USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -166:sc= -1.68 (180deg=-2.17) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.642 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.266 K(o=0.27,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0923 K(o=-0.092,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= -0.351 K(o=-0.35,f=-2!) USER MOD Single : A 31 SER OG : rot 8:sc= 0.0167 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00237 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 136:sc= 0.4 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.844 11.024 2.254 1.00 0.00 N ATOM 2 CA VAL A 1 -6.233 10.525 3.474 1.00 0.00 C ATOM 3 C VAL A 1 -7.104 9.408 4.055 1.00 0.00 C ATOM 4 O VAL A 1 -6.740 8.789 5.054 1.00 0.00 O ATOM 5 CB VAL A 1 -6.005 11.677 4.454 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.070 11.253 5.589 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.466 12.913 3.732 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.156 11.604 1.733 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.140 10.223 1.661 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.674 11.603 2.493 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.253 10.097 3.264 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.968 11.940 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.924 12.090 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.511 10.416 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.108 10.951 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.313 13.717 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.518 12.670 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.183 13.234 2.976 1.00 0.00 H new ATOM 17 N THR A 2 -8.237 9.186 3.405 1.00 0.00 N ATOM 18 CA THR A 2 -9.162 8.155 3.845 1.00 0.00 C ATOM 19 C THR A 2 -8.755 6.795 3.275 1.00 0.00 C ATOM 20 O THR A 2 -7.902 6.113 3.838 1.00 0.00 O ATOM 21 CB THR A 2 -10.574 8.586 3.443 1.00 0.00 C ATOM 22 OG1 THR A 2 -10.726 9.875 4.031 1.00 0.00 O ATOM 23 CG2 THR A 2 -11.657 7.740 4.115 1.00 0.00 C ATOM 0 H THR A 2 -8.535 9.702 2.577 1.00 0.00 H new ATOM 0 HA THR A 2 -9.139 8.037 4.928 1.00 0.00 H new ATOM 0 HB THR A 2 -10.679 8.518 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.615 10.229 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.640 8.087 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.531 6.695 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.573 7.834 5.198 1.00 0.00 H new ATOM 31 N LEU A 3 -9.387 6.442 2.165 1.00 0.00 N ATOM 32 CA LEU A 3 -9.101 5.176 1.512 1.00 0.00 C ATOM 33 C LEU A 3 -8.058 5.395 0.416 1.00 0.00 C ATOM 34 O LEU A 3 -8.126 6.375 -0.324 1.00 0.00 O ATOM 35 CB LEU A 3 -10.394 4.528 1.011 1.00 0.00 C ATOM 36 CG LEU A 3 -11.066 3.543 1.969 1.00 0.00 C ATOM 37 CD1 LEU A 3 -12.538 3.342 1.605 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.302 2.218 2.019 1.00 0.00 C ATOM 0 H LEU A 3 -10.096 7.011 1.702 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.672 4.470 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.106 5.319 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.178 4.007 0.078 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.037 3.969 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.992 2.637 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.061 4.297 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.612 2.949 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.801 1.536 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.277 1.775 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.283 2.398 2.362 1.00 0.00 H new ATOM 50 N PHE A 4 -7.115 4.467 0.345 1.00 0.00 N ATOM 51 CA PHE A 4 -6.058 4.547 -0.649 1.00 0.00 C ATOM 52 C PHE A 4 -6.373 3.661 -1.857 1.00 0.00 C ATOM 53 O PHE A 4 -6.823 2.527 -1.698 1.00 0.00 O ATOM 54 CB PHE A 4 -4.777 