CA VAL A 44 49.849 -2.580 -4.603 1.00 0.00 C ATOM 666 C VAL A 44 49.211 -1.459 -5.448 1.00 0.00 C ATOM 667 O VAL A 44 48.025 -1.205 -5.348 1.00 0.00 O ATOM 668 CB VAL A 44 50.571 -2.019 -3.358 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.941 -3.170 -2.419 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.847 -1.272 -3.756 1.00 0.00 C ATOM 0 H VAL A 44 51.853 -3.073 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 44 49.041 -3.243 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 44 49.898 -1.324 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.450 -2.774 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.036 -3.692 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 44 51.601 -3.865 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.337 -0.887 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 44 52.521 -1.954 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.592 -0.443 -4.416 1.00 0.00 H new ATOM 680 N MET A 45 49.981 -0.805 -6.296 1.00 0.00 N ATOM 681 CA MET A 45 49.419 0.275 -7.168 1.00 0.00 C ATOM 682 C MET A 45 48.265 -0.265 -8.029 1.00 0.00 C ATOM 683 O MET A 45 47.344 0.458 -8.357 1.00 0.00 O ATOM 684 CB MET A 45 50.592 0.712 -8.050 1.00 0.00 C ATOM 685 CG MET A 45 51.346 1.850 -7.365 1.00 0.00 C ATOM 686 SD MET A 45 52.191 1.240 -5.888 1.00 0.00 S ATOM 687 CE MET A 45 52.112 2.782 -4.942 1.00 0.00 C ATOM 0 H MET A 45 50.979 -0.978 -6.418 1.00 0.00 H new ATOM 0 HA MET A 45 49.009 1.101 -6.587 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.262 -0.129 -8.225 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.227 1.037 -9.024 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.071 2.283 -8.055 1.00 0.00 H new ATOM 0 HG3 MET A 45 50.651 2.644 -7.093 1.00 0.00 H new ATOM 0 HE1 MET A 45 52.585 2.638 -3.971 1.00 0.00 H new ATOM 0 HE2 MET A 45 52.633 3.570 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 45 51.070 3.068 -4.799 1.00 0.00 H new ATOM 697 N ARG A 46 48.299 -1.532 -8.384 1.00 0.00 N ATOM 698 CA ARG A 46 47.190 -2.119 -9.208 1.00 0.00 C ATOM 699 C ARG A 46 45.856 -1.954 -8.466 1.00 0.00 C ATOM 700 O ARG A 46 44.875 -1.508 -9.029 1.00 0.00 O ATOM 701 CB ARG A 46 47.536 -3.604 -9.362 1.00 0.00 C ATOM 702 CG ARG A 46 48.661 -3.779 -10.389 1.00 0.00 C ATOM 703 CD ARG A 46 49.349 -5.127 -10.156 1.00 0.00 C ATOM 704 NE ARG A 46 50.458 -5.179 -11.154 1.00 0.00 N ATOM 705 CZ ARG A 46 51.699 -5.158 -10.757 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.181 -6.153 -10.067 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.458 -4.143 -11.052 1.00 0.00 N ATOM 0 H ARG A 46 49.045 -2.183 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 46 47.090 -1.630 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.843 -4.015 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.654 -4.160 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.257 -3.733 -11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 46 49.383 -2.968 -10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.732 -5.203 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 46 48.653 -5.954 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 46 50.244 -5.231 -12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 46 51.587 -6.949 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.153 -6.135 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 46 52.081 -3.365 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 46 53.430 -4.125 -10.742 1.00 0.00 H new ATOM 721 N MET A 47 45.826 -2.295 -7.197 1.00 0.00 N ATOM 722 CA MET A 47 44.567 -2.139 -6.398 1.00 0.00 C ATOM 723 C MET A 47 44.224 -0.647 -6.258 1.00 0.00 C ATOM 724 O MET A 47 43.071 -0.272 -6.175 1.00 0.00 O ATOM 725 CB MET A 47 44.879 -2.756 -5.027 1.00 0.00 C ATOM 726 CG MET A 47 45.005 -4.278 -5.160 1.00 0.00 C ATOM 727 SD MET A 47 44.639 -5.058 -3.568 1.00 0.00 S ATOM 728 CE MET A 47 46.239 -4.750 -2.780 1.00 0.00 C ATOM 0 H MET A 47 46.620 -2.675 -6.681 1.00 0.00 H new ATOM 0 HA MET A 47 43.712 -2.624 -6.869 1.00 0.00 H new ATOM 0 HB2 MET A 47 45.805 -2.338 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 47 44.089 -2.508 -4.318 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.318 -4.645 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 47 46.012 -4.543 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.231 -5.158 -1.769 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.028 -5.230 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 47 46.423 -3.676 -2.737 1.00 0.00 H new ATOM 738 N LEU A 48 45.226 0.203 -6.243 1.00 0.00 N ATOM 739 CA LEU A 48 44.982 1.675 -6.125 1.00 0.00 C ATOM 740 C LEU A 48 44.384 2.220 -7.432 1.00 0.00 C ATOM 741 O LEU A 48 43.416 2.958 -7.419 1.00 0.00 O ATOM 742 CB LEU A 48 46.366 2.279 -5.874 1.00 0.00 C ATOM 743 CG LEU A 48 46.235 3.527 -5.002 1.00 0.00 C ATOM 744 CD1 LEU A 48 47.035 3.336 -3.712 1.00 0.00 C ATOM 745 CD2 LEU A 48 46.779 4.735 -5.766 1.00 0.00 C ATOM 0 H LEU A 48 46.208 -0.064 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 48 44.277 1.919 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.009 1.548 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.839 2.535 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 48 45.186 3.692 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 48 46.941 4.227 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 48 46.650 2.473 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 48 48.085 3.173 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 48 46.688 5.628 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 47.828 4.569 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 46.210 4.871 -6.685 1.00 0.00 H new ATOM 757 N GLY A 49 44.952 1.854 -8.558 1.00 0.00 N ATOM 758 CA GLY A 49 44.418 2.337 -9.871 1.00 0.00 C ATOM 759 C GLY A 49 45.457 3.197 -10.611 1.00 