USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 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 45 MET CE :methyl 178:sc= -2.35! (180deg=-2.19) USER MOD Set 1.2: A 60 MET CE :methyl -166:sc= -0.524 (180deg=-0.637) USER MOD Set 2.1: A 37 SER OG : rot -90:sc= 1.04 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -124:sc= 0.245 (180deg=-0.595) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.531 USER MOD Set 3.2: A 16 GLN : amide:sc= 0.393 K(o=0.92,f=-0.48) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= 0.307 (180deg=-1.38!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= 2.23 (180deg=0.202) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= 1.02 (180deg=0.563) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.627 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.24) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.41 K(o=-0.41,f=-5.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.368 K(o=0.37,f=-0.35) USER MOD Single : A 69 SER OG : rot -88:sc= 0.139 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 80 MET CE :methyl 173:sc= -1.05 (180deg=-1.31) USER MOD Single : A 81 MET CE :methyl -110:sc= -0.789 (180deg=-4.02!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -150:sc= -0.693 (180deg=-2.25!) USER MOD Single : B 149 SER OG : rot 170:sc= 0 USER MOD Single : B 153 MET CE :methyl -161:sc= -0.0809 (180deg=-0.358) USER MOD Single : B 154 MET CE :methyl 159:sc= -0.935 (180deg=-1.58) USER MOD Single : B 155 GLN : amide:sc= 0.0289 X(o=0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 70.887 9.148 8.046 1.00 0.00 N ATOM 45 CA ILE A 4 69.814 9.977 8.684 1.00 0.00 C ATOM 46 C ILE A 4 68.446 9.323 8.461 1.00 0.00 C ATOM 47 O ILE A 4 67.677 9.146 9.387 1.00 0.00 O ATOM 48 CB ILE A 4 69.888 11.345 7.997 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.329 11.867 8.050 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.966 12.330 8.722 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.607 12.726 6.816 1.00 0.00 C ATOM 0 HA ILE A 4 69.950 10.069 9.762 1.00 0.00 H new ATOM 0 HB ILE A 4 69.574 11.246 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 4 71.481 12.453 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 4 72.028 11.032 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 4 69.018 13.303 8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.941 11.961 8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.282 12.427 9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.631 13.097 6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 4 71.472 12.125 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 4 70.916 13.569 6.796 1.00 0.00 H new ATOM 63 N TYR A 5 68.145 8.946 7.243 1.00 0.00 N ATOM 64 CA TYR A 5 66.833 8.284 6.965 1.00 0.00 C ATOM 65 C TYR A 5 66.795 6.912 7.649 1.00 0.00 C ATOM 66 O TYR A 5 65.789 6.515 8.205 1.00 0.00 O ATOM 67 CB TYR A 5 66.765 8.141 5.441 1.00 0.00 C ATOM 68 CG TYR A 5 65.851 9.206 4.882 1.00 0.00 C ATOM 69 CD1 TYR A 5 64.517 9.275 5.305 1.00 0.00 C ATOM 70 CD2 TYR A 5 66.336 10.127 3.946 1.00 0.00 C ATOM 71 CE1 TYR A 5 63.670 10.262 4.792 1.00 0.00 C ATOM 72 CE2 TYR A 5 65.487 11.115 3.433 1.00 0.00 C ATOM 73 CZ TYR A 5 64.155 11.183 3.857 1.00 0.00 C ATOM 74 OH TYR A 5 63.320 12.155 3.349 1.00 0.00 O ATOM 0 H TYR A 5 68.750 9.068 6.431 1.00 0.00 H new ATOM 0 HA TYR A 5 65.986 8.855 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 5 67.762 8.237 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 5 66.396 7.151 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 5 64.143 8.565 6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 5 67.364 10.075 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.641 10.314 5.117 1.00 0.00 H new ATOM 0 HE2 TYR A 5 65.860 11.825 2.710 1.00 0.00 H new ATOM 0 HH TYR A 5 63.815 12.712 2.713 1.00 0.00 H new ATOM 84 N LYS A 6 67.895 6.198 7.628 1.00 0.00 N ATOM 85 CA LYS A 6 67.943 4.860 8.294 1.00 0.00 C ATOM 86 C LYS A 6 67.844 5.033 9.819 1.00 0.00 C ATOM 87 O LYS A 6 67.273 4.208 10.505 1.00 0.00 O ATOM 88 CB LYS A 6 69.296 4.257 7.893 1.00 0.00 C ATOM 89 CG LYS A 6 69.078 3.108 6.900 1.00 0.00 C ATOM 90 CD LYS A 6 68.380 3.632 5.638 1.00 0.00 C ATOM 91 CE LYS A 6 69.106 3.117 4.389 1.00 0.00 C ATOM 92 NZ LYS A 6 68.548 1.754 4.137 1.00 0.00 N ATOM 0 H LYS A 6 68.763 6.486 7.177 1.00 0.00 H new ATOM 0 HA LYS A 6 67.118 4.214 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.927 5.023 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.818 3.892 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.035 2.658 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.474 2.327 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 67.340 3.306 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 6 68.373 4.722 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.935 3.775 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 6 70.183 3.077 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 68.511 1.578 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 69.155 1.041 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.588 1.693 4.533 1.00 0.00 H new ATOM 106 N ALA A 7 68.375 6.113 10.351 1.00 0.00 N ATOM 107 CA ALA A 7 68.284 6.349 11.828 1.00 0.00 C ATOM 108 C ALA A 7 66.810 6.506 12.232 1.00 0.00 C ATOM 109 O ALA A 7 66.401 6.083 13.297 1.00 0.00 O ATOM 110 CB ALA A 7 69.059 7.646 12.082 1.00 0.00 C ATOM 0 H ALA A 7 68.865 6.838 9.827 1.00 0.00 H new ATOM 0 HA ALA A 7 68.694 5.523 12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 7 69.035 7.882 13.146 1.00 0.00 H new ATOM 0 HB2 ALA A 7 70.093 7.521 11.761 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.601 8.460 11.520 1.00 0.00 H new ATOM 116 N ALA A 8 66.009 7.096 11.375 1.00 0.00 N ATOM 117 CA ALA A 8 64.556 7.264 11.685 1.00 0.00 C ATOM 118 C ALA A 8 63.863 5.891 11.748 1.00 0.00 C ATOM 119 O ALA A 8 62.886 5.715 12.449 1.00 0.00 O ATOM 120 CB ALA A 8 63.998 8.094 10.527 1.00 0.00 C ATOM 0 H ALA A 8 66.302 7.469 10.472 1.00 0.00 H new ATOM 0 HA ALA A 8 64.392 7.746 12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.932 8.262 10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.514 9.053 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.150 7.559 9.590 1.00 0.00 H new ATOM 126 N VAL A 9 64.371 4.916 11.026 1.00 0.00 N ATOM 127 CA VAL A 9 63.753 3.549 11.049 1.00 0.00 C ATOM 128 C VAL A 9 63.877 2.930 12.451 1.00 0.00 C ATOM 129 O VAL A 9 63.019 2.184 12.885 1.00 0.00 O ATOM 130 CB VAL A 9 64.551 2.725 10.030 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.141 1.254 10.120 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.270 3.239 8.616 1.00 0.00 C ATOM 0 H VAL A 9 65.187 5.009 10.422 1.00 0.00 H new ATOM 0 HA VAL A 9 62.691 3.579 10.805 1.00 0.00 H new ATOM 0 HB VAL A 9 65.614 2.822 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 9 64.710 0.673 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 9 64.344 0.881 11.124 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.076 1.159 9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.839 2.651 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.206 3.147 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.565 4.286 8.544 1.00 0.00 H new ATOM 142 N GLU A 10 64.939 3.236 13.162 1.00 0.00 N ATOM 143 CA GLU A 10 65.120 2.669 14.538 1.00 0.00 C ATOM 144 C GLU A 10 64.034 3.199 15.491 1.00 0.00 C ATOM 145 O GLU A 10 63.697 2.560 16.470 1.00 0.00 O ATOM 146 CB GLU A 10 66.509 3.134 14.988 1.00 0.00 C ATOM 147 CG GLU A 10 67.582 2.333 14.242 1.00 0.00 C ATOM 148 CD GLU A 10 68.854 2.256 15.090 1.00 0.00 C ATOM 149 OE1 GLU A 10 69.674 3.151 14.976 1.00 0.00 O ATOM 150 OE2 GLU A 10 68.986 1.300 15.838 1.00 0.00 O ATOM 0 H GLU A 10 65.688 3.854 12.848 1.00 0.00 H new ATOM 0 HA GLU A 10 65.035 1.582 14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 10 66.630 4.199 14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 10 66.620 2.997 16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 67.216 1.329 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 10 67.801 2.805 13.284 1.00 0.00 H new ATOM 157 N GLN A 11 63.481 4.357 15.205 1.00 0.00 N ATOM 158 CA GLN A 11 62.410 4.931 16.085 1.00 0.00 C ATOM 159 C GLN A 11 61.144 4.055 16.056 1.00 0.00 C ATOM 160 O GLN A 11 60.356 4.073 16.983 1.00 0.00 O ATOM 161 CB GLN A 11 62.109 6.312 15.496 1.00 0.00 C ATOM 162 CG GLN A 11 63.145 7.323 15.992 1.00 0.00 C ATOM 163 CD GLN A 11 62.494 8.257 17.014 1.00 0.00 C ATOM 164 OE1 GLN A 11 62.676 8.097 18.203 1.00 0.00 O ATOM 165 NE2 GLN A 11 61.736 9.232 16.599 1.00 0.00 N ATOM 0 H GLN A 11 63.726 4.930 14.398 1.00 0.00 H new ATOM 0 HA GLN A 11 62.730 4.983 17.126 1.00 0.00 H new ATOM 0 HB2 GLN A 11 62.126 6.265 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 11 61.108 6.631 15.786 1.00 0.00 H new ATOM 0 HG2 GLN A 11 63.989 6.803 16.444 1.00 0.00 H new ATOM 0 HG3 GLN A 11 63.537 7.899 15.154 1.00 0.00 H new ATOM 0 HE21 GLN A 11 61.582 9.368 15.600 1.00 0.00 H new ATOM 0 HE22 GLN A 11 61.297 9.859 17.273 1.00 0.00 H new ATOM 174 N LEU A 12 60.941 3.295 15.003 1.00 0.00 N ATOM 175 CA LEU A 12 59.723 2.424 14.924 1.00 0.00 C ATOM 176 C LEU A 12 59.721 1.401 16.066 1.00 0.00 C ATOM 177 O LEU A 12 60.729 0.784 16.361 1.00 0.00 O ATOM 178 CB LEU A 12 59.821 1.706 13.574 1.00 0.00 C ATOM 179 CG LEU A 12 59.364 2.643 12.454 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.067 2.260 11.151 1.00 0.00 C ATOM 181 CD2 LEU A 12 57.850 2.515 12.270 1.00 0.00 C ATOM 0 H LEU A 12 61.564 3.241 14.198 1.00 0.00 H new ATOM 0 HA LEU A 12 58.806 3.006 15.012 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.847 1.385 13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.204 0.808 13.584 1.00 0.00 H new ATOM 0 HG LEU A 12 59.615 3.671 12.715 1.00 0.00 H new ATOM 0 HD11 LEU A 12 59.742 2.927 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 12 61.146 2.347 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 12 59.815 1.232 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 57.523 3.182 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 12 57.601 1.487 12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 12 57.347 2.785 13.198 1.00 0.00 H new ATOM 193 N THR A 13 58.596 1.210 16.706 1.00 0.00 N ATOM 194 CA THR A 13 58.529 0.217 17.826 1.00 0.00 C ATOM 195 C THR A 13 58.446 -1.204 17.272 1.00 0.00 C ATOM 196 O THR A 13 58.173 -1.412 16.103 1.00 0.00 O ATOM 197 CB THR A 13 57.258 0.559 18.615 1.00 0.00 C ATOM 198 OG1 THR A 13 56.154 0.658 17.725 1.00 0.00 O ATOM 199 CG2 THR A 13 57.444 1.890 19.348 1.00 0.00 C ATOM 0 H THR A 13 57.722 1.696 16.504 1.00 0.00 H new ATOM 0 HA THR A 13 59.416 0.264 18.457 1.00 0.00 H new ATOM 0 HB THR A 13 57.067 -0.229 19.343 1.00 0.00 H new ATOM 0 HG1 THR A 13 55.344 0.875 18.232 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.538 2.128 19.906 1.00 0.00 H new ATOM 0 HG22 THR A 13 58.285 1.812 20.