4.043 0.018 1.00 0.00 C ATOM 55 CG PHE A 4 -3.885 5.156 0.571 1.00 0.00 C ATOM 56 CD1 PHE A 4 -3.314 6.055 -0.275 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.662 5.246 1.910 1.00 0.00 C ATOM 58 CE1 PHE A 4 -2.486 7.087 0.238 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.833 6.280 2.423 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.263 7.179 1.577 1.00 0.00 C ATOM 0 H PHE A 4 -7.061 3.655 0.960 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.956 5.573 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.044 3.368 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.207 3.461 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.491 5.983 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.115 4.532 2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.033 7.800 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.656 6.352 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.634 7.965 1.967 1.00 0.00 H new ATOM 70 N VAL A 5 -6.125 4.213 -3.035 1.00 0.00 N ATOM 71 CA VAL A 5 -6.376 3.485 -4.268 1.00 0.00 C ATOM 72 C VAL A 5 -5.081 3.406 -5.081 1.00 0.00 C ATOM 73 O VAL A 5 -4.307 4.361 -5.118 1.00 0.00 O ATOM 74 CB VAL A 5 -7.524 4.142 -5.038 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.868 3.524 -4.647 1.00 0.00 C ATOM 76 CG2 VAL A 5 -7.534 5.657 -4.822 1.00 0.00 C ATOM 0 H VAL A 5 -5.753 5.154 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.688 2.463 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.365 3.957 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.668 4.008 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.858 2.458 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.037 3.665 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.359 6.099 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.657 5.872 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.592 6.081 -5.171 1.00 0.00 H new ATOM 86 N ALA A 6 -4.886 2.257 -5.711 1.00 0.00 N ATOM 87 CA ALA A 6 -3.699 2.040 -6.520 1.00 0.00 C ATOM 88 C ALA A 6 -4.113 1.499 -7.892 1.00 0.00 C ATOM 89 O ALA A 6 -4.405 0.313 -8.032 1.00 0.00 O ATOM 90 CB ALA A 6 -2.746 1.095 -5.786 1.00 0.00 C ATOM 0 H ALA A 6 -5.530 1.467 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.169 2.979 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.856 0.932 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.459 1.537 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.244 0.141 -5.609 1.00 0.00 H new ATOM 96 N LEU A 7 -4.126 2.397 -8.866 1.00 0.00 N ATOM 97 CA LEU A 7 -4.499 2.026 -10.220 1.00 0.00 C ATOM 98 C LEU A 7 -3.365 1.217 -10.854 1.00 0.00 C ATOM 99 O LEU A 7 -3.533 0.643 -11.929 1.00 0.00 O ATOM 100 CB LEU A 7 -4.895 3.264 -11.025 1.00 0.00 C ATOM 101 CG LEU A 7 -6.143 3.125 -11.900 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.822 4.481 -12.106 1.00 0.00 C ATOM 103 CD2 LEU A 7 -5.809 2.443 -13.227 1.00 0.00 C ATOM 0 H LEU A 7 -3.884 3.380 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.381 1.385 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.053 4.089 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.057 3.541 -11.664 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.855 2.484 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.706 4.354 -12.731 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.117 4.891 -11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.128 5.165 -12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.713 2.357 -13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.070 3.036 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.406 1.449 -13.034 1.00 0.00 H new ATOM 115 N TYR A 8 -2.236 1.197 -10.160 1.00 0.00 N ATOM 116 CA TYR A 8 -1.076 0.467 -10.641 1.00 0.00 C ATOM 117 C TYR A 8 -0.599 -0.552 -9.604 1.00 0.00 C ATOM 118 O TYR A 8 -0.502 -0.238 -8.419 1.00 0.00 O