0.00 C ATOM 760 O GLY A 49 45.333 3.424 -11.799 1.00 0.00 O ATOM 0 H GLY A 49 45.764 1.240 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.141 1.484 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 49 43.511 2.919 -9.706 1.00 0.00 H new ATOM 764 N GLN A 50 46.471 3.686 -9.933 1.00 0.00 N ATOM 765 CA GLN A 50 47.491 4.538 -10.627 1.00 0.00 C ATOM 766 C GLN A 50 48.834 3.802 -10.753 1.00 0.00 C ATOM 767 O GLN A 50 49.582 3.683 -9.801 1.00 0.00 O ATOM 768 CB GLN A 50 47.641 5.785 -9.750 1.00 0.00 C ATOM 769 CG GLN A 50 46.599 6.834 -10.160 1.00 0.00 C ATOM 770 CD GLN A 50 47.285 8.186 -10.374 1.00 0.00 C ATOM 771 OE1 GLN A 50 47.674 8.515 -11.476 1.00 0.00 O ATOM 772 NE2 GLN A 50 47.452 8.990 -9.360 1.00 0.00 N ATOM 0 H GLN A 50 46.635 3.534 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 50 47.181 4.786 -11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.512 5.521 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.645 6.196 -9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.095 6.522 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.834 6.922 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 50 47.126 8.716 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 50 47.908 9.892 -9.494 1.00 0.00 H new ATOM 781 N ASN A 51 49.146 3.323 -11.932 1.00 0.00 N ATOM 782 CA ASN A 51 50.443 2.607 -12.143 1.00 0.00 C ATOM 783 C ASN A 51 50.861 2.700 -13.620 1.00 0.00 C ATOM 784 O ASN A 51 50.333 1.988 -14.454 1.00 0.00 O ATOM 785 CB ASN A 51 50.174 1.152 -11.746 1.00 0.00 C ATOM 786 CG ASN A 51 51.506 0.445 -11.487 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.273 0.859 -10.642 1.00 0.00 O ATOM 788 ND2 ASN A 51 51.821 -0.609 -12.187 1.00 0.00 N ATOM 0 H ASN A 51 48.556 3.397 -12.761 1.00 0.00 H new ATOM 0 HA ASN A 51 51.252 3.039 -11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 51 49.550 1.116 -10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.626 0.642 -12.538 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.709 -1.083 -12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.179 -0.960 -12.898 1.00 0.00 H new ATOM 795 N PRO A 52 51.790 3.588 -13.899 1.00 0.00 N ATOM 796 CA PRO A 52 52.266 3.778 -15.294 1.00 0.00 C ATOM 797 C PRO A 52 53.232 2.651 -15.714 1.00 0.00 C ATOM 798 O PRO A 52 52.809 1.631 -16.224 1.00 0.00 O ATOM 799 CB PRO A 52 52.963 5.138 -15.248 1.00 0.00 C ATOM 800 CG PRO A 52 53.384 5.323 -13.821 1.00 0.00 C ATOM 801 CD PRO A 52 52.470 4.489 -12.957 1.00 0.00 C ATOM 0 HA PRO A 52 51.462 3.745 -16.029 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.823 5.161 -15.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.290 5.935 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.421 5.016 -13.686 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.323 6.374 -13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.032 3.930 -12.209 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.756 5.112 -12.419 1.00 0.00 H new ATOM 809 N THR A 53 54.519 2.826 -15.522 1.00 0.00 N ATOM 810 CA THR A 53 55.494 1.771 -15.928 1.00 0.00 C ATOM 811 C THR A 53 56.473 1.466 -14.786 1.00 0.00 C ATOM 812 O THR A 53 56.605 2.243 -13.860 1.00 0.00 O ATOM 813 CB THR A 53 56.248 2.372 -17.118 1.00 0.00 C ATOM 814 OG1 THR A 53 56.511 3.750 -16.876 1.00 0.00 O ATOM 815 CG2 THR A 53 55.407 2.229 -18.386 1.00 0.00 C ATOM 0 H THR A 53 54.934 3.657 -15.100 1.00 0.00 H new ATOM 0 HA THR A 53 54.997 0.833 -16.177 1.00 0.00 H new ATOM 0 HB THR A 53 57.192 1.842 -17.247 1.00 0.00 H new ATOM 0 HG1 THR A 53 56.995 4.130 -17.639 1.00 0.00 H new ATOM 0 HG21 THR A 53 55.946 2.658 -19.231 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.213 1.173 -18.577 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.461 2.754 -18.256 1.00 0.00 H new ATOM 823 N PRO A 54 57.146 0.344 -14.904 1.00 0.00 N ATOM 824 CA PRO A 54 58.138 -0.070 -13.874 1.00 0.00 C ATOM 825 C PRO A 54 59.396 0.807 -13.964 1.00 0.00 C ATOM 826 O PRO A 54 60.026 1.102 -12.967 1.00 0.00 O ATOM 827 CB PRO A 54 58.453 -1.519 -14.238 1.00 0.00 C ATOM 828 CG PRO A 54 58.138 -1.631 -15.696 1.00 0.00 C ATOM 829 CD PRO A 54 57.046 -0.637 -15.994 1.00 0.00 C ATOM 0 HA PRO A 54 57.768 0.033 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.498 -1.757 -14.041 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.852 -2.213 -13.650 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.023 -1.422 -16.298 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.815 -2.642 -15.943 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.189 -0.167 -16.967 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.066 -1.115 -16.012 1.00 0.00 H new ATOM 837 N GLU A 55 59.757 1.225 -15.152 1.00 0.00 N ATOM 838 CA GLU A 55 60.968 2.088 -15.322 1.00 0.00 C ATOM 839 C GLU A 55 60.799 3.415 -14.564 1.00 0.00 C ATOM 840 O GLU A 55 61.759 3.991 -14.092 1.00 0.00 O ATOM 841 CB GLU A 55 61.071 2.330 -16.828 1.00 0.00 C ATOM 842 CG GLU A 55 61.897 1.204 -17.461 1.00 0.00 C ATOM 843 CD GLU A 55 61.113 -0.111 -17.415 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.121 -0.214 -18.119 1.00 0.00 O ATOM 845 OE2 GLU A 55 61.516 -0.991 -16.672 1.00 0.00 O ATOM 0 H GLU A 55 59.262 1.004 -16.016 1.00 0.00 H new ATOM 0 HA GLU A 55 61.867 1.619 -14.922 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.076 2.362 -17.273 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.539 3.295 -17.023 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.140 1.456 -18.