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 57.641 2.680 18.623 1.00 0.00 H new ATOM 207 N GLU A 14 58.683 -2.182 18.106 1.00 0.00 N ATOM 208 CA GLU A 14 58.624 -3.600 17.640 1.00 0.00 C ATOM 209 C GLU A 14 57.251 -3.904 17.022 1.00 0.00 C ATOM 210 O GLU A 14 57.134 -4.701 16.108 1.00 0.00 O ATOM 211 CB GLU A 14 58.859 -4.447 18.897 1.00 0.00 C ATOM 212 CG GLU A 14 60.197 -5.188 18.777 1.00 0.00 C ATOM 213 CD GLU A 14 61.352 -4.181 18.789 1.00 0.00 C ATOM 214 OE1 GLU A 14 61.713 -3.734 19.865 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.854 -3.874 17.721 1.00 0.00 O ATOM 0 H GLU A 14 58.915 -2.060 19.092 1.00 0.00 H new ATOM 0 HA GLU A 14 59.365 -3.811 16.869 1.00 0.00 H new ATOM 0 HB2 GLU A 14 58.863 -3.810 19.781 1.00 0.00 H new ATOM 0 HB3 GLU A 14 58.046 -5.162 19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 14 60.308 -5.892 19.601 1.00 0.00 H new ATOM 0 HG3 GLU A 14 60.219 -5.770 17.856 1.00 0.00 H new ATOM 222 N GLU A 15 56.215 -3.261 17.507 1.00 0.00 N ATOM 223 CA GLU A 15 54.844 -3.489 16.949 1.00 0.00 C ATOM 224 C GLU A 15 54.810 -3.077 15.475 1.00 0.00 C ATOM 225 O GLU A 15 54.416 -3.845 14.620 1.00 0.00 O ATOM 226 CB GLU A 15 53.912 -2.590 17.770 1.00 0.00 C ATOM 227 CG GLU A 15 53.923 -3.033 19.238 1.00 0.00 C ATOM 228 CD GLU A 15 54.728 -2.029 20.070 1.00 0.00 C ATOM 229 OE1 GLU A 15 55.935 -2.191 20.153 1.00 0.00 O ATOM 230 OE2 GLU A 15 54.124 -1.113 20.602 1.00 0.00 O ATOM 0 H GLU A 15 56.261 -2.585 18.269 1.00 0.00 H new ATOM 0 HA GLU A 15 54.547 -4.536 17.006 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.232 -1.551 17.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 52.898 -2.642 17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 15 52.903 -3.099 19.616 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.361 -4.027 19.325 1.00 0.00 H new ATOM 237 N GLN A 16 55.233 -1.871 15.175 1.00 0.00 N ATOM 238 CA GLN A 16 55.239 -1.407 13.752 1.00 0.00 C ATOM 239 C GLN A 16 56.225 -2.239 12.932 1.00 0.00 C ATOM 240 O GLN A 16 56.007 -2.509 11.769 1.00 0.00 O ATOM 241 CB GLN A 16 55.669 0.063 13.802 1.00 0.00 C ATOM 242 CG GLN A 16 54.482 0.923 14.244 1.00 0.00 C ATOM 243 CD GLN A 16 54.949 2.355 14.509 1.00 0.00 C ATOM 244 OE1 GLN A 16 54.916 3.189 13.628 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.385 2.680 15.695 1.00 0.00 N ATOM 0 H GLN A 16 55.574 -1.190 15.854 1.00 0.00 H new ATOM 0 HA GLN A 16 54.263 -1.518 13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 16 56.501 0.187 14.495 1.00 0.00 H new ATOM 0 HB3 GLN A 16 56.021 0.384 12.822 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.711 0.919 13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 16 54.034 0.504 15.145 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.414 1.981 16.437 1.00 0.00 H new ATOM 0 HE22 GLN A 16 55.697 3.633 15.880 1.00 0.00 H new ATOM 254 N LYS A 17 57.294 -2.661 13.546 1.00 0.00 N ATOM 255 CA LYS A 17 58.304 -3.501 12.828 1.00 0.00 C ATOM 256 C LYS A 17 57.660 -4.831 12.411 1.00 0.00 C ATOM 257 O LYS A 17 57.743 -5.236 11.266 1.00 0.00 O ATOM 258 CB LYS A 17 59.431 -3.727 13.840 1.00 0.00 C ATOM 259 CG LYS A 17 60.393 -2.535 13.809 1.00 0.00 C ATOM 260 CD LYS A 17 61.688 -2.908 14.535 1.00 0.00 C ATOM 261 CE LYS A 17 62.449 -1.637 14.931 1.00 0.00 C ATOM 262 NZ LYS A 17 62.202 -1.468 16.394 1.00 0.00 N ATOM 0 H LYS A 17 57.517 -2.461 14.521 1.00 0.00 H new ATOM 0 HA LYS A 17 58.678 -3.028 11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.017 -3.847 14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.967 -4.646 13.604 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.609 -2.254 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 17 59.932 -1.669 14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.460 -3.498 15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.310 -3.529 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.514 -1.735 14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.091 -0.774 14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.032 -1.025 16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.368 -0.863 16.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.033 -2.398 16.827 1.00 0.00 H new ATOM 276 N ASN A 18 56.991 -5.493 13.327 1.00 0.00 N ATOM 277 CA ASN A 18 56.307 -6.779 12.982 1.00 0.00 C ATOM 278 C ASN A 18 55.084 -6.481 12.100 1.00 0.00 C ATOM 279 O ASN A 18 54.724 -7.255 11.234 1.00 0.00 O ATOM 280 CB ASN A 18 55.879 -7.380 14.326 1.00 0.00 C ATOM 281 CG ASN A 18 55.392 -8.817 14.121 1.00 0.00 C ATOM 282 OD1 ASN A 18 56.145 -9.676 13.709 1.00 0.00 O ATOM 283 ND2 ASN A 18 54.153 -9.120 14.397 1.00 0.00 N ATOM 0 H ASN A 18 56.890 -5.197 14.298 1.00 0.00 H new ATOM 0 HA ASN A 18 56.948 -7.465 12.429 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.716 -7.366 15.024 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.086 -6.777 14.768 1.00 0.00 H new ATOM 0 HD21 ASN A 18 53.820 -10.075 14.266 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.517 -8.401 14.743 1.00 0.00 H new ATOM 290 N GLU A 19 54.459 -5.348 12.310 1.00 0.00 N ATOM 291 CA GLU A 19 53.273 -4.962 11.484 1.00 0.00 C ATOM 292 C GLU A 19 53.719 -4.713 10.034 1.00 0.00 C ATOM 293 O GLU A 19 53.061 -5.119 9.094 1.00 0.00 O ATOM 294 CB GLU A 19 52.750 -3.675 12.148 1.00 0.00 C ATOM 295 CG GLU A 19 52.142 -2.724 11.107 1.00 0.00 C ATOM 296 CD GLU A 19 52.058 -1.314 11.697 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.094 -1.041 12.392 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.960 -0.532 11.444 1.00 0.00 O ATOM 0 H GLU A 19 54.722 -4.669 13.024 1.00 0.00 H new ATOM 0 HA GLU A 19 52.501 -5.730 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 51.999 -3.928 12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.565 -3.174 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.752 -2.717 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.149 -3.069 10.818 1.00 0.00 H new ATOM 305 N PHE A 20 54.840 -4.056 9.853 1.00 0.00 N ATOM 306 CA PHE A 20 55.344 -3.786 8.470 1.00 0.00 C ATOM 307 C PHE A 20 55.835 -5.086 7.819 1.00 0.00 C ATOM 308 O PHE A 20 55.688 -5.277 6.628 1.00 0.00 O ATOM 309 CB PHE A 20 56.502 -2.792 8.640 1.00 0.00 C ATOM 310 CG PHE A 20 55.978 -1.373 8.558 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.116 -0.998 7.517 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.358 -0.431 9.522 1.00 0.00 C ATOM 313 CE1 PHE A 20 54.636 0.316 7.444 1.00 0.00 C ATOM 314 CE2 PHE A 20 55.877 0.882 9.448 1.00 0.00 C ATOM 315 CZ PHE A 20 55.017 1.256 8.410 1.00 0.00 C ATOM 0 H PHE A 20 55.428 -3.695 10.604 1.00 0.00 H new ATOM 0 HA PHE A 20 54.564 -3.384 7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 20 56.993 -2.953 9.600 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.252 -2.958 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 20 54.822 -1.722 6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.023 -0.718 10.323 1.00 0.00 H new ATOM 0 HE1 PHE A 20 53.972 0.604 6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.170 1.607 10.193 1.00 0.00 H new ATOM 0 HZ PHE A 20 54.647 2.269 8.353 1.00 0.00 H new ATOM 325 N LYS A 21 56.409 -5.984 8.590 1.00 0.00 N ATOM 326 CA LYS A 21 56.895 -7.273 8.003 1.00 0.00 C ATOM 327 C LYS A 21 55.706 -8.093 7.464 1.00 0.00 C ATOM 328 O LYS A 21 55.850 -8.847 6.523 1.00 0.00 O ATOM 329 CB LYS A 21 57.642 -7.994 9.144 1.00 0.00 C ATOM 330 CG LYS A 21 56.689 -8.860 9.980 1.00 0.00 C ATOM 331 CD LYS A 21 57.134 -10.323 9.914 1.00 0.00 C ATOM 332 CE LYS A 21 55.980 -11.230 10.356 1.00 0.00 C ATOM 333 NZ LYS A 21 55.181 -11.471 9.120 1.00 0.00 N ATOM 0 H LYS A 21 56.560 -5.879 9.593 1.00 0.00 H new ATOM 0 HA LYS A 21 57.560 -7.122 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.431 -8.619 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 58.125 -7.258 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.683 -8.517 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.670 -8.762 9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 21 57.440 -10.575 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.000 -10.480 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 21 56.352 -12.166 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 21 55.377 -10.753 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 54.701 -12.391 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 54.472 -10.718 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 55.812 -11.473 8.293 1.00 0.00 H new ATOM 347 N ALA A 22 54.528 -7.926 8.029 1.00 0.00 N ATOM 348 CA ALA A 22 53.334 -8.673 7.518 1.00 0.00 C ATOM 349 C ALA A 22 53.021 -8.198 6.096 1.00 0.00 C ATOM 350 O ALA A 22 52.787 -8.990 5.203 1.00 0.00 O ATOM 351 CB ALA A 22 52.191 -8.322 8.476 1.00 0.00 C ATOM 0 H ALA A 22 54.345 -7.307 8.819 1.00 0.00 H new ATOM 0 HA ALA A 22 53.493 -9.751 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.282 -8.835 8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.454 -8.635 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.022 -7.245 8.462 1.00 0.00 H new ATOM 357 N ALA A 23 53.051 -6.905 5.881 1.00 0.00 N ATOM 358 CA ALA A 23 52.795 -6.357 4.516 1.00 0.00 C ATOM 359 C ALA A 23 53.997 -6.674 3.614 1.00 0.00 C ATOM 360 O ALA A 23 53.846 -7.033 2.462 1.00 0.00 O ATOM 361 CB ALA A 23 52.647 -4.842 4.711 1.00 0.00 C ATOM 0 H ALA A 23 53.243 -6.204 6.597 1.00 0.00 H new ATOM 0 HA ALA A 23 51.909 -6.785 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.456 -4.368 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 51.814 -4.642 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.565 -4.439 5.138 1.00 0.00 H new ATOM 367 N PHE A 24 55.192 -6.551 4.147 1.00 0.00 N ATOM 368 CA PHE A 24 56.428 -6.849 3.353 1.00 0.00 C ATOM 369 C PHE A 24 56.413 -8.305 2.859 1.00 0.00 C ATOM 370 O PHE A 24 56.736 -8.581 1.720 1.00 0.00 O ATOM 371 CB PHE A 24 57.586 -6.617 4.334 1.00 0.00 C ATOM 372 CG PHE A 24 58.913 -6.854 3.645 