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.842 1.092 -16.929 1.00 0.00 H new ATOM 852 N GLU A 56 59.582 3.894 -14.435 1.00 0.00 N ATOM 853 CA GLU A 56 59.343 5.177 -13.700 1.00 0.00 C ATOM 854 C GLU A 56 59.799 5.056 -12.235 1.00 0.00 C ATOM 855 O GLU A 56 60.362 5.979 -11.677 1.00 0.00 O ATOM 856 CB GLU A 56 57.829 5.397 -13.778 1.00 0.00 C ATOM 857 CG GLU A 56 57.483 6.812 -13.296 1.00 0.00 C ATOM 858 CD GLU A 56 56.209 6.782 -12.443 1.00 0.00 C ATOM 859 OE1 GLU A 56 56.169 6.021 -11.488 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.295 7.526 -12.756 1.00 0.00 O ATOM 0 H GLU A 56 58.743 3.450 -14.808 1.00 0.00 H new ATOM 0 HA GLU A 56 59.902 6.008 -14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.485 5.258 -14.803 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.313 4.658 -13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.310 7.219 -12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 57.341 7.472 -14.152 1.00 0.00 H new ATOM 867 N LEU A 57 59.559 3.927 -11.610 1.00 0.00 N ATOM 868 CA LEU A 57 59.977 3.752 -10.183 1.00 0.00 C ATOM 869 C LEU A 57 61.399 3.171 -10.082 1.00 0.00 C ATOM 870 O LEU A 57 61.973 3.132 -9.011 1.00 0.00 O ATOM 871 CB LEU A 57 58.952 2.786 -9.580 1.00 0.00 C ATOM 872 CG LEU A 57 57.542 3.373 -9.730 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.674 2.419 -10.551 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.918 3.566 -8.348 1.00 0.00 C ATOM 0 H LEU A 57 59.093 3.121 -12.026 1.00 0.00 H new ATOM 0 HA LEU A 57 60.003 4.705 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.010 1.819 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.175 2.614 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 57 57.605 4.335 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.673 2.837 -10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.116 2.283 -11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.613 1.456 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.917 3.983 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.858 2.604 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.534 4.249 -7.763 1.00 0.00 H new ATOM 886 N GLN A 58 61.978 2.728 -11.178 1.00 0.00 N ATOM 887 CA GLN A 58 63.367 2.162 -11.117 1.00 0.00 C ATOM 888 C GLN A 58 64.345 3.221 -10.581 1.00 0.00 C ATOM 889 O GLN A 58 65.130 2.951 -9.699 1.00 0.00 O ATOM 890 CB GLN A 58 63.717 1.772 -12.559 1.00 0.00 C ATOM 891 CG GLN A 58 63.132 0.389 -12.882 1.00 0.00 C ATOM 892 CD GLN A 58 63.993 -0.709 -12.245 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.227 -0.703 -11.054 1.00 0.00 O ATOM 894 NE2 GLN A 58 64.474 -1.663 -12.991 1.00 0.00 N ATOM 0 H GLN A 58 61.552 2.734 -12.105 1.00 0.00 H new ATOM 0 HA GLN A 58 63.432 1.304 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.322 2.515 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.799 1.758 -12.689 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.110 0.322 -12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 58 63.088 0.247 -13.962 1.00 0.00 H new ATOM 0 HE21 GLN A 58 64.281 -1.674 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.043 -2.399 -12.573 1.00 0.00 H new ATOM 903 N GLU A 59 64.288 4.430 -11.091 1.00 0.00 N ATOM 904 CA GLU A 59 65.206 5.505 -10.583 1.00 0.00 C ATOM 905 C GLU A 59 64.898 5.801 -9.107 1.00 0.00 C ATOM 906 O GLU A 59 65.779 6.126 -8.334 1.00 0.00 O ATOM 907 CB GLU A 59 64.913 6.737 -11.450 1.00 0.00 C ATOM 908 CG GLU A 59 66.078 6.977 -12.417 1.00 0.00 C ATOM 909 CD GLU A 59 65.945 6.051 -13.628 1.00 0.00 C ATOM 910 OE1 GLU A 59 65.252 6.424 -14.561 1.00 0.00 O ATOM 911 OE2 GLU A 59 66.539 4.987 -13.603 1.00 0.00 O ATOM 0 H GLU A 59 63.650 4.719 -11.833 1.00 0.00 H new ATOM 0 HA GLU A 59 66.254 5.212 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.989 6.589 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.767 7.612 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 59 66.084 8.017 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 59 67.026 6.795 -11.911 1.00 0.00 H new ATOM 918 N MET A 60 63.652 5.681 -8.713 1.00 0.00 N ATOM 919 CA MET A 60 63.281 5.941 -7.287 1.00 0.00 C ATOM 920 C MET A 60 63.923 4.889 -6.368 1.00 0.00 C ATOM 921 O MET A 60 64.332 5.194 -5.262 1.00 0.00 O ATOM 922 CB MET A 60 61.752 5.839 -7.250 1.00 0.00 C ATOM 923 CG MET A 60 61.228 6.338 -5.901 1.00 0.00 C ATOM 924 SD MET A 60 60.488 4.958 -4.994 1.00 0.00 S ATOM 925 CE MET A 60 59.056 4.724 -6.074 1.00 0.00 C ATOM 0 H MET A 60 62.876 5.414 -9.319 1.00 0.00 H new ATOM 0 HA MET A 60 63.630 6.913 -6.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 61.320 6.429 -8.058 1.00 0.00 H new ATOM 0 HB3 MET A 60 61.444 4.806 -7.410 1.00 0.00 H new ATOM 0 HG2 MET A 60 62.042 6.774 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.489 7.125 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 60 58.145 4.724 -5.475 1.00 0.00 H new ATOM 0 HE2 MET A 60 59.012 5.535 -6.801 1.00 0.00 H new ATOM 0 HE3 MET A 60 59.146 3.772 -6.597 1.00 0.00 H new ATOM 935 N ILE A 61 64.024 3.657 -6.819 1.00 0.00 N ATOM 936 CA ILE A 61 64.649 2.594 -5.967 1.00 0.00 C ATOM 937 C ILE A 61 66.127 2.920 -5.687 1.00 0.00 C ATOM 938 O ILE A 61 66.657 2.549 -4.661 1.00 0.00 O ATOM 939 CB ILE A 61 64.500 1.278 -6.756 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.486 0.104 -5.774 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.665 1.089 -7.735 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.395 -0.888 -6.176 1.00 0.00 C ATOM 0 H ILE A 61 63.702 3.345 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 61 64.165 2.521 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 61 63.569 1.318 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.457 -0.391 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.307 0.466 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.535 0.153 -8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.685 1.919 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.604 1.060 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.387 -1.723 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.426 -0.390 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.594 -1.260 -7.181 1.00 0.00 H new ATOM 954 N ASP A 62 66.791 3.617 -6.583 1.00 0.00 N ATOM 955 CA ASP A 62 68.229 3.966 -6.352 1.00 0.00 C ATOM 956 C ASP A 62 68.365 4.849 -5.102 1.00 0.00 C ATOM 957 O ASP A 62 69.220 4.626 -4.266 1.00 0.00 O ATOM 958 CB ASP A 62 68.663 4.730 -7.607 1.00 0.00 C ATOM 959 CG ASP A 62 69.078 3.739 -8.694 1.00 0.00 C ATOM 960 OD1 ASP A 62 70.171 3.205 -8.597 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.297 3.532 -9.607 1.00 0.00 O ATOM 0 H ASP A 62 66.399 3.957 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 62 68.847 3.084 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.845 5.356 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.494 5.395 -7.371 1.00 0.00 H new ATOM 966 N GLU A 63 67.518 5.841 -4.969 1.00 0.00 N ATOM 967 CA GLU A 63 67.581 6.737 -3.770 1.00 0.00 C ATOM 968 C GLU A 63 67.141 5.974 -2.513 1.00 0.00 C ATOM 969 O GLU A 63 67.744 6.090 -1.465 1.00 0.00 O ATOM 970 CB GLU A 63 66.606 7.880 -4.078 1.00 0.00 C ATOM 971 CG GLU A 63 67.053 9.157 -3.353 1.00 0.00 C ATOM 972 CD GLU A 63 66.833 9.015 -1.842 1.00 0.00 C ATOM 973 OE1 GLU A 63 65.709 8.752 -1.443 1.00 0.00 O ATOM 974 OE2 GLU A 63 67.794 9.174 -1.109 1.00 0.00 O ATOM 0 H GLU A 63 66.784 6.070 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 63 68.590 7.103 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.567 8.056 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.599 7.606 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 68.106 9.350 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.493 10.013 -3.730 1.00 0.00 H new ATOM 981 N VAL A 64 66.095 5.193 -2.615 1.00 0.00 N ATOM 982 CA VAL A 64 65.605 4.417 -1.431 1.00 0.00 C ATOM 983 C VAL A 64 66.564 3.256 -1.099 1.00 0.00 C ATOM 984 O VAL A 64 66.607 2.788 0.023 1.00 0.00 O ATOM 985 CB VAL A 64 64.225 3.889 -1.853 1.00 0.00 C ATOM 986 CG1 VAL A 64 63.689 2.914 -0.801 1.00 0.00 C ATOM 987 CG2 VAL A 64 63.251 5.064 -1.987 1.00 0.00 C ATOM 0 H VAL A 64 65.556 5.058 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 64 65.551 5.030 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 64 64.321 3.372 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 64 62.711 2.546 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.377 2.074 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.598 3.426 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.271 4.692 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.167 5.578 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.621 5.759 -2.741 1.00 0.00 H new ATOM 997 N ASP A 65 67.328 2.788 -2.058 1.00 0.00 N ATOM 998 CA ASP A 65 68.273 1.660 -1.785 1.00 0.00 C ATOM 999 C ASP A 65 69.613 2.202 -1.258 1.00 0.00 C ATOM 1000 O ASP A 65 69.955 1.997 -0.111 1.00 0.00 O ATOM 1001 CB ASP A 65 68.453 0.961 -3.140 1.00 0.00 C ATOM 1002 CG ASP A 65 69.515 -0.133 -3.027 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.171 -1.224 -2.608 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.656 0.139 -3.364 1.00 0.00 O ATOM 0 H ASP A 65 67.337 3.138 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 65 67.897 0.975 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.506 0.528 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.747 1.688 -3.897 1.00 0.00 H new ATOM 1009 N GLU A 66 70.362 2.889 -2.099 1.00 0.00 N ATOM 1010 CA GLU A 66 71.693 3.471 -1.697 1.00 0.00 C ATOM 1011 C GLU A 66 72.552 2.480 -0.874 1.00 0.00 C ATOM 1012 O GLU A 66 73.371 2.882 -0.066 1.00 0.00 O ATOM 1013 CB GLU A 66 71.344 4.750 -0.902 1.00 0.00 C ATOM 1014 CG GLU A 66 71.276 4.476 0.610 1.00 0.00 C ATOM 1015 CD GLU A 66 70.047 5.169 1.204 1.00 0.00 C ATOM 1016 OE1 GLU A 66 68.963 4.629 1.071 1.00 0.00 O ATOM 1017 OE2 GLU A 66 70.210 6.234 1.780 1.00 0.00 O ATOM 0 H GLU A 66 70.101 3.074 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 66 72.311 3.693 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.092 5.518 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 66 70.386 5.142 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 71.225 3.403 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 66 72.181 4.839 1.096 1.00 0.00 H new ATOM 1024 N ASP A 67 72.389 1.192 -1.081 1.00 0.00 N ATOM 1025 CA ASP A 67 73.206 0.200 -0.312 1.00 0.00 C ATOM 1026 C ASP A 67 74.224 -0.514 -1.226 1.00 0.00 C ATOM 1027 O ASP A 67 75.232 -1.012 -0.761 1.00 0.00 O ATOM 1028 CB ASP A 67 72.176 -0.779 0.295 1.00 0.00 C ATOM 1029 CG ASP A 67 72.056 -2.059 -0.541 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.772 -1.958 -1.719 1.00 0.00 O ATOM 1031 OD2 ASP A 67 72.223 -3.127 0.019 1.00 0.00 O ATOM 0 H ASP A 67 71.729 0.788 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 67 73.808 0.673 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.471 -1.034 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.203 -0.292 0.358 1.00 0.00 H new ATOM 1036 N GLY A 68 73.975 -0.568 -2.517 1.00 0.00 N ATOM 1037 CA GLY A 68 74.936 -1.251 -3.436 1.00 0.00 C ATOM 1038 C GLY A 68 74.190 -2.221 -4.358 1.00 0.00 C ATOM 1039 O GLY A 68 74.373 -2.204 -5.559 1.00 0.00 O ATOM 0 H GLY A 68 73.151 -0.170 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.470 -0.510 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.683 -1.792 -2.855 1.00 0.00 H new ATOM 1043 N SER A 69 73.359 -3.071 -3.806 1.00 0.00 N ATOM 1044 CA SER A 69 72.608 -4.053 -4.653 1.00 0.00 C ATOM 1045 C SER A 69 71.597 -3.340 -5.567 1.00 0.00 C ATOM 1046 O SER A 69 71.398 -3.736 -6.700 1.00 0.00 O ATOM 1047 CB SER A 69 71.900 -4.986 -3.661 1.00 0.00 C ATOM 1048 OG SER A 69 70.637 -4.438 -3.291 1.00 0.00 O ATOM 0 H SER A 69 73.167 -3.128 -2.806 1.00 0.00 H new ATOM 0 HA SER A 69 73.273 -4.604 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.761 -5.969 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.519 -5.125 -2.775 1.00 0.00 H new ATOM 0 HG