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.565 -5.797 2.998 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.493 -8.129 3.657 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.794 -6.014 2.364 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.722 -8.346 3.023 1.00 0.00 C ATOM 377 CZ PHE A 24 61.372 -7.288 2.376 1.00 0.00 C ATOM 0 H PHE A 24 55.364 -6.254 5.107 1.00 0.00 H new ATOM 0 HA PHE A 24 56.512 -6.223 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.546 -5.599 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.487 -7.286 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.119 -4.813 2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.992 -8.945 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.296 -5.198 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.169 -9.329 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.320 -7.455 1.886 1.00 0.00 H new ATOM 387 N ASP A 25 56.038 -9.234 3.708 1.00 0.00 N ATOM 388 CA ASP A 25 56.000 -10.674 3.293 1.00 0.00 C ATOM 389 C ASP A 25 55.010 -10.879 2.132 1.00 0.00 C ATOM 390 O ASP A 25 55.312 -11.549 1.161 1.00 0.00 O ATOM 391 CB ASP A 25 55.532 -11.441 4.539 1.00 0.00 C ATOM 392 CG ASP A 25 56.721 -11.731 5.465 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.782 -12.063 4.960 1.00 0.00 O ATOM 394 OD2 ASP A 25 56.545 -11.626 6.668 1.00 0.00 O ATOM 0 H ASP A 25 55.756 -9.056 4.672 1.00 0.00 H new ATOM 0 HA ASP A 25 56.972 -11.020 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.781 -10.858 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 25 55.058 -12.376 4.242 1.00 0.00 H new ATOM 399 N ILE A 26 53.834 -10.305 2.228 1.00 0.00 N ATOM 400 CA ILE A 26 52.820 -10.462 1.133 1.00 0.00 C ATOM 401 C ILE A 26 53.208 -9.625 -0.102 1.00 0.00 C ATOM 402 O ILE A 26 52.758 -9.891 -1.201 1.00 0.00 O ATOM 403 CB ILE A 26 51.497 -9.965 1.738 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.024 -10.949 2.815 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.426 -9.869 0.644 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.049 -10.248 3.768 1.00 0.00 C ATOM 0 H ILE A 26 53.531 -9.734 3.017 1.00 0.00 H new ATOM 0 HA ILE A 26 52.749 -11.494 0.791 1.00 0.00 H new ATOM 0 HB ILE A 26 51.656 -8.981 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.538 -11.806 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.879 -11.331 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.491 -9.516 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.754 -9.170 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.271 -10.852 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.716 -10.952 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.549 -9.405 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.187 -9.888 3.206 1.00 0.00 H new ATOM 418 N PHE A 27 54.033 -8.617 0.065 1.00 0.00 N ATOM 419 CA PHE A 27 54.435 -7.768 -1.107 1.00 0.00 C ATOM 420 C PHE A 27 55.356 -8.528 -2.076 1.00 0.00 C ATOM 421 O PHE A 27 55.609 -8.067 -3.173 1.00 0.00 O ATOM 422 CB PHE A 27 55.176 -6.569 -0.506 1.00 0.00 C ATOM 423 CG PHE A 27 54.378 -5.312 -0.760 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.238 -4.822 -2.065 1.00 0.00 C ATOM 425 CD2 PHE A 27 53.772 -4.641 0.308 1.00 0.00 C ATOM 426 CE1 PHE A 27 53.492 -3.661 -2.300 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.025 -3.481 0.072 1.00 0.00 C ATOM 428 CZ PHE A 27 52.885 -2.991 -1.232 1.00 0.00 C ATOM 0 H PHE A 27 54.445 -8.345 0.958 1.00 0.00 H new ATOM 0 HA PHE A 27 53.562 -7.471 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.318 -6.714 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.168 -6.480 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.705 -5.340 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.881 -5.018 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.385 -3.282 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.556 -2.964 0.896 1.00 0.00 H new ATOM 0 HZ PHE A 27 52.309 -2.096 -1.414 1.00 0.00 H new ATOM 438 N VAL A 28 55.859 -9.680 -1.695 1.00 0.00 N ATOM 439 CA VAL A 28 56.757 -10.443 -2.621 1.00 0.00 C ATOM 440 C VAL A 28 56.272 -11.889 -2.792 1.00 0.00 C ATOM 441 O VAL A 28 56.197 -12.386 -3.899 1.00 0.00 O ATOM 442 CB VAL A 28 58.165 -10.408 -1.994 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.763 -9.013 -2.169 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.113 -10.744 -0.497 1.00 0.00 C ATOM 0 H VAL A 28 55.688 -10.121 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 28 56.759 -9.996 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 28 58.781 -11.153 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.759 -8.986 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.831 -8.777 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.126 -8.279 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.120 -10.712 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.485 -10.017 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.697 -11.742 -0.362 1.00 0.00 H new ATOM 454 N LEU A 29 55.945 -12.569 -1.711 1.00 0.00 N ATOM 455 CA LEU A 29 55.469 -13.992 -1.810 1.00 0.00 C ATOM 456 C LEU A 29 56.400 -14.813 -2.719 1.00 0.00 C ATOM 457 O LEU A 29 55.955 -15.634 -3.501 1.00 0.00 O ATOM 458 CB LEU A 29 54.064 -13.909 -2.418 1.00 0.00 C ATOM 459 CG LEU A 29 53.101 -13.268 -1.418 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.975 -12.562 -2.175 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.502 -14.352 -0.520 1.00 0.00 C ATOM 0 H LEU A 29 55.988 -12.197 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 29 55.463 -14.485 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 29 54.090 -13.324 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.714 -14.906 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 29 53.642 -12.545 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.288 -12.105 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.397 -11.790 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.436 -13.287 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.815 -13.895 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.962 -15.074 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.301 -14.860 0.020 1.00 0.00 H new ATOM 473 N GLY A 30 57.689 -14.590 -2.628 1.00 0.00 N ATOM 474 CA GLY A 30 58.649 -15.341 -3.492 1.00 0.00 C ATOM 475 C GLY A 30 58.780 -14.636 -4.849 1.00 0.00 C ATOM 476 O GLY A 30 58.848 -15.276 -5.880 1.00 0.00 O ATOM 0 H GLY A 30 58.117 -13.918 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 30 59.623 -15.399 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.302 -16.364 -3.634 1.00 0.00 H new ATOM 480 N ALA A 31 58.814 -13.320 -4.852 1.00 0.00 N ATOM 481 CA ALA A 31 58.938 -12.559 -6.140 1.00 0.00 C ATOM 482 C ALA A 31 60.192 -13.004 -6.908 1.00 0.00 C ATOM 483 O ALA A 31 60.104 -13.563 -7.985 1.00 0.00 O ATOM 484 CB ALA A 31 59.059 -11.088 -5.721 1.00 0.00 C ATOM 0 H ALA A 31 58.761 -12.740 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 31 58.088 -12.729 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.154 -10.463 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.169 -10.794 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.940 -10.960 -5.092 1.00 0.00 H new ATOM 524 N CYS A 35 63.053 -9.862 -1.767 1.00 0.00 N ATOM 525 CA CYS A 35 63.023 -8.366 -1.742 1.00 0.00 C ATOM 526 C CYS A 35 61.932 -7.834 -2.682 1.00 0.00 C ATOM 527 O CYS A 35 61.443 -8.544 -3.542 1.00 0.00 O ATOM 528 CB CYS A 35 64.407 -7.936 -2.242 1.00 0.00 C ATOM 529 SG CYS A 35 65.654 -8.280 -0.977 1.00 0.00 S ATOM 0 HA CYS A 35 62.802 -7.978 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.653 -8.468 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.403 -6.872 -2.481 1.00 0.00 H new ATOM 0 HG CYS A 35 66.824 -7.914 -1.410 1.00 0.00 H new ATOM 535 N ILE A 36 61.557 -6.587 -2.532 1.00 0.00 N ATOM 536 CA ILE A 36 60.505 -6.005 -3.425 1.00 0.00 C ATOM 537 C ILE A 36 61.166 -5.229 -4.573 1.00 0.00 C ATOM 538 O ILE A 36 62.095 -4.471 -4.367 1.00 0.00 O ATOM 539 CB ILE A 36 59.684 -5.059 -2.535 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.986 -5.861 -1.427 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.624 -4.350 -3.385 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.635 -4.931 -0.262 1.00 0.00 C ATOM 0 H ILE A 36 61.933 -5.948 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 36 59.876 -6.774 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 36 60.351 -4.323 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.082 -6.329 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.636 -6.664 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.041 -3.679 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.113 -3.775 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 36 57.963 -5.091 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.140 -5.502 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.547 -4.484 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.968 -4.143 -0.613 1.00 0.00 H new ATOM 554 N SER A 37 60.692 -5.411 -5.779 1.00 0.00 N ATOM 555 CA SER A 37 61.290 -4.681 -6.940 1.00 0.00 C ATOM 556 C SER A 37 60.265 -3.711 -7.550 1.00 0.00 C ATOM 557 O SER A 37 59.153 -3.585 -7.070 1.00 0.00 O ATOM 558 CB SER A 37 61.672 -5.772 -7.944 1.00 0.00 C ATOM 559 OG SER A 37 60.545 -6.094 -8.750 1.00 0.00 O ATOM 0 H SER A 37 59.917 -6.033 -6.011 1.00 0.00 H new ATOM 0 HA SER A 37 62.152 -4.080 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.495 -5.431 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.020 -6.660 -7.417 1.00 0.00 H new ATOM 0 HG SER A 37 60.036 -6.817 -8.327 1.00 0.00 H new ATOM 565 N THR A 38 60.635 -3.032 -8.608 1.00 0.00 N ATOM 566 CA THR A 38 59.688 -2.069 -9.264 1.00 0.00 C ATOM 567 C THR A 38 58.488 -2.819 -9.862 1.00 0.00 C ATOM 568 O THR A 38 57.368 -2.343 -9.817 1.00 0.00 O ATOM 569 CB THR A 38 60.499 -1.387 -10.374 1.00 0.00 C ATOM 570 OG1 THR A 38 61.065 -2.374 -11.225 1.00 0.00 O ATOM 571 CG2 THR A 38 61.619 -0.547 -9.756 1.00 0.00 C ATOM 0 H THR A 38 61.552 -3.101 -9.048 1.00 0.00 H new ATOM 0 HA THR A 38 59.289 -1.347 -8.552 1.00 0.00 H new ATOM 0 HB THR A 38 59.840 -0.740 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.581 -1.937 -11.