SER A 69 70.775 -3.612 -2.781 1.00 0.00 H new ATOM 1054 N GLY A 70 70.961 -2.295 -5.093 1.00 0.00 N ATOM 1055 CA GLY A 70 69.972 -1.567 -5.948 1.00 0.00 C ATOM 1056 C GLY A 70 68.542 -2.003 -5.600 1.00 0.00 C ATOM 1057 O GLY A 70 67.649 -1.183 -5.499 1.00 0.00 O ATOM 0 H GLY A 70 71.084 -1.916 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 70 70.077 -0.492 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 70 70.174 -1.767 -7.000 1.00 0.00 H new ATOM 1061 N THR A 71 68.312 -3.283 -5.427 1.00 0.00 N ATOM 1062 CA THR A 71 66.928 -3.765 -5.093 1.00 0.00 C ATOM 1063 C THR A 71 66.561 -3.384 -3.654 1.00 0.00 C ATOM 1064 O THR A 71 67.375 -3.481 -2.752 1.00 0.00 O ATOM 1065 CB THR A 71 66.960 -5.295 -5.236 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.903 -5.675 -6.232 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.572 -5.796 -5.637 1.00 0.00 C ATOM 0 H THR A 71 69.019 -4.015 -5.502 1.00 0.00 H new ATOM 0 HA THR A 71 66.186 -3.314 -5.752 1.00 0.00 H new ATOM 0 HB THR A 71 67.252 -5.735 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.917 -6.651 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 71 65.592 -6.881 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.849 -5.517 -4.870 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.284 -5.348 -6.588 1.00 0.00 H new ATOM 1075 N VAL A 72 65.338 -2.960 -3.433 1.00 0.00 N ATOM 1076 CA VAL A 72 64.910 -2.574 -2.050 1.00 0.00 C ATOM 1077 C VAL A 72 64.665 -3.830 -1.194 1.00 0.00 C ATOM 1078 O VAL A 72 63.987 -4.751 -1.610 1.00 0.00 O ATOM 1079 CB VAL A 72 63.613 -1.770 -2.235 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.808 -1.759 -0.931 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.963 -0.330 -2.617 1.00 0.00 C ATOM 0 H VAL A 72 64.619 -2.865 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 72 65.671 -1.990 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 72 63.017 -2.233 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.891 -1.187 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.557 -2.782 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.402 -1.301 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.046 0.244 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.563 0.121 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.530 -0.328 -3.548 1.00 0.00 H new ATOM 1091 N ASP A 73 65.215 -3.870 -0.003 1.00 0.00 N ATOM 1092 CA ASP A 73 65.021 -5.062 0.886 1.00 0.00 C ATOM 1093 C ASP A 73 64.277 -4.661 2.173 1.00 0.00 C ATOM 1094 O ASP A 73 63.685 -3.601 2.251 1.00 0.00 O ATOM 1095 CB ASP A 73 66.439 -5.557 1.216 1.00 0.00 C ATOM 1096 CG ASP A 73 67.274 -5.718 -0.063 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.749 -6.209 -1.047 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.434 -5.347 -0.030 1.00 0.00 O ATOM 0 H ASP A 73 65.791 -3.127 0.393 1.00 0.00 H new ATOM 0 HA ASP A 73 64.422 -5.835 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.928 -4.851 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.383 -6.511 1.741 1.00 0.00 H new ATOM 1103 N PHE A 74 64.310 -5.503 3.183 1.00 0.00 N ATOM 1104 CA PHE A 74 63.611 -5.181 4.473 1.00 0.00 C ATOM 1105 C PHE A 74 64.280 -3.980 5.156 1.00 0.00 C ATOM 1106 O PHE A 74 63.615 -3.066 5.608 1.00 0.00 O ATOM 1107 CB PHE A 74 63.752 -6.445 5.330 1.00 0.00 C ATOM 1108 CG PHE A 74 63.082 -6.236 6.668 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.683 -6.247 6.768 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.862 -6.032 7.811 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.070 -6.052 8.010 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.247 -5.838 9.053 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.851 -5.848 9.153 1.00 0.00 C ATOM 0 H PHE A 74 64.792 -6.402 3.169 1.00 0.00 H new ATOM 0 HA PHE A 74 62.566 -4.911 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.302 -7.295 4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.806 -6.681 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 74 61.079 -6.406 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.939 -6.024 7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.993 -6.059 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.850 -5.680 9.935 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.377 -5.698 10.112 1.00 0.00 H new ATOM 1123 N ASP A 75 65.588 -3.975 5.223 1.00 0.00 N ATOM 1124 CA ASP A 75 66.312 -2.832 5.863 1.00 0.00 C ATOM 1125 C ASP A 75 65.960 -1.523 5.144 1.00 0.00 C ATOM 1126 O ASP A 75 65.620 -0.535 5.769 1.00 0.00 O ATOM 1127 CB ASP A 75 67.798 -3.166 5.699 1.00 0.00 C ATOM 1128 CG ASP A 75 68.234 -4.112 6.819 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.889 -5.281 6.748 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.899 -3.651 7.730 1.00 0.00 O ATOM 0 H ASP A 75 66.188 -4.716 4.861 1.00 0.00 H new ATOM 0 HA ASP A 75 66.044 -2.698 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.973 -3.630 4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.392 -2.253 5.728 1.00 0.00 H new ATOM 1135 N GLU A 76 66.017 -1.519 3.834 1.00 0.00 N ATOM 1136 CA GLU A 76 65.666 -0.283 3.068 1.00 0.00 C ATOM 1137 C GLU A 76 64.167 0.013 3.216 1.00 0.00 C ATOM 1138 O GLU A 76 63.763 1.157 3.274 1.00 0.00 O ATOM 1139 CB GLU A 76 66.027 -0.592 1.615 1.00 0.00 C ATOM 1140 CG GLU A 76 67.549 -0.510 1.442 1.00 0.00 C ATOM 1141 CD GLU A 76 68.068 -1.786 0.779 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.560 -2.135 -0.270 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.972 -2.393 1.327 1.00 0.00 O ATOM 0 H GLU A 76 66.291 -2.318 3.263 1.00 0.00 H new ATOM 0 HA GLU A 76 66.199 0.597 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.672 -1.586 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.535 0.116 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.808 0.357 