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.192 -0.065 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.187 0.214 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.277 -1.191 -9.173 1.00 0.00 H new ATOM 579 N LYS A 39 58.715 -3.989 -10.413 1.00 0.00 N ATOM 580 CA LYS A 39 57.589 -4.782 -11.009 1.00 0.00 C ATOM 581 C LYS A 39 56.576 -5.159 -9.919 1.00 0.00 C ATOM 582 O LYS A 39 55.381 -5.181 -10.151 1.00 0.00 O ATOM 583 CB LYS A 39 58.233 -6.049 -11.588 1.00 0.00 C ATOM 584 CG LYS A 39 59.293 -5.680 -12.634 1.00 0.00 C ATOM 585 CD LYS A 39 60.285 -6.839 -12.785 1.00 0.00 C ATOM 586 CE LYS A 39 61.272 -6.833 -11.609 1.00 0.00 C ATOM 587 NZ LYS A 39 60.933 -8.043 -10.804 1.00 0.00 N ATOM 0 H LYS A 39 59.632 -4.430 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 39 57.056 -4.215 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.690 -6.631 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.468 -6.678 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.817 -5.468 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.818 -4.774 -12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.749 -7.787 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 60.826 -6.747 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 39 62.303 -6.871 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 39 61.171 -5.925 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 60.728 -7.762 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 60.097 -8.509 -11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 61.737 -8.703 -10.814 1.00 0.00 H new ATOM 601 N GLU A 40 57.050 -5.459 -8.735 1.00 0.00 N ATOM 602 CA GLU A 40 56.128 -5.839 -7.620 1.00 0.00 C ATOM 603 C GLU A 40 55.433 -4.594 -7.042 1.00 0.00 C ATOM 604 O GLU A 40 54.341 -4.678 -6.511 1.00 0.00 O ATOM 605 CB GLU A 40 57.034 -6.497 -6.571 1.00 0.00 C ATOM 606 CG GLU A 40 57.152 -8.006 -6.846 1.00 0.00 C ATOM 607 CD GLU A 40 57.544 -8.252 -8.308 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.707 -8.075 -8.630 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.672 -8.611 -9.081 1.00 0.00 O ATOM 0 H GLU A 40 58.041 -5.457 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 40 55.333 -6.507 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.022 -6.037 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.627 -6.332 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.898 -8.446 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.203 -8.497 -6.629 1.00 0.00 H new ATOM 616 N LEU A 41 56.051 -3.438 -7.145 1.00 0.00 N ATOM 617 CA LEU A 41 55.417 -2.191 -6.608 1.00 0.00 C ATOM 618 C LEU A 41 54.199 -1.807 -7.462 1.00 0.00 C ATOM 619 O LEU A 41 53.128 -1.550 -6.945 1.00 0.00 O ATOM 620 CB LEU A 41 56.510 -1.108 -6.696 1.00 0.00 C ATOM 621 CG LEU A 41 55.893 0.295 -6.559 1.00 0.00 C ATOM 622 CD1 LEU A 41 54.901 0.332 -5.391 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.004 1.317 -6.309 1.00 0.00 C ATOM 0 H LEU A 41 56.965 -3.306 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 41 55.060 -2.318 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.249 -1.265 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.035 -1.189 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 41 55.364 0.537 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.474 1.331 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.104 -0.390 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.419 0.081 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.568 2.311 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 41 57.534 1.061 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.702 1.307 -7.146 1.00 0.00 H new ATOM 635 N GLY A 42 54.362 -1.758 -8.763 1.00 0.00 N ATOM 636 CA GLY A 42 53.225 -1.379 -9.660 1.00 0.00 C ATOM 637 C GLY A 42 52.009 -2.285 -9.412 1.00 0.00 C ATOM 638 O GLY A 42 50.879 -1.853 -9.540 1.00 0.00 O ATOM 0 H GLY A 42 55.238 -1.965 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.950 -0.339 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.536 -1.457 -10.702 1.00 0.00 H new ATOM 642 N LYS A 43 52.230 -3.531 -9.058 1.00 0.00 N ATOM 643 CA LYS A 43 51.083 -4.463 -8.798 1.00 0.00 C ATOM 644 C LYS A 43 50.127 -3.858 -7.757 1.00 0.00 C ATOM 645 O LYS A 43 48.926 -3.827 -7.953 1.00 0.00 O ATOM 646 CB LYS A 43 51.722 -5.751 -8.262 1.00 0.00 C ATOM 647 CG LYS A 43 51.750 -6.815 -9.366 1.00 0.00 C ATOM 648 CD LYS A 43 53.076 -7.579 -9.307 1.00 0.00 C ATOM 649 CE LYS A 43 53.268 -8.373 -10.604 1.00 0.00 C ATOM 650 NZ LYS A 43 54.697 -8.167 -10.983 1.00 0.00 N ATOM 0 H LYS A 43 53.155 -3.943 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 43 50.494 -4.648 -9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.735 -5.548 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.158 -6.118 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.915 -7.505 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.633 -6.344 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 43 53.903 -6.883 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.081 -8.254 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.049 -9.430 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.598 -8.017 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.883 -8.626 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.892 -7.148 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 55.313 -8.583 -10.255 1.00 0.00 H new ATOM 664 N VAL A 44 50.652 -3.365 -6.658 1.00 0.00 N ATOM 665 CA VAL A 44 49.770 -2.749 -5.613 1.00 0.00 C ATOM 666 C VAL A 44 49.439 -1.294 -5.992 1.00 0.00 C ATOM 667 O VAL A 44 48.397 -0.778 -5.634 1.00 0.00 O ATOM 668 CB VAL A 44 50.572 -2.810 -4.302 1.00 0.00 C ATOM 669 CG1 VAL A 44 49.748 -2.200 -3.161 1.00 0.00 C ATOM 670 CG2 VAL A 44 50.890 -4.270 -3.961 1.00 0.00 C ATOM 0 H VAL A 44 51.648 -3.362 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 44 48.820 -3.274 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 44 51.498 -2.249 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 44 50.320 -2.245 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 49.517 -1.161 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 48.820 -2.760 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.458 -4.311 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 49.960 -4.827 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.478 -4.712 -4.766 1.00 0.00 H new ATOM 680 N MET A 45 50.314 -0.634 -6.722 1.00 0.00 N ATOM 681 CA MET A 45 50.049 0.786 -7.134 1.00 0.00 C ATOM 682 C MET A 45 48.723 0.897 -7.911 1.00 0.00 C ATOM 683 O MET A 45 48.055 1.912 -7.856 1.00 0.00 O ATOM 684 CB MET A 45 51.224 1.168 -8.043 1.00 0.00 C ATOM 685 CG MET A 45 52.411 1.635 -7.196 1.00 0.00 C ATOM 686 SD MET A 45 52.556 3.437 -7.298 1.00 0.00 S ATOM 687 CE MET A 45 53.701 3.647 -5.913 1.00 0.00 C ATOM 0 H MET A 45 51.200 -1.018 -7.050 1.00 0.00 H new ATOM 0 HA MET A 45 49.963 1.443 -6.268 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.516 0.313 -8.653 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.922 1.960 -8.728 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.274 1.329 -6.159 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.329 1.165 -7.548 1.00 0.00 H new ATOM 0 HE1 MET A 45 53.961 4.701 -5.813 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.228 3.301 -4.994 1.00 0.00 H new ATOM 0 HE3 MET A 45 54.605 3.066 -6.097 1.00 0.00 H new ATOM 697 N ARG A 46 48.344 -0.134 -8.637 1.00 0.00 N ATOM 698 CA ARG A 46 47.064 -0.086 -9.427 1.00 0.00 C ATOM 699 C ARG A 46 45.865 0.297 -8.545 1.00 0.00 C ATOM 700 O ARG A 46 44.896 0.852 -9.025 1.00 0.00 O ATOM 701 CB ARG A 46 46.872 -1.502 -9.987 1.00 0.00 C ATOM 702 CG ARG A 46 47.320 -1.549 -11.452 1.00 0.00 C ATOM 703 CD ARG A 46 46.415 -0.654 -12.310 1.00 0.00 C ATOM 704 NE ARG A 46 45.128 -1.401 -12.442 1.00 0.00 N ATOM 705 CZ ARG A 46 43.993 -0.758 -12.398 1.00 0.00 C ATOM 706 NH1 ARG A 46 43.597 -0.210 -11.284 1.00 0.00 N ATOM 707 NH2 ARG A 46 43.257 -0.670 -13.469 1.00 0.00 N ATOM 0 H ARG A 46 48.866 -1.007 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 46 47.122 0.668 -10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.448 -2.216 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.825 -1.795 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.355 -1.218 -11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.283 -2.575 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.260 0.316 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.861 -0.465 -13.286 1.00 0.00 H new ATOM 0 HE ARG A 46 45.136 -2.413 -12.566 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.174 -0.283 -10.446 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.710 0.292 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.568 -1.103 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 46 42.369 -0.168 -13.438 1.00 0.00 H new ATOM 721 N MET A 47 45.914 0.004 -7.269 1.00 0.00 N ATOM 722 CA MET A 47 44.766 0.356 -6.376 1.00 0.00 C ATOM 723 C MET A 47 44.840 1.829 -5.947 1.00 0.00 C ATOM 724 O MET A 47 43.834 2.508 -5.876 1.00 0.00 O ATOM 725 CB MET A 47 44.903 -0.567 -5.161 1.00 0.00 C ATOM 726 CG MET A 47 43.688 -1.494 -5.085 1.00 0.00 C ATOM 727 SD MET A 47 42.999 -1.442 -3.413 1.00 0.00 S ATOM 728 CE MET A 47 43.808 -2.936 -2.795 1.00 0.00 C ATOM 0 H MET A 47 46.696 -0.462 -6.808 1.00 0.00 H new ATOM 0 HA MET A 47 43.808 0.228 -6.880 1.00 0.00 H new ATOM 0 HB2 MET A 47 45.818 -1.155 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 47 44.980 0.024 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 47 42.935 -1.186 -5.811 1.00 0.00 H new ATOM 0 HG3 MET A 47 43.978 -2.513 -5.340 1.00 0.00 H new ATOM 0 HE1 MET A 47 43.520 -3.103 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 47 43.503 -3.791 -3.398 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.890 -2.816 -2.857 1.00 0.00 H new ATOM 738 N LEU A 48 46.018 2.326 -5.658 1.00 0.00 N ATOM 739 CA LEU A 48 46.150 3.749 -5.232 1.00 0.00 C ATOM 740 C LEU A 48 47.545 4.279 -5.584 1.00 0.00 C ATOM 741 O LEU A 48 48.522 3.956 -4.938 1.00 0.00 O ATOM 742 CB LEU A 48 45.947 3.726 -3.713 1.00 0.00 C ATOM 743 CG LEU A 48 44.683 4.509 -3.354 1.00 0.00 C ATOM 744 CD1 LEU A 48 44.363 4.314 -1.871 1.00 0.00 C ATOM 745 CD2 LEU A 48 44.913 5.996 -3.638 1.00 0.00 C ATOM 0 H LEU A 48 46.894 1.804 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 48 45.431 4.400 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 48 45.862 2.697 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.812 4.162 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 