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.027 -0.374 2.412 1.00 0.00 H new ATOM 1150 N PHE A 77 63.344 -1.011 3.308 1.00 0.00 N ATOM 1151 CA PHE A 77 61.872 -0.786 3.492 1.00 0.00 C ATOM 1152 C PHE A 77 61.652 0.063 4.752 1.00 0.00 C ATOM 1153 O PHE A 77 60.839 0.968 4.767 1.00 0.00 O ATOM 1154 CB PHE A 77 61.268 -2.187 3.659 1.00 0.00 C ATOM 1155 CG PHE A 77 59.759 -2.113 3.603 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.098 -2.214 2.373 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.021 -1.954 4.782 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.701 -2.154 2.321 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.624 -1.896 4.731 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.963 -1.996 3.501 1.00 0.00 C ATOM 0 H PHE A 77 63.629 -1.989 3.264 1.00 0.00 H new ATOM 0 HA PHE A 77 61.412 -0.258 2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.637 -2.846 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.584 -2.616 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.667 -2.338 1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.530 -1.876 5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.192 -2.229 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.055 -1.774 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.885 -1.951 3.462 1.00 0.00 H new ATOM 1170 N LEU A 78 62.402 -0.206 5.795 1.00 0.00 N ATOM 1171 CA LEU A 78 62.276 0.602 7.046 1.00 0.00 C ATOM 1172 C LEU A 78 62.816 2.015 6.786 1.00 0.00 C ATOM 1173 O LEU A 78 62.219 2.999 7.182 1.00 0.00 O ATOM 1174 CB LEU A 78 63.139 -0.124 8.084 1.00 0.00 C ATOM 1175 CG LEU A 78 62.436 -1.406 8.540 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.415 -2.259 9.349 1.00 0.00 C ATOM 1177 CD2 LEU A 78 61.231 -1.049 9.417 1.00 0.00 C ATOM 0 H LEU A 78 63.097 -0.952 5.832 1.00 0.00 H new ATOM 0 HA LEU A 78 61.245 0.699 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 78 64.112 -0.365 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 78 63.319 0.527 8.940 1.00 0.00 H new ATOM 0 HG LEU A 78 62.096 -1.963 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.918 -3.173 9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.274 -2.515 8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.752 -1.698 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.733 -1.963 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.569 -0.492 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.533 -0.438 8.845 1.00 0.00 H new ATOM 1189 N VAL A 79 63.935 2.117 6.100 1.00 0.00 N ATOM 1190 CA VAL A 79 64.518 3.463 5.783 1.00 0.00 C ATOM 1191 C VAL A 79 63.557 4.250 4.877 1.00 0.00 C ATOM 1192 O VAL A 79 63.437 5.455 4.988 1.00 0.00 O ATOM 1193 CB VAL A 79 65.842 3.176 5.056 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.445 4.484 4.534 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.828 2.526 6.030 1.00 0.00 C ATOM 0 H VAL A 79 64.469 1.324 5.746 1.00 0.00 H new ATOM 0 HA VAL A 79 64.678 4.064 6.678 1.00 0.00 H new ATOM 0 HB VAL A 79 65.650 2.505 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.383 4.273 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.749 4.954 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.633 5.157 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.767 2.322 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 79 67.012 3.201 6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.408 1.592 6.403 1.00 0.00 H new ATOM 1205 N MET A 80 62.866 3.575 3.992 1.00 0.00 N ATOM 1206 CA MET A 80 61.901 4.278 3.092 1.00 0.00 C ATOM 1207 C MET A 80 60.706 4.786 3.911 1.00 0.00 C ATOM 1208 O MET A 80 60.256 5.902 3.734 1.00 0.00 O ATOM 1209 CB MET A 80 61.456 3.219 2.079 1.00 0.00 C ATOM 1210 CG MET A 80 60.562 3.864 1.016 1.00 0.00 C ATOM 1211 SD MET A 80 58.991 2.968 0.927 1.00 0.00 S ATOM 1212 CE MET A 80 57.990 4.164 1.847 1.00 0.00 C ATOM 0 H MET A 80 62.929 2.566 3.854 1.00 0.00 H new ATOM 0 HA MET A 80 62.342 5.144 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.327 2.764 1.608 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.915 2.421 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.383 4.911 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.060 3.845 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 80 56.935 4.006 1.621 1.00 0.00 H new ATOM 0 HE2 MET A 80 58.156 4.031 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.275 5.176 1.559 1.00 0.00 H new ATOM 1222 N MET A 81 60.200 3.976 4.812 1.00 0.00 N ATOM 1223 CA MET A 81 59.040 4.413 5.652 1.00 0.00 C ATOM 1224 C MET A 81 59.459 5.582 6.557 1.00 0.00 C ATOM 1225 O MET A 81 58.798 6.602 6.598 1.00 0.00 O ATOM 1226 CB MET A 81 58.649 3.179 6.475 1.00 0.00 C ATOM 1227 CG MET A 81 57.176 3.269 6.900 1.00 0.00 C ATOM 1228 SD MET A 81 56.159 3.890 5.531 1.00 0.00 S ATOM 1229 CE MET A 81 56.047 2.348 4.591 1.00 0.00 C ATOM 0 H MET A 81 60.540 3.033 5.001 1.00 0.00 H new ATOM 0 HA MET A 81 58.201 4.768 5.054 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.811 2.275 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 81 59.285 3.104 7.357 1.00 0.00 H new ATOM 0 HG2 MET A 81 56.820 2.287 7.210 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.079 3.929 7.762 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.452 2.512 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 81 57.048 2.020 4.309 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.574 1.581 5.205 1.00 0.00 H new ATOM 1239 N VAL A 82 60.565 5.456 7.260 1.00 0.00 N ATOM 1240 CA VAL A 82 61.031 6.585 8.133 1.00 0.00 C ATOM 1241 C VAL A 82 61.318 7.824 7.262 1.00 0.00 C ATOM 1242 O VAL A 82 61.186 8.948 7.710 1.00 0.00 O ATOM 1243 CB VAL A 82 62.302 6.075 8.842 1.00 0.00 C ATOM 1244 CG1 VAL A 82 63.451 5.925 7.844 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.715 7.065 9.934 1.00 0.00 C ATOM 