48 43.847 4.148 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 43.462 4.872 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.202 3.255 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 45.196 4.676 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 48 44.015 6.558 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 48 45.749 6.356 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 45.140 6.134 -4.695 1.00 0.00 H new ATOM 757 N GLY A 49 47.640 5.086 -6.609 1.00 0.00 N ATOM 758 CA GLY A 49 48.969 5.646 -7.016 1.00 0.00 C ATOM 759 C GLY A 49 49.241 5.312 -8.484 1.00 0.00 C ATOM 760 O GLY A 49 49.281 6.188 -9.325 1.00 0.00 O ATOM 0 H GLY A 49 46.853 5.384 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 48.979 6.726 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 49 49.757 5.232 -6.387 1.00 0.00 H new ATOM 764 N GLN A 50 49.426 4.044 -8.781 1.00 0.00 N ATOM 765 CA GLN A 50 49.700 3.586 -10.187 1.00 0.00 C ATOM 766 C GLN A 50 51.059 4.096 -10.681 1.00 0.00 C ATOM 767 O GLN A 50 51.381 5.263 -10.567 1.00 0.00 O ATOM 768 CB GLN A 50 48.564 4.146 -11.055 1.00 0.00 C ATOM 769 CG GLN A 50 47.498 3.065 -11.266 1.00 0.00 C ATOM 770 CD GLN A 50 46.178 3.508 -10.627 1.00 0.00 C ATOM 771 OE1 GLN A 50 45.222 3.789 -11.320 1.00 0.00 O ATOM 772 NE2 GLN A 50 46.080 3.581 -9.329 1.00 0.00 N ATOM 0 H GLN A 50 49.398 3.291 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 50 49.739 2.498 -10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.122 5.018 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.957 4.477 -12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 50 47.355 2.885 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 50 47.828 2.124 -10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 50 46.881 3.346 -8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 50 45.202 3.873 -8.899 1.00 0.00 H new ATOM 781 N ASN A 51 51.855 3.224 -11.242 1.00 0.00 N ATOM 782 CA ASN A 51 53.189 3.651 -11.760 1.00 0.00 C ATOM 783 C ASN A 51 53.100 3.900 -13.277 1.00 0.00 C ATOM 784 O ASN A 51 52.854 2.987 -14.042 1.00 0.00 O ATOM 785 CB ASN A 51 54.150 2.497 -11.427 1.00 0.00 C ATOM 786 CG ASN A 51 53.729 1.214 -12.153 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.673 0.673 -11.896 1.00 0.00 O ATOM 788 ND2 ASN A 51 54.522 0.698 -13.050 1.00 0.00 N ATOM 0 H ASN A 51 51.639 2.235 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 51 53.536 4.582 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 51 55.165 2.768 -11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 51 54.160 2.325 -10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 51 54.255 -0.159 -13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 51 55.410 1.151 -13.267 1.00 0.00 H new ATOM 795 N PRO A 52 53.291 5.140 -13.663 1.00 0.00 N ATOM 796 CA PRO A 52 53.218 5.513 -15.104 1.00 0.00 C ATOM 797 C PRO A 52 54.402 4.927 -15.887 1.00 0.00 C ATOM 798 O PRO A 52 54.252 4.481 -17.009 1.00 0.00 O ATOM 799 CB PRO A 52 53.273 7.040 -15.082 1.00 0.00 C ATOM 800 CG PRO A 52 53.957 7.380 -13.797 1.00 0.00 C ATOM 801 CD PRO A 52 53.593 6.300 -12.813 1.00 0.00 C ATOM 0 HA PRO A 52 52.324 5.129 -15.596 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.825 7.428 -15.938 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.273 7.472 -15.124 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.037 7.429 -13.935 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.637 8.357 -13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 52 54.414 6.091 -12.127 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.734 6.585 -12.205 1.00 0.00 H new ATOM 809 N THR A 53 55.574 4.927 -15.304 1.00 0.00 N ATOM 810 CA THR A 53 56.770 4.371 -16.013 1.00 0.00 C ATOM 811 C THR A 53 57.454 3.313 -15.136 1.00 0.00 C ATOM 812 O THR A 53 57.364 3.365 -13.923 1.00 0.00 O ATOM 813 CB THR A 53 57.716 5.565 -16.251 1.00 0.00 C ATOM 814 OG1 THR A 53 57.048 6.792 -15.975 1.00 0.00 O ATOM 815 CG2 THR A 53 58.181 5.568 -17.707 1.00 0.00 C ATOM 0 H THR A 53 55.756 5.288 -14.367 1.00 0.00 H new ATOM 0 HA THR A 53 56.495 3.890 -16.952 1.00 0.00 H new ATOM 0 HB THR A 53 58.573 5.467 -15.585 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.662 7.540 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 53 58.850 6.413 -17.874 1.00 0.00 H new ATOM 0 HG22 THR A 53 58.709 4.639 -17.922 1.00 0.00 H new ATOM 0 HG23 THR A 53 57.316 5.654 -18.365 1.00 0.00 H new ATOM 823 N PRO A 54 58.124 2.384 -15.780 1.00 0.00 N ATOM 824 CA PRO A 54 58.835 1.306 -15.041 1.00 0.00 C ATOM 825 C PRO A 54 60.063 1.875 -14.315 1.00 0.00 C ATOM 826 O PRO A 54 60.298 1.582 -13.158 1.00 0.00 O ATOM 827 CB PRO A 54 59.238 0.324 -16.140 1.00 0.00 C ATOM 828 CG PRO A 54 59.289 1.140 -17.393 1.00 0.00 C ATOM 829 CD PRO A 54 58.284 2.253 -17.235 1.00 0.00 C ATOM 0 HA PRO A 54 58.226 0.836 -14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 54 60.205 -0.131 -15.927 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.516 -0.488 -16.227 1.00 0.00 H new ATOM 0 HG2 PRO A 54 60.289 1.543 -17.550 1.00 0.00 H new ATOM 0 HG3 PRO A 54 59.052 0.527 -18.263 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.642 3.180 -17.682 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.339 2.009 -17.720 1.00 0.00 H new ATOM 837 N GLU A 55 60.834 2.701 -14.982 1.00 0.00 N ATOM 838 CA GLU A 55 62.036 3.306 -14.327 1.00 0.00 C ATOM 839 C GLU A 55 61.606 4.304 -13.239 1.00 0.00 C ATOM 840 O GLU A 55 62.374 4.630 -12.353 1.00 0.00 O ATOM 841 CB GLU A 55 62.789 4.030 -15.447 1.00 0.00 C ATOM 842 CG GLU A 55 63.898 3.123 -15.991 1.00 0.00 C ATOM 843 CD GLU A 55 63.954 3.237 -17.515 1.00 0.00 C ATOM 844 OE1 GLU A 55 63.215 2.520 -18.170 1.00 0.00 O ATOM 845 OE2 GLU A 55 64.733 4.040 -18.000 1.00 0.00 O ATOM 0 H GLU A 55 60.682 2.982 -15.951 1.00 0.00 H new ATOM 0 HA GLU A 55 62.657 2.552 -13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 55 62.100 4.299 -16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 55 63.217 4.959 -15.070 1.00 0.00 H new ATOM 0 HG2 GLU A 55 64.858 3.407 -15.560 1.00 0.00 H new ATOM 0 HG3 GLU A 55 63.711 2.089 -15.700 1.00 0.00 H new ATOM 852 N GLU A 56 60.382 4.785 -13.296 1.00 0.00 N ATOM 853 CA GLU A 56 59.897 5.754 -12.262 1.00 0.00 C ATOM 854 C GLU A 56 60.029 5.145 -10.859 1.00 0.00 C ATOM 855 O GLU A 56 60.439 5.808 -9.925 1.00 0.00 O ATOM 856 CB GLU A 56 58.423 6.003 -12.602 1.00 0.00 C ATOM 857 CG GLU A 56 57.994 7.365 -12.047 1.00 0.00 C ATOM 858 CD GLU A 56 58.091 8.424 -13.148 1.00 0.00 C ATOM 859 OE1 GLU A 56 59.201 8.755 -13.529 1.00 0.00 O ATOM 860 OE2 GLU A 56 57.052 8.883 -13.592 1.00 0.00 O ATOM 0 H GLU A 56 59.700 4.546 -14.016 1.00 0.00 H new ATOM 0 HA GLU A 56 60.475 6.678 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.278 5.976 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.802 5.214 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 56 56.972 7.310 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.629 7.642 -11.205 1.00 0.00 H new ATOM 867 N LEU A 57 59.697 3.885 -10.710 1.00 0.00 N ATOM 868 CA LEU A 57 59.815 3.234 -9.369 1.00 0.00 C ATOM 869 C LEU A 57 61.279 2.865 -9.086 1.00 0.00 C ATOM 870 O LEU A 57 61.677 2.742 -7.944 1.00 0.00 O ATOM 871 CB LEU A 57 58.947 1.971 -9.424 1.00 0.00 C ATOM 872 CG LEU A 57 57.587 2.274 -10.074 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.798 0.973 -10.232 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.793 3.250 -9.197 1.00 0.00 C ATOM 0 H LEU A 57 59.351 3.282 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 57 59.487 3.903 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.461 1.195 -9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.796 1.583 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 57 57.751 2.725 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.833 1.186 -10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.357 0.283 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.640 0.522 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.831 3.459 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.630 2.807 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.353 4.179 -9.087 1.00 0.00 H new ATOM 886 N GLN A 58 62.090 2.700 -10.114 1.00 0.00 N ATOM 887 CA GLN A 58 63.530 2.359 -9.886 1.00 0.00 C ATOM 888 C GLN A 58 64.186 3.471 -9.050 1.00 0.00 C ATOM 889 O GLN A 58 65.059 3.220 -8.245 1.00 0.00 O ATOM 890 CB GLN A 58 64.148 2.222 -11.296 1.00 0.00 C ATOM 891 CG GLN A 58 65.056 3.416 -11.633 1.00 0.00 C ATOM 892 CD GLN A 58 66.503 3.087 -11.250 1.00 0.00 C ATOM 893 OE1 GLN A 58 67.051 2.099 -11.694 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.150 3.880 -10.446 1.00 0.00 N ATOM 0 H GLN A 58 61.814 2.787 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 58 63.675 1.434 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.724 1.298 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.352 2.148 -12.037 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.994 3.644 -12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.720 4.304 -11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.692 4.711 -10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 58 68.115 3.671 -10.191 1.00 0.00 H new ATOM 903 N GLU A 59 63.736 4.694 -9.208 1.00 0.00 N ATOM 904 CA GLU A 59 64.296 5.810 -8.393 1.00 0.00 C ATOM 905 C GLU A 59 63.784 5.667 -6.955 1.00 0.00 C ATOM 906 O GLU A 59 64.523 5.827 -6.004 1.00 0.00 O ATOM 907 CB GLU A 59 63.765 7.093 -9.042 1.00 0.00 C ATOM 908 CG GLU A 59 64.940 7.963 -9.499 1.00 0.00 C ATOM 909 CD GLU A 59 65.679 7.281 -10.654 1.00 0.00 C ATOM 910 OE1 GLU A 59 65.191 7.351 -11.769 1.00 0.00 O ATOM 911 OE2 GLU A 59 66.720 6.699 -10.401 1.00 0.00 O ATOM 0 H GLU A 59 63.005 4.963 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 59 65.385 5.815 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.130 6.846 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 59 63.147 7.643 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 59 64.577 8.941 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.624 8.131 -8.667 1.00 0.00 H new ATOM 918 N MET A 60 62.520 5.333 -6.802 1.00 0.00 N ATOM 919 CA MET A 60 61.944 5.139 -5.436 1.00 0.00 C ATOM 920 C MET A 60 62.690 4.009 -4.711 1.00 0.00 C ATOM 921 O MET A 60 62.947 4.086 -3.524 1.00 0.00 O ATOM 922 CB MET A 60 60.476 4.754 -5.668 1.00 0.00 C ATOM 923 CG MET A 60 59.602 6.009 -5.601 1.00 0.00 C ATOM 924 