0 H VAL A 82 61.160 4.627 7.267 1.00 0.00 H new ATOM 0 HA VAL A 82 60.283 6.883 8.867 1.00 0.00 H new ATOM 0 HB VAL A 82 62.084 5.102 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 82 64.339 5.564 8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 82 63.169 5.212 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 82 63.665 6.891 7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.613 6.702 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.917 8.038 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 82 61.909 7.161 10.662 1.00 0.00 H new ATOM 1255 N ARG A 83 61.678 7.621 6.011 1.00 0.00 N ATOM 1256 CA ARG A 83 61.940 8.778 5.095 1.00 0.00 C ATOM 1257 C ARG A 83 60.611 9.463 4.739 1.00 0.00 C ATOM 1258 O ARG A 83 60.528 10.674 4.668 1.00 0.00 O ATOM 1259 CB ARG A 83 62.576 8.166 3.837 1.00 0.00 C ATOM 1260 CG ARG A 83 64.100 8.312 3.894 1.00 0.00 C ATOM 1261 CD ARG A 83 64.735 7.438 2.807 1.00 0.00 C ATOM 1262 NE ARG A 83 65.748 8.310 2.143 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.991 7.928 2.068 1.00 0.00 C ATOM 1264 NH1 ARG A 83 67.388 7.210 1.060 1.00 0.00 N ATOM 1265 NH2 ARG A 83 67.836 8.273 2.997 1.00 0.00 N ATOM 0 H ARG A 83 61.801 6.701 5.587 1.00 0.00 H new ATOM 0 HA ARG A 83 62.588 9.528 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 83 62.306 7.113 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 83 62.188 8.661 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 83 64.382 9.355 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 83 64.468 8.016 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 83 65.201 6.551 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.987 7.091 2.094 1.00 0.00 H new ATOM 0 HE ARG A 83 65.466 9.207 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 83 66.727 6.947 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 83 68.361 6.910 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 83 67.525 8.843 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 83 68.809 7.974 2.938 1.00 0.00 H new ATOM 1279 N CYS A 84 59.571 8.689 4.519 1.00 0.00 N ATOM 1280 CA CYS A 84 58.237 9.279 4.169 1.00 0.00 C ATOM 1281 C CYS A 84 57.643 10.018 5.377 1.00 0.00 C ATOM 1282 O CYS A 84 57.237 11.159 5.274 1.00 0.00 O ATOM 1283 CB CYS A 84 57.352 8.086 3.779 1.00 0.00 C ATOM 1284 SG CYS A 84 56.849 8.250 2.048 1.00 0.00 S ATOM 0 H CYS A 84 59.590 7.670 4.567 1.00 0.00 H new ATOM 0 HA CYS A 84 58.315 10.006 3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.896 7.153 3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.473 8.046 4.422 1.00 0.00 H new ATOM 0 HG CYS A 84 56.102 7.240 1.716 1.00 0.00 H new ATOM 1290 N MET A 85 57.594 9.379 6.521 1.00 0.00 N ATOM 1291 CA MET A 85 57.027 10.054 7.734 1.00 0.00 C ATOM 1292 C MET A 85 58.035 11.053 8.339 1.00 0.00 C ATOM 1293 O MET A 85 57.725 11.745 9.291 1.00 0.00 O ATOM 1294 CB MET A 85 56.707 8.921 8.722 1.00 0.00 C ATOM 1295 CG MET A 85 57.996 8.241 9.198 1.00 0.00 C ATOM 1296 SD MET A 85 57.633 6.525 9.651 1.00 0.00 S ATOM 1297 CE MET A 85 58.521 6.503 11.228 1.00 0.00 C ATOM 0 H MET A 85 57.920 8.424 6.668 1.00 0.00 H new ATOM 0 HA MET A 85 56.139 10.636 7.490 1.00 0.00 H new ATOM 0 HB2 MET A 85 56.163 9.320 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.057 8.187 8.245 1.00 0.00 H new ATOM 0 HG2 MET A 85 58.749 8.270 8.410 1.00 0.00 H new ATOM 0 HG3 MET A 85 58.409 8.776 10.053 1.00 0.00 H new ATOM 0 HE1 MET A 85 58.547 5.485 11.617 1.00 0.00 H new ATOM 0 HE2 MET A 85 59.540 6.859 11.077 1.00 0.00 H new ATOM 0 HE3 MET A 85 58.012 7.151 11.941 1.00 0.00 H new ATOM 1475 N SER B 149 50.142 7.102 0.681 1.00 0.00 N ATOM 1476 CA SER B 149 49.601 7.209 2.072 1.00 0.00 C ATOM 1477 C SER B 149 49.856 5.903 2.836 1.00 0.00 C ATOM 1478 O SER B 149 49.301 4.869 2.516 1.00 0.00 O ATOM 1479 CB SER B 149 48.100 7.459 1.907 1.00 0.00 C ATOM 1480 OG SER B 149 47.710 8.543 2.741 1.00 0.00 O ATOM 0 HA SER B 149 50.078 8.008 2.640 1.00 0.00 H new ATOM 0 HB2 SER B 149 47.869 7.685 0.866 1.00 0.00 H new ATOM 0 HB3 SER B 149 47.539 6.562 2.170 1.00 0.00 H new ATOM 0 HG SER B 149 47.661 8.239 3.671 1.00 0.00 H new ATOM 1486 N ALA B 150 50.701 5.948 3.839 1.00 0.00 N ATOM 1487 CA ALA B 150 51.013 4.716 4.633 1.00 0.00 C ATOM 1488 C ALA B 150 49.735 4.132 5.257 1.00 0.00 C ATOM 1489 O ALA B 150 49.537 2.931 5.270 1.00 0.00 O ATOM 1490 CB ALA B 150 51.982 5.185 5.724 1.00 0.00 C ATOM 0 H ALA B 150 51.190 6.790 4.143 1.00 0.00 H new ATOM 0 HA ALA B 150 51.442 3.928 4.014 1.00 0.00 H new ATOM 0 HB1 ALA B 150 52.260 4.339 6.352 1.00 0.00 H new ATOM 0 HB2 ALA B 150 52.876 5.603 5.261 1.00 0.00 H new ATOM 0 HB3 ALA B 150 51.500 5.947 6.336 1.00 0.00 H new ATOM 1496 N ASP B 151 48.867 4.974 5.763 1.00 0.00 N ATOM 1497 CA ASP B 151 47.593 4.479 6.380 1.00 0.00 C ATOM 1498 C ASP B 151 46.708 3.795 5.321 1.00 0.00 C ATOM 1499 O ASP B 151 46.067 2.796 5.592 1.00 0.00 O ATOM 1500 CB ASP B 151 46.905 5.733 6.949 1.00 0.00 C ATOM 1501 CG ASP B 151 46.643 6.751 5.833 1.00 0.00 C ATOM 1502 OD1 ASP B 151 47.577 7.438 5.452 1.00 0.00 O ATOM 1503 OD2 ASP B 151 45.515 6.824 5.377 1.00 0.00 O ATOM 0 H ASP B 151 48.985 5.987 5.776 1.00 0.00 H new ATOM 0 HA ASP B 151 47.776 3.735 7.155 1.00 0.00 H new ATOM 0 HB2 ASP B 151 45.965 5.455 7.425 1.00 0.00 H new ATOM 0 HB3 ASP B 151 47.532 6.182 7.720 1.00 0.00 H new ATOM 1508 N ALA B 152 46.676 4.322 4.120 1.00 0.00 N ATOM 1509 CA ALA B 152 45.841 3.703 3.044 1.00 0.00 C ATOM 1510 C ALA B 152 46.545 2.466 2.469 1.00 0.00 C ATOM 1511 O ALA B 152 45.940 1.422 2.310 1.00 0.00 O ATOM 1512 CB ALA B 152 45.696 4.792 1.976 1.00 0.00 C ATOM 0 H ALA B 152 47.193 5.155 3.839 1.00 0.00 H new ATOM 0 HA ALA B 152 44.872 3.368 3.414 1.00 0.00 H new ATOM 0 HB1 ALA B 152 45.094 4.414 1.150 1.00 0.00 H new ATOM 0 HB2 ALA B 152 45.209 5.665 2.410 1.00 0.00 H