SD MET A 60 58.248 5.865 -6.794 1.00 0.00 S ATOM 925 CE MET A 60 57.119 4.912 -5.749 1.00 0.00 C ATOM 0 H MET A 60 61.864 5.187 -7.569 1.00 0.00 H new ATOM 0 HA MET A 60 62.033 6.032 -4.818 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.365 4.272 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.155 4.034 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.203 6.134 -4.595 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.200 6.894 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.319 4.497 -6.362 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.666 4.101 -5.268 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.691 5.563 -4.987 1.00 0.00 H new ATOM 935 N ILE A 61 63.046 2.963 -5.422 1.00 0.00 N ATOM 936 CA ILE A 61 63.783 1.828 -4.781 1.00 0.00 C ATOM 937 C ILE A 61 65.239 2.231 -4.482 1.00 0.00 C ATOM 938 O ILE A 61 65.815 1.799 -3.504 1.00 0.00 O ATOM 939 CB ILE A 61 63.697 0.665 -5.792 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.547 -0.649 -5.023 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.954 0.594 -6.672 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.159 -1.770 -5.988 1.00 0.00 C ATOM 0 H ILE A 61 62.857 2.848 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 61 63.354 1.541 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 61 62.837 0.833 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.482 -0.896 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.787 -0.544 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.861 -0.236 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.063 1.526 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.831 0.441 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.053 -2.704 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.213 -1.524 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.934 -1.882 -6.746 1.00 0.00 H new ATOM 954 N ASP A 62 65.828 3.064 -5.309 1.00 0.00 N ATOM 955 CA ASP A 62 67.240 3.499 -5.063 1.00 0.00 C ATOM 956 C ASP A 62 67.297 4.517 -3.913 1.00 0.00 C ATOM 957 O ASP A 62 68.277 4.596 -3.198 1.00 0.00 O ATOM 958 CB ASP A 62 67.700 4.142 -6.377 1.00 0.00 C ATOM 959 CG ASP A 62 68.474 3.119 -7.211 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.881 2.126 -7.599 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.648 3.347 -7.448 1.00 0.00 O ATOM 0 H ASP A 62 65.392 3.460 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 62 67.879 2.664 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.838 4.504 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.330 5.007 -6.168 1.00 0.00 H new ATOM 966 N GLU A 63 66.251 5.292 -3.729 1.00 0.00 N ATOM 967 CA GLU A 63 66.236 6.305 -2.620 1.00 0.00 C ATOM 968 C GLU A 63 66.369 5.621 -1.249 1.00 0.00 C ATOM 969 O GLU A 63 66.835 6.218 -0.297 1.00 0.00 O ATOM 970 CB GLU A 63 64.874 6.998 -2.730 1.00 0.00 C ATOM 971 CG GLU A 63 64.949 8.140 -3.748 1.00 0.00 C ATOM 972 CD GLU A 63 63.592 8.845 -3.824 1.00 0.00 C ATOM 973 OE1 GLU A 63 62.724 8.345 -4.520 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.442 9.869 -3.179 1.00 0.00 O ATOM 0 H GLU A 63 65.406 5.267 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 63 67.067 7.005 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.114 6.278 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.574 7.386 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.724 8.850 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.224 7.750 -4.728 1.00 0.00 H new ATOM 981 N VAL A 64 65.957 4.381 -1.143 1.00 0.00 N ATOM 982 CA VAL A 64 66.052 3.659 0.169 1.00 0.00 C ATOM 983 C VAL A 64 67.082 2.515 0.102 1.00 0.00 C ATOM 984 O VAL A 64 67.461 1.965 1.121 1.00 0.00 O ATOM 985 CB VAL A 64 64.642 3.105 0.434 1.00 0.00 C ATOM 986 CG1 VAL A 64 63.614 4.237 0.345 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.298 2.023 -0.598 1.00 0.00 C ATOM 0 H VAL A 64 65.559 3.836 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 64 66.385 4.324 0.966 1.00 0.00 H new ATOM 0 HB VAL A 64 64.618 2.669 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 64 62.617 3.839 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 64 63.847 4.999 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.646 4.680 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.298 1.637 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.331 2.452 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.021 1.210 -0.527 1.00 0.00 H new ATOM 997 N ASP A 65 67.533 2.153 -1.080 1.00 0.00 N ATOM 998 CA ASP A 65 68.532 1.044 -1.206 1.00 0.00 C ATOM 999 C ASP A 65 69.818 1.383 -0.441 1.00 0.00 C ATOM 1000 O ASP A 65 70.173 2.536 -0.283 1.00 0.00 O ATOM 1001 CB ASP A 65 68.815 0.925 -2.707 1.00 0.00 C ATOM 1002 CG ASP A 65 69.575 -0.374 -2.983 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.976 -1.426 -2.849 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.743 -0.296 -3.318 1.00 0.00 O ATOM 0 H ASP A 65 67.250 2.580 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 65 68.156 0.111 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.879 0.937 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.400 1.780 -3.046 1.00 0.00 H new ATOM 1009 N GLU A 66 70.509 0.384 0.043 1.00 0.00 N ATOM 1010 CA GLU A 66 71.766 0.642 0.809 1.00 0.00 C ATOM 1011 C GLU A 66 72.861 -0.385 0.461 1.00 0.00 C ATOM 1012 O GLU A 66 73.815 -0.545 1.198 1.00 0.00 O ATOM 1013 CB GLU A 66 71.347 0.503 2.276 1.00 0.00 C ATOM 1014 CG GLU A 66 72.147 1.485 3.137 1.00 0.00 C ATOM 1015 CD GLU A 66 72.218 0.967 4.576 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.214 1.046 5.263 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.275 0.500 4.964 1.00 0.00 O ATOM 0 H GLU A 66 70.258 -0.599 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 66 72.191 1.619 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 66 70.280 0.700 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 66 71.518 -0.518 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 66 73.152 1.603 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 66 71.677 2.468 3.117 1.00 0.00 H new ATOM 1024 N ASP A 67 72.742 -1.083 -0.646 1.00 0.00 N ATOM 1025 CA ASP A 67 73.794 -2.094 -1.005 1.00 0.00 C ATOM 1026 C ASP A 67 74.119 -2.099 -2.511 1.00 0.00 C ATOM 1027 O ASP A 67 74.939 -2.879 -2.961 1.00 0.00 O ATOM 1028 CB ASP A 67 73.229 -3.458 -0.565 1.00 0.00 C ATOM 1029 CG ASP A 67 71.769 -3.625 -1.005 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.431 -3.186 -2.092 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.011 -4.200 -0.246 1.00 0.00 O ATOM 0 H ASP A 67 71.972 -0.999 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 67 74.734 -1.857 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.833 -4.259 -0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 67 73.297 -3.550 0.519 1.00 0.00 H new ATOM 1036 N GLY A 68 73.502 -1.251 -3.297 1.00 0.00 N ATOM 1037 CA GLY A 68 73.803 -1.238 -4.762 1.00 0.00 C ATOM 1038 C GLY A 68 72.938 -2.269 -5.502 1.00 0.00 C ATOM 1039 O GLY A 68 72.813 -2.216 -6.710 1.00 0.00 O ATOM 0 H GLY A 68 72.807 -0.571 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 68 73.619 -0.243 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.858 -1.458 -4.924 1.00 0.00 H new ATOM 1043 N SER A 69 72.335 -3.204 -4.798 1.00 0.00 N ATOM 1044 CA SER A 69 71.477 -4.224 -5.481 1.00 0.00 C ATOM 1045 C SER A 69 70.228 -3.555 -6.076 1.00 0.00 C ATOM 1046 O SER A 69 69.671 -4.025 -7.050 1.00 0.00 O ATOM 1047 CB SER A 69 71.101 -5.240 -4.390 1.00 0.00 C ATOM 1048 OG SER A 69 69.799 -4.958 -3.879 1.00 0.00 O ATOM 0 H SER A 69 72.401 -3.302 -3.785 1.00 0.00 H new ATOM 0 HA SER A 69 71.993 -4.709 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.128 -6.250 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.832 -5.204 -3.582 1.00 0.00 H new ATOM 0 HG SER A 69 69.870 -4.322 -3.136 1.00 0.00 H new ATOM 1054 N GLY A 70 69.791 -2.459 -5.502 1.00 0.00 N ATOM 1055 CA GLY A 70 68.585 -1.753 -6.043 1.00 0.00 C ATOM 1056 C GLY A 70 67.307 -2.337 -5.429 1.00 0.00 C ATOM 1057 O GLY A 70 66.529 -1.624 -4.827 1.00 0.00 O ATOM 0 H GLY A 70 70.216 -2.023 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.649 -0.688 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.553 -1.852 -7.128 1.00 0.00 H new ATOM 1061 N THR A 71 67.083 -3.623 -5.585 1.00 0.00 N ATOM 1062 CA THR A 71 65.846 -4.266 -5.016 1.00 0.00 C ATOM 1063 C THR A 71 65.646 -3.846 -3.553 1.00 0.00 C ATOM 1064 O THR A 71 66.589 -3.773 -2.789 1.00 0.00 O ATOM 1065 CB THR A 71 66.086 -5.779 -5.116 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.874 -6.064 -6.266 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.743 -6.506 -5.233 1.00 0.00 C ATOM 0 H THR A 71 67.705 -4.259 -6.084 1.00 0.00 H new ATOM 0 HA THR A 71 64.949 -3.964 -5.556 1.00 0.00 H new ATOM 0 HB THR A 71 66.609 -6.118 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.027 -7.030 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.916 -7.580 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.136 -6.293 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.220 -6.163 -6.126 1.00 0.00 H new ATOM 1075 N VAL A 72 64.428 -3.552 -3.168 1.00 0.00 N ATOM 1076 CA VAL A 72 64.163 -3.108 -1.761 1.00 0.00 C ATOM 1077 C VAL A 72 64.203 -4.290 -0.776 1.00 0.00 C ATOM 1078 O VAL A 72 63.501 -5.274 -0.928 1.00 0.00 O ATOM 1079 CB VAL A 72 62.767 -2.445 -1.804 1.00 0.00 C ATOM 1080 CG1 VAL A 72 61.919 -2.854 -0.591 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.931 -0.923 -1.793 1.00 0.00 C ATOM 0 H VAL A 72 63.604 -3.600 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 72 64.926 -2.416 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 72 62.263 -2.774 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 72 60.943 -2.372 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 72 61.789 -3.936 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.422 -2.545 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.949 -0.451 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.452 -0.620 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.509 -0.613 -2.663 1.00 0.00 H new ATOM 1091 N ASP A 73 65.015 -4.173 0.244 1.00 0.00 N ATOM 1092 CA ASP A 73 65.116 -5.246 1.280 1.00 0.00 C ATOM 1093 C ASP A 73 64.226 -4.876 2.479 1.00 0.00 C ATOM 1094 O ASP A 73 63.458 -3.934 2.417 1.00 0.00 O ATOM 1095 CB ASP A 73 66.594 -5.257 1.691 1.00 0.00 C ATOM 1096 CG ASP A 73 67.415 -6.061 0.681 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.574 -5.592 -0.435 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.875 -7.129 1.043 1.00 0.00 O ATOM 0 H ASP A 73 65.621 -3.368 0.405 1.00 0.00 H new ATOM 0 HA ASP A 73 64.791 -6.221 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.971 -4.236 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.700 -5.691 2.685 1.00 0.00 H new ATOM 1103 N PHE A 74 64.321 -5.595 3.572 1.00 0.00 N ATOM 1104 CA PHE A 74 63.473 -5.255 4.761 1.00 0.00 C ATOM 1105 C PHE A 74 63.896 -3.898 5.346 1.00 0.00 C ATOM 1106 O PHE A 74 63.068 -3.043 5.605 1.00 0.00 O ATOM 1107 CB PHE A 74 63.709 -6.387 5.767 1.00 0.00 C ATOM 1108 CG PHE A 74 62.706 -6.285 6.896 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.331 -6.317 6.622 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.150 -6.162 8.219 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.406 -6.223 7.670 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.224 -6.067 9.265 1.00 0.00 C ATOM 1113 CZ PHE A 74 60.852 -6.099 8.989 1.00 0.00 C ATOM 0 H PHE A 74 64.942 -6.395 3.693 1.00 0.00 H new ATOM 0 HA PHE A 74 62.418 -5.168 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.615 -7.353 5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.723 -6.329 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.985 -6.414 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.208 -6.140 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.347 -6.246 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.568 -5.969 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.138 -6.028 9.796 1.00 0.00 H new ATOM 1123 N ASP A 75 65.178 -3.691 5.542 1.00 0.00 N ATOM 1124 CA ASP A 75 65.659 -2.385 6.097 1.00 0.00 C ATOM 1125 C ASP A 75 65.332 -1.243 5.122 1.00 0.00 C ATOM 1126 O ASP A 75 64.862 -0.192 5.520 1.00 0.00 O ATOM 1127 CB ASP A 75 67.179 -2.549 6.251 1.00 0.00 C ATOM 1128 CG ASP A 75 67.822 -1.187 6.536 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.770 -0.754 7.675 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.353 -0.601 5.608 1.00 0.00 O ATOM 0 H ASP A 75 65.912 -4.371 5.341 1.00 0.00 H new ATOM 0 HA ASP A 75 65.182 -2.138 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.399 -3.242 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.602 -2.978 5.342 1.00 0.00 H new ATOM 1135 N GLU A 76 65.574 -1.446 3.850 1.00 0.00 N ATOM 1136 CA GLU A 76 65.277 -0.379 2.842 1.00 0.00 C ATOM 1137 C GLU A 76 63.765 -0.129 2.762 1.00 0.00 C ATOM 1138 O GLU A 76 63.323 0.989 2.577 1.00 0.00 O ATOM 1139 CB GLU A 76 65.811 -0.920 1.518 1.00 0.00 C ATOM 1140 CG GLU A 76 67.330 -1.128 1.628 1.00 0.00 C ATOM 1141 CD GLU A 76 67.866 -1.888 0.408 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.076 -2.289 -0.430 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.070 -2.055 0.333 1.00 0.00 O ATOM 0 H GLU A 76 65.965 -2.306 3.465 1.00 0.00 H new ATOM 0 HA GLU A 76 65.738 0.574 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.320 -1.862 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.586 -0.224 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.829 -0.162 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.561 -1.683 2.538 1.00 0.00 H new ATOM 1150 N PHE A 77 62.966 -1.156 2.916 1.00 0.00 N ATOM 1151 CA PHE A 77 61.485 -0.964 2.870 1.00 0.00 C ATOM 1152 C PHE A 77 61.037 -0.140 4.086 1.00 0.00 C ATOM 1153 O PHE A 77 60.172 0.708 3.982 1.00 0.00 O ATOM 1154 CB PHE A 77 60.892 -2.376 2.921 1.00 0.00 C ATOM 1155 CG PHE A 77 59.395 -2.305 2.720 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.868 -2.063 1.445 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.533 -2.485 3.810 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.481 -2.000 1.260 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.147 -2.422 3.624 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.620 -2.180 2.350 1.00 0.00 C ATOM 0 H PHE A 77 63.275 -2.116 3.071 1.00 0.00 H new ATOM 0 HA PHE A 77 61.159 -0.429 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.344 -2.999 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.119 -2.842 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.531 -1.925 0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.938 -2.672 4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.075 -1.813 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.483 -2.560 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.550 -2.132 2.208 1.00 0.00 H new ATOM 1170 N LEU A 78 61.633 -0.377 5.233 1.00 0.00 N ATOM 1171 CA LEU A 78 61.256 0.397 6.459 1.00 0.00 C ATOM 1172 C LEU A 78 61.647 1.876 6.300 1.00 0.00 C ATOM 1173 O LEU A 78 60.876 2.762 6.621 1.00 0.00 O ATOM 1174 CB LEU A 78 62.038 -0.253 7.606 1.00 0.00 C ATOM 1175 CG LEU A 78 61.357 -1.561 8.024 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.279 -2.337 8.967 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.042 -1.250 8.744 1.00 0.00 C ATOM 0 H LEU A 78 62.365 -1.074 5.372 1.00 0.00 H new ATOM 0 HA LEU A 78 60.182 0.375 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.063 -0.450 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.089 0.428 8.455 1.00 0.00 H new ATOM 0 HG LEU A 78 61.152 -2.160 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 78 61.795 -3.267 9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.215 -2.562 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.484 -1.735 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.560 -2.182 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.246 -0.649 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.383 -0.697 8.075 1.00 0.00 H new ATOM 1189 N VAL A 79 62.828 2.152 5.793 1.00 0.00 N ATOM 1190 CA VAL A 79 63.249 3.581 5.599 1.00 0.00 C ATOM 1191 C VAL A 79 62.421 4.235 4.475 1.00 0.00 C ATOM 1192 O VAL A 79 62.378 5.443 4.349 1.00 0.00 O ATOM 1193 CB VAL A 79 64.743 3.533 5.238 1.00 0.00 C ATOM 1194 CG1 VAL A 79 64.937 2.924 3.850 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.316 4.951 5.248 1.00 0.00 C ATOM 0 H VAL A 79 63.515 1.455 5.507 1.00 0.00 H new ATOM 0 HA VAL A 79 63.084 4.180 6.495 1.00 0.00 H new ATOM 0 HB VAL A 79 65.261 2.916 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.000 2.897 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.537 1.910 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 79 64.413 3.530 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.375 4.917 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 79 64.786 5.563 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.196 5.385 6.241 1.00 0.00 H new ATOM 1205 N MET A 80 61.750 3.446 3.672 1.00 0.00 N ATOM 1206 CA MET A 80 60.908 4.017 2.579 1.00 0.00 C ATOM 1207 C MET A 80 59.603 4.567 3.175 1.00 0.00 C ATOM 1208 O MET A 80 59.102 5.592 2.752 1.00 0.00 O ATOM 1209 CB MET A 80 60.628 2.836 1.645 1.00 0.00 C ATOM 1210 CG MET A 80 60.288 3.348 0.244 1.00 0.00 C ATOM 1211 SD MET A 80 60.518 2.013 -0.957 1.00 0.00 S ATOM 1212 CE MET A 80 59.356 0.837 -0.220 1.00 0.00 C ATOM 0 H MET A 80 61.750 2.428 3.728 1.00 0.00 H new ATOM 0 HA MET A 80 61.392 4.839 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.499 2.182 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 80 59.802 2.241 2.035 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.258 3.704 0.215 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.926 4.195 -0.010 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.245 -0.025 -0.877 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.735 0.509 0.748 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.387 1.318 -0.086 1.00 0.00 H new ATOM 1222 N MET A 81 59.057 3.893 4.163 1.00 0.00 N ATOM 1223 CA MET A 81 57.787 4.370 4.801 1.00 0.00 C ATOM 1224 C MET A 81 58.041 5.661 5.598 1.00 0.00 C ATOM 1225 O MET A 81 57.283 6.608 5.506 1.00 0.00 O ATOM 1226 CB MET A 81 57.336 3.243 5.748 1.00 0.00 C ATOM 1227 CG MET A 81 57.397 1.878 5.046 1.00 0.00 C ATOM 1228 SD MET A 81 56.870 2.040 3.321 1.00 0.00 S ATOM 1229 CE MET A 81 55.298 1.168 3.493 1.00 0.00 C ATOM 0 H MET A 81 59.438 3.032 4.555 1.00 0.00 H new ATOM 0 HA MET A 81 57.026 4.593 4.053 1.00 0.00 H new ATOM 0 HB2 MET A 81 57.972 3.230 6.633 1.00 0.00 H new ATOM 0 HB3 MET A 81 56.319 3.435 6.090 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.412 1.484 5.089 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.756 1.165 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.354 0.211 2.974 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.091 0.997 4.549 1.00 0.00 H new ATOM 0 HE3 MET A 81 54.499 1.769 3.059 1.00 0.00 H new ATOM 1239 N VAL A 82 59.100 5.704 6.378 1.00 0.00 N ATOM 1240 CA VAL A 82 59.399 6.941 7.182 1.00 0.00 C ATOM 1241 C VAL A 82 59.586 8.160 6.262 1.00 0.00 C ATOM 1242 O VAL A 82 59.302 9.279 6.647 1.00 0.00 O ATOM 1243 CB VAL A 82 60.686 6.644 7.973 1.00 0.00 C ATOM 1244 CG1 VAL A 82 60.449 5.473 8.931 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.827 6.292 7.015 1.00 0.00 C ATOM 0 H VAL A 82 59.767 4.941 6.493 1.00 0.00 H new ATOM 0 HA VAL A 82 58.575 7.182 7.853 1.00 0.00 H new ATOM 0 HB VAL A 82 60.958 7.533 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 82 61.363 5.268 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 59.650 5.728 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 82 60.165 4.588 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.731 6.084 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 61.555 5.411 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.008 7.130 6.342 1.00 0.00 H new ATOM 1255 N ARG A 83 60.038 7.954 5.043 1.00 0.00 N ATOM 1256 CA ARG A 83 60.213 9.107 4.097 1.00 0.00 C ATOM 1257 C ARG A 83 58.871 9.833 3.915 1.00 0.00 C ATOM 1258 O ARG A 83 58.815 11.045 3.824 1.00 0.00 O ATOM 1259 CB ARG A 83 60.669 8.480 2.775 1.00 0.00 C ATOM 1260 CG ARG A 83 62.162 8.155 2.845 1.00 0.00 C ATOM 1261 CD ARG A 83 62.525 7.190 1.713 1.00 0.00 C ATOM 1262 NE ARG A 83 63.216 8.033 0.695 1.00 0.00 N ATOM 1263 CZ ARG A 83 62.565 8.461 -0.348 1.00 0.00 C ATOM 1264 NH1 ARG A 83 62.229 7.628 -1.293 1.00 0.00 N ATOM 1265 NH2 ARG A 83 62.244 9.718 -0.443 1.00 0.00 N ATOM 0 H ARG A 83 60.292 7.042 4.665 1.00 0.00 H new ATOM 0 HA ARG A 83 60.933 9.840 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 60.099 7.573 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 83 60.475 9.166 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 