new ATOM 0 HB3 ALA B 152 46.682 5.073 1.607 1.00 0.00 H new ATOM 1518 N MET B 153 47.817 2.575 2.163 1.00 0.00 N ATOM 1519 CA MET B 153 48.568 1.405 1.603 1.00 0.00 C ATOM 1520 C MET B 153 48.477 0.206 2.558 1.00 0.00 C ATOM 1521 O MET B 153 48.259 -0.914 2.136 1.00 0.00 O ATOM 1522 CB MET B 153 50.022 1.880 1.474 1.00 0.00 C ATOM 1523 CG MET B 153 50.876 0.773 0.846 1.00 0.00 C ATOM 1524 SD MET B 153 51.100 1.110 -0.918 1.00 0.00 S ATOM 1525 CE MET B 153 52.479 2.272 -0.759 1.00 0.00 C ATOM 0 H MET B 153 48.368 3.425 2.277 1.00 0.00 H new ATOM 0 HA MET B 153 48.161 1.080 0.645 1.00 0.00 H new ATOM 0 HB2 MET B 153 50.067 2.779 0.860 1.00 0.00 H new ATOM 0 HB3 MET B 153 50.416 2.144 2.455 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.845 0.720 1.343 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.394 -0.195 0.984 1.00 0.00 H new ATOM 0 HE1 MET B 153 52.532 2.898 -1.650 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.325 2.901 0.118 1.00 0.00 H new ATOM 0 HE3 MET B 153 53.411 1.718 -0.649 1.00 0.00 H new ATOM 1535 N MET B 154 48.639 0.435 3.840 1.00 0.00 N ATOM 1536 CA MET B 154 48.560 -0.689 4.827 1.00 0.00 C ATOM 1537 C MET B 154 47.200 -1.393 4.730 1.00 0.00 C ATOM 1538 O MET B 154 47.129 -2.595 4.578 1.00 0.00 O ATOM 1539 CB MET B 154 48.723 -0.033 6.201 1.00 0.00 C ATOM 1540 CG MET B 154 50.210 0.046 6.562 1.00 0.00 C ATOM 1541 SD MET B 154 50.665 -1.390 7.568 1.00 0.00 S ATOM 1542 CE MET B 154 49.844 -0.873 9.096 1.00 0.00 C ATOM 0 H MET B 154 48.823 1.353 4.246 1.00 0.00 H new ATOM 0 HA MET B 154 49.323 -1.445 4.643 1.00 0.00 H new ATOM 0 HB2 MET B 154 48.288 0.966 6.192 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.186 -0.608 6.955 1.00 0.00 H new ATOM 0 HG2 MET B 154 50.814 0.074 5.655 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.414 0.966 7.110 1.00 0.00 H new ATOM 0 HE1 MET B 154 49.299 -1.717 9.520 1.00 0.00 H new ATOM 0 HE2 MET B 154 50.590 -0.527 9.811 1.00 0.00 H new ATOM 0 HE3 MET B 154 49.147 -0.063 8.879 1.00 0.00 H new ATOM 1552 N GLN B 155 46.124 -0.650 4.813 1.00 0.00 N ATOM 1553 CA GLN B 155 44.763 -1.272 4.727 1.00 0.00 C ATOM 1554 C GLN B 155 44.550 -1.945 3.361 1.00 0.00 C ATOM 1555 O GLN B 155 43.861 -2.943 3.262 1.00 0.00 O ATOM 1556 CB GLN B 155 43.785 -0.111 4.916 1.00 0.00 C ATOM 1557 CG GLN B 155 42.388 -0.655 5.234 1.00 0.00 C ATOM 1558 CD GLN B 155 41.419 -0.259 4.119 1.00 0.00 C ATOM 1559 OE1 GLN B 155 40.968 0.867 4.063 1.00 0.00 O ATOM 1560 NE2 GLN B 155 41.077 -1.141 3.224 1.00 0.00 N ATOM 0 H GLN B 155 46.128 0.362 4.937 1.00 0.00 H new ATOM 0 HA GLN B 155 44.625 -2.052 5.476 1.00 0.00 H new ATOM 0 HB2 GLN B 155 44.126 0.536 5.724 1.00 0.00 H new ATOM 0 HB3 GLN B 155 43.751 0.498 4.013 1.00 0.00 H new ATOM 0 HG2 GLN B 155 42.422 -1.740 5.332 1.00 0.00 H new ATOM 0 HG3 GLN B 155 42.041 -0.260 6.189 1.00 0.00 H new ATOM 0 HE21 GLN B 155 41.455 -2.087 3.270 1.00 0.00 H new ATOM 0 HE22 GLN B 155 40.431 -0.886 2.477 1.00 0.00 H new ATOM 1569 N ALA B 156 45.133 -1.409 2.312 1.00 0.00 N ATOM 1570 CA ALA B 156 44.965 -2.019 0.951 1.00 0.00 C ATOM 1571 C ALA B 156 45.385 -3.501 0.952 1.00 0.00 C ATOM 1572 O ALA B 156 44.804 -4.313 0.258 1.00 0.00 O ATOM 1573 CB ALA B 156 45.886 -1.207 0.035 1.00 0.00 C ATOM 0 H ALA B 156 45.719 -0.574 2.340 1.00 0.00 H new ATOM 0 HA ALA B 156 43.925 -1.992 0.625 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.820 -1.593 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.581 -0.161 0.047 1.00 0.00 H new ATOM 0 HB3 ALA B 156 46.914 -1.289 0.388 1.00 0.00 H new ATOM 1579 N LEU B 157 46.388 -3.858 1.721 1.00 0.00 N ATOM 1580 CA LEU B 157 46.840 -5.288 1.753 1.00 0.00 C ATOM 1581 C LEU B 157 46.554 -5.949 3.118 1.00 0.00 C ATOM 1582 O LEU B 157 46.982 -7.060 3.368 1.00 0.00 O ATOM 1583 CB LEU B 157 48.349 -5.238 1.474 1.00 0.00 C ATOM 1584 CG LEU B 157 49.075 -4.488 2.598 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.862 -5.481 3.453 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.040 -3.467 1.993 1.00 0.00 C ATOM 0 H LEU B 157 46.911 -3.224 2.325 1.00 0.00 H new ATOM 0 HA LEU B 157 46.305 -5.889 1.018 1.00 0.00 H new ATOM 0 HB2 LEU B 157 48.744 -6.251 1.390 1.00 0.00 H new ATOM 0 HB3 LEU B 157 48.533 -4.744 0.520 1.00 0.00 H new ATOM 0 HG LEU B 157 48.341 -3.974 3.219 1.00 0.00 H new ATOM 0 HD11 LEU B 157 50.377 -4.946 4.251 1.00 0.00 H new ATOM 0 HD12 LEU B 157 49.177 -6.209 3.888 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.594 -5.997 2.831 1.00 0.00 H new ATOM 0 HD21 LEU B 157 50.555 -2.935 2.793 1.00 0.00 H new ATOM 0 HD22 LEU B 157 50.771 -3.982 1.370 1.00 0.00 H new ATOM 0 HD23 LEU B 157 49.482 -2.755 1.384 1.00 0.00 H new ATOM 1598 N LEU B 158 45.835 -5.290 3.996 1.00 0.00 N ATOM 1599 CA LEU B 158 45.531 -5.903 5.329 1.00 0.00 C ATOM 1600 C LEU B 158 44.018 -6.107 5.500 1.00 0.00 C ATOM 1601 O LEU B 158 43.576 -7.158 5.921 1.00 0.00 O ATOM 1602 CB LEU B 158 46.059 -4.905 6.364 1.00 0.00 C ATOM 1603 CG LEU B 158 47.050 -5.604 7.300 1.00 0.00 C ATOM 1604 CD1 LEU B 158 48.470 -5.122 6.997 1.00 0.00 C ATOM 1605 CD2 LEU B 158 46.700 -5.274 8.753 1.00 0.00 C ATOM 0 H LEU B 158 45.447 -4.358 3.848 1.00 0.00 H new ATOM 0 HA LEU B 158 45.993 -6.884 5.437 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.547 -4.070 5.861 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.231 -4.491 6.939 1.00 0.00 H new ATOM 0 HG LEU B 158 46.993 -6.682 7.147 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.173 -5.620 7.664 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.721 -5.358 5.963 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.528 -4.044 7.148 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.405 -5.771 9.419 1.00 0.00 H new ATOM 0 HD22 LEU B 158 46.756 -4.196 8.905 1.00 0.00 H new ATOM 0 HD23 LEU B 158 45.689 -5.619 8.971 1.00 0.00 H new