83 62.749 9.070 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 83 62.404 7.709 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.174 6.390 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 83 61.635 6.718 1.296 1.00 0.00 H new ATOM 0 HE ARG A 83 64.200 8.274 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.476 6.641 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 83 61.719 7.963 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 83 62.502 10.368 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 83 61.734 10.054 -1.260 1.00 0.00 H new ATOM 1279 N CYS A 84 57.791 9.091 3.886 1.00 0.00 N ATOM 1280 CA CYS A 84 56.440 9.713 3.738 1.00 0.00 C ATOM 1281 C CYS A 84 55.931 10.187 5.109 1.00 0.00 C ATOM 1282 O CYS A 84 55.169 11.131 5.205 1.00 0.00 O ATOM 1283 CB CYS A 84 55.552 8.593 3.187 1.00 0.00 C ATOM 1284 SG CYS A 84 54.026 9.298 2.515 1.00 0.00 S ATOM 0 H CYS A 84 57.789 8.074 3.959 1.00 0.00 H new ATOM 0 HA CYS A 84 56.447 10.584 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.083 8.044 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.317 7.880 3.977 1.00 0.00 H new ATOM 0 HG CYS A 84 53.277 8.344 2.047 1.00 0.00 H new ATOM 1290 N MET A 85 56.355 9.537 6.171 1.00 0.00 N ATOM 1291 CA MET A 85 55.908 9.938 7.542 1.00 0.00 C ATOM 1292 C MET A 85 56.768 11.096 8.083 1.00 0.00 C ATOM 1293 O MET A 85 57.315 11.021 9.168 1.00 0.00 O ATOM 1294 CB MET A 85 56.090 8.678 8.396 1.00 0.00 C ATOM 1295 CG MET A 85 54.941 7.703 8.127 1.00 0.00 C ATOM 1296 SD MET A 85 54.945 6.400 9.384 1.00 0.00 S ATOM 1297 CE MET A 85 56.501 5.611 8.903 1.00 0.00 C ATOM 0 H MET A 85 56.994 8.743 6.144 1.00 0.00 H new ATOM 0 HA MET A 85 54.878 10.295 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.044 8.204 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.115 8.944 9.453 1.00 0.00 H new ATOM 0 HG2 MET A 85 53.989 8.234 8.142 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.047 7.265 7.134 1.00 0.00 H new ATOM 0 HE1 MET A 85 56.459 4.548 9.140 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.657 5.738 7.832 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.326 6.072 9.447 1.00 0.00 H new ATOM 1475 N SER B 149 50.983 6.949 1.143 1.00 0.00 N ATOM 1476 CA SER B 149 50.484 6.687 2.539 1.00 0.00 C ATOM 1477 C SER B 149 50.733 5.226 2.946 1.00 0.00 C ATOM 1478 O SER B 149 49.935 4.346 2.677 1.00 0.00 O ATOM 1479 CB SER B 149 48.983 7.000 2.521 1.00 0.00 C ATOM 1480 OG SER B 149 48.485 6.967 3.855 1.00 0.00 O ATOM 0 HA SER B 149 51.008 7.305 3.267 1.00 0.00 H new ATOM 0 HB2 SER B 149 48.808 7.981 2.078 1.00 0.00 H new ATOM 0 HB3 SER B 149 48.455 6.273 1.904 1.00 0.00 H new ATOM 0 HG SER B 149 47.571 7.321 3.872 1.00 0.00 H new ATOM 1486 N ALA B 150 51.841 4.970 3.599 1.00 0.00 N ATOM 1487 CA ALA B 150 52.164 3.572 4.036 1.00 0.00 C ATOM 1488 C ALA B 150 51.051 3.006 4.933 1.00 0.00 C ATOM 1489 O ALA B 150 50.660 1.864 4.792 1.00 0.00 O ATOM 1490 CB ALA B 150 53.474 3.694 4.819 1.00 0.00 C ATOM 0 H ALA B 150 52.539 5.671 3.850 1.00 0.00 H new ATOM 0 HA ALA B 150 52.252 2.893 3.188 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.779 2.710 5.174 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.249 4.102 4.170 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.328 4.358 5.671 1.00 0.00 H new ATOM 1496 N ASP B 151 50.542 3.795 5.851 1.00 0.00 N ATOM 1497 CA ASP B 151 49.454 3.302 6.758 1.00 0.00 C ATOM 1498 C ASP B 151 48.198 2.942 5.951 1.00 0.00 C ATOM 1499 O ASP B 151 47.645 1.869 6.104 1.00 0.00 O ATOM 1500 CB ASP B 151 49.168 4.466 7.713 1.00 0.00 C ATOM 1501 CG ASP B 151 50.276 4.552 8.762 1.00 0.00 C ATOM 1502 OD1 ASP B 151 50.148 3.899 9.785 1.00 0.00 O ATOM 1503 OD2 ASP B 151 51.235 5.266 8.522 1.00 0.00 O ATOM 0 H ASP B 151 50.833 4.759 6.012 1.00 0.00 H new ATOM 0 HA ASP B 151 49.749 2.400 7.294 1.00 0.00 H new ATOM 0 HB2 ASP B 151 49.108 5.401 7.156 1.00 0.00 H new ATOM 0 HB3 ASP B 151 48.203 4.322 8.199 1.00 0.00 H new ATOM 1508 N ALA B 152 47.749 3.826 5.090 1.00 0.00 N ATOM 1509 CA ALA B 152 46.533 3.527 4.269 1.00 0.00 C ATOM 1510 C ALA B 152 46.799 2.329 3.347 1.00 0.00 C ATOM 1511 O ALA B 152 45.984 1.431 3.236 1.00 0.00 O ATOM 1512 CB ALA B 152 46.278 4.795 3.450 1.00 0.00 C ATOM 0 H ALA B 152 48.171 4.739 4.921 1.00 0.00 H new ATOM 0 HA ALA B 152 45.673 3.267 4.886 1.00 0.00 H new ATOM 0 HB1 ALA B 152 45.399 4.651 2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 152 46.109 5.635 4.123 1.00 0.00 H new ATOM 0 HB3 ALA B 152 47.144 5.002 2.821 1.00 0.00 H new ATOM 1518 N MET B 153 47.939 2.305 2.697 1.00 0.00 N ATOM 1519 CA MET B 153 48.270 1.160 1.792 1.00 0.00 C ATOM 1520 C MET B 153 48.375 -0.140 2.606 1.00 0.00 C ATOM 1521 O MET B 153 47.848 -1.165 2.218 1.00 0.00 O ATOM 1522 CB MET B 153 49.621 1.522 1.166 1.00 0.00 C ATOM 1523 CG MET B 153 50.006 0.466 0.126 1.00 0.00 C ATOM 1524 SD MET B 153 50.083 1.232 -1.511 1.00 0.00 S ATOM 1525 CE MET B 153 51.819 0.855 -1.859 1.00 0.00 C ATOM 0 H MET B 153 48.654 3.030 2.755 1.00 0.00 H new ATOM 0 HA MET B 153 47.506 0.997 1.032 1.00 0.00 H new ATOM 0 HB2 MET B 153 49.564 2.504 0.697 1.00 0.00 H new ATOM 0 HB3 MET B 153 50.387 1.581 1.939 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.970 0.026 0.379 1.00 0.00 H new ATOM 0 HG3 MET B 153 49.276 -0.343 0.127 1.00 0.00 H new ATOM 0 HE1 MET B 153 52.182 1.510 -2.651 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.413 1.012 -0.959 1.00 0.00 H new ATOM 0 HE3 MET B 153 51.909 -0.184 -2.177 1.00 0.00 H new ATOM 1535 N MET B 154 49.040 -0.098 3.738 1.00 0.00 N ATOM 1536 CA MET B 154 49.168 -1.324 4.588 1.00 0.00 C ATOM 1537 C MET B 154 47.776 -1.815 5.016 1.00 0.00 C ATOM 1538 O MET B 154 47.481 -2.994 4.956 1.00 0.00 O ATOM 1539 CB MET B 154 49.986 -0.883 5.806 1.00 0.00 C ATOM 1540 CG MET B 154 50.411 -2.110 6.617 1.00 0.00 C ATOM 1541 SD MET B 154 50.092 -1.812 8.374 1.00 0.00 S ATOM 1542 CE MET B 154 51.255 -0.442 8.592 1.00 0.00 C ATOM 0 H MET B 154 49.499 0.734 4.109 1.00 0.00 H new ATOM 0 HA MET B 154 49.647 -2.148 4.059 1.00 0.00 H new ATOM 0 HB2 MET B 154 50.866 -0.327 5.483 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.395 -0.211 6.428 1.00 0.00 H new ATOM 0 HG2 MET B 154 49.862 -2.989 6.281 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.470 -2.315 6.458 1.00 0.00 H new ATOM 0 HE1 MET B 154 50.973 0.138 9.471 1.00 0.00 H new ATOM 0 HE2 MET B 154 52.262 -0.837 8.726 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.231 0.199 7.711 1.00 0.00 H new ATOM 1552 N GLN B 155 46.916 -0.912 5.431 1.00 0.00 N ATOM 1553 CA GLN B 155 45.534 -1.312 5.850 1.00 0.00 C ATOM 1554 C GLN B 155 44.776 -1.930 4.662 1.00 0.00 C ATOM 1555 O GLN B 155 43.968 -2.822 4.829 1.00 0.00 O ATOM 1556 CB GLN B 155 44.865 -0.010 6.301 1.00 0.00 C ATOM 1557 CG GLN B 155 43.563 -0.333 7.040 1.00 0.00 C ATOM 1558 CD GLN B 155 42.367 0.072 6.177 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.012 1.230 6.114 1.00 0.00 O ATOM 1560 NE2 GLN B 155 41.724 -0.841 5.504 1.00 0.00 N ATOM 0 H GLN B 155 47.113 0.087 5.497 1.00 0.00 H new ATOM 0 HA GLN B 155 45.541 -2.061 6.642 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.536 0.549 6.953 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.658 0.623 5.438 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.516 -1.398 7.266 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.533 0.197 7.992 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.020 -1.816 5.555 1.00 0.00 H new ATOM 0 HE22 GLN B 155 40.925 -0.581 4.926 1.00 0.00 H new ATOM 1569 N ALA B 156 45.044 -1.463 3.467 1.00 0.00 N ATOM 1570 CA ALA B 156 44.357 -2.019 2.259 1.00 0.00 C ATOM 1571 C ALA B 156 44.873 -3.434 1.942 1.00 0.00 C ATOM 1572 O ALA B 156 44.179 -4.235 1.344 1.00 0.00 O ATOM 1573 CB ALA B 156 44.720 -1.056 1.124 1.00 0.00 C ATOM 0 H ALA B 156 45.712 -0.717 3.275 1.00 0.00 H new ATOM 0 HA ALA B 156 43.280 -2.103 2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 156 44.254 -1.393 0.198 1.00 0.00 H new ATOM 0 HB2 ALA B 156 44.362 -0.056 1.367 1.00 0.00 H new ATOM 0 HB3 ALA B 156 45.802 -1.033 0.998 1.00 0.00 H new ATOM 1579 N LEU B 157 46.089 -3.740 2.326 1.00 0.00 N ATOM 1580 CA LEU B 157 46.656 -5.093 2.036 1.00 0.00 C ATOM 1581 C LEU B 157 46.415 -6.062 3.204 1.00 0.00 C ATOM 1582 O LEU B 157 46.084 -7.213 2.997 1.00 0.00 O ATOM 1583 CB LEU B 157 48.156 -4.852 1.838 1.00 0.00 C ATOM 1584 CG LEU B 157 48.409 -4.339 0.418 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.726 -3.563 0.377 1.00 0.00 C ATOM 1586 CD2 LEU B 157 48.493 -5.525 -0.542 1.00 0.00 C ATOM 0 H LEU B 157 46.714 -3.109 2.829 1.00 0.00 H new ATOM 0 HA LEU B 157 46.188 -5.549 1.164 1.00 0.00 H new ATOM 0 HB2 LEU B 157 48.518 -4.127 2.567 1.00 0.00 H new ATOM 0 HB3 LEU B 157 48.709 -5.776 2.006 1.00 0.00 H new ATOM 0 HG LEU B 157 47.592 -3.682 0.121 1.00 0.00 H new ATOM 0 HD11 LEU B 157 49.903 -3.199 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU B 157 49.671 -2.717 1.062 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.544 -4.219 0.675 1.00 0.00 H new ATOM 0 HD21 LEU B 157 48.673 -5.162 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 157 49.310 -6.180 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU B 157 47.555 -6.080 -0.517 1.00 0.00 H new ATOM 1598 N LEU B 158 46.588 -5.614 4.424 1.00 0.00 N ATOM 1599 CA LEU B 158 46.379 -6.523 5.599 1.00 0.00 C ATOM 1600 C LEU B 158 44.974 -6.346 6.211 1.00 0.00 C ATOM 1601 O LEU B 158 44.644 -6.976 7.199 1.00 0.00 O ATOM 1602 CB LEU B 158 47.456 -6.118 6.615 1.00 0.00 C ATOM 1603 CG LEU B 158 48.854 -6.334 6.018 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.899 -5.661 6.910 1.00 0.00 C ATOM 1605 CD2 LEU B 158 49.152 -7.834 5.936 1.00 0.00 C ATOM 0 H LEU B 158 46.864 -4.661 4.659 1.00 0.00 H new ATOM 0 HA LEU B 158 46.453 -7.570 5.306 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.329 -5.072 6.894 1.00 0.00 H new ATOM 0 HB3 LEU B 158 47.347 -6.706 7.526 1.00 0.00 H new ATOM 0 HG LEU B 158 48.890 -5.900 5.019 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.892 -5.814 6.487 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.691 -4.593 6.971 1.00 0.00 H new ATOM 0 HD13 LEU B 158 49.859 -6.096 7.909 1.00 0.00 H new ATOM 0 HD21 LEU B 158 50.145 -7.985 5.512 1.00 0.00 H new ATOM 0 HD22 LEU B 158 49.114 -8.268 6.935 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.409 -8.318 5.302 1.00 0.00 H new