ATOM 119 CB TYR A 8 0.022 1.514 -10.851 1.00 0.00 C ATOM 120 CG TYR A 8 -0.165 2.367 -12.108 1.00 0.00 C ATOM 121 CD1 TYR A 8 0.171 1.855 -13.345 1.00 0.00 C ATOM 122 CD2 TYR A 8 -0.668 3.648 -12.003 1.00 0.00 C ATOM 123 CE1 TYR A 8 -0.004 2.658 -14.527 1.00 0.00 C ATOM 124 CE2 TYR A 8 -0.843 4.451 -13.186 1.00 0.00 C ATOM 125 CZ TYR A 8 -0.503 3.916 -14.390 1.00 0.00 C ATOM 126 OH TYR A 8 -0.669 4.674 -15.507 1.00 0.00 O ATOM 0 H TYR A 8 -2.100 1.675 -9.269 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.317 -0.078 -11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.056 2.170 -9.981 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.986 1.009 -10.907 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.565 0.853 -13.426 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.930 4.048 -11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.255 2.270 -15.501 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.235 5.455 -13.119 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.034 5.548 -15.258 1.00 0.00 H new ATOM 136 N ASP A 9 -0.316 -1.752 -10.088 1.00 0.00 N ATOM 137 CA ASP A 9 0.147 -2.820 -9.218 1.00 0.00 C ATOM 138 C ASP A 9 1.677 -2.817 -9.185 1.00 0.00 C ATOM 139 O ASP A 9 2.316 -2.069 -9.923 1.00 0.00 O ATOM 140 CB ASP A 9 -0.313 -4.186 -9.730 1.00 0.00 C ATOM 141 CG ASP A 9 0.021 -4.474 -11.195 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.071 -3.558 -12.031 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.240 -5.715 -11.472 1.00 0.00 O ATOM 0 H ASP A 9 -0.398 -2.009 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.268 -2.650 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.140 -4.960 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.392 -4.262 -9.597 1.00 0.00 H new ATOM 149 N TYR A 10 2.220 -3.664 -8.323 1.00 0.00 N ATOM 150 CA TYR A 10 3.663 -3.769 -8.184 1.00 0.00 C ATOM 151 C TYR A 10 4.062 -5.139 -7.632 1.00 0.00 C ATOM 152 O TYR A 10 4.246 -5.296 -6.426 1.00 0.00 O ATOM 153 CB TYR A 10 4.069 -2.689 -7.179 1.00 0.00 C ATOM 154 CG TYR A 10 5.521 -2.226 -7.317 1.00 0.00 C ATOM 155 CD1 TYR A 10 5.875 -1.355 -8.327 1.00 0.00 C ATOM 156 CD2 TYR A 10 6.477 -2.681 -6.431 1.00 0.00 C ATOM 157 CE1 TYR A 10 7.241 -0.919 -8.456 1.00 0.00 C ATOM 158 CE2 TYR A 10 7.844 -2.246 -6.560 1.00 0.00 C ATOM 159 CZ TYR A 10 8.158 -1.387 -7.567 1.00 0.00 C ATOM 160 OH TYR A 10 9.448 -0.975 -7.689 1.00 0.00 O ATOM 0 H TYR A 10 1.687 -4.284 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 10 4.152 -3.646 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.411 -1.829 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.914 -3.070 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.127 -1.000 -9.021 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.200 -3.363 -5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.531 -0.236 -9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.602 -2.594 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 10 9.991 -1.388 -6.986 1.00 0.00 H new ATOM 170 N GLU A 11 4.184 -6.095 -8.541 1.00 0.00 N ATOM 171 CA GLU A 11 4.558 -7.446 -8.160 1.00 0.00 C ATOM 172 C GLU A 11 5.986 -7.466 -7.610 1.00 0.00 C ATOM 173 O GLU A 11 6.843 -6.715 -8.071 1.00 0.00 O ATOM 174 CB GLU A 11 4.411 -8.410 -9.340 1.00 0.00 C ATOM 175 CG GLU A 11 3.068 -9.138 -9.288 1.00 0.00 C ATOM 176 CD GLU A 11 2.168 -8.713 -10.451 1.00 0.00 C ATOM 177 OE1 GLU A 11 2.668 -8.431 -11.550 1.00 0.00 O ATOM 178 OE2 GLU A 11 0.907 -8.683 -10.182 1.00 0.00 O ATOM 0 H GLU A 11 4.030 -5.961 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 11 3.882 -7.781 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.494 -7.859 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.223 -9.136 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.232 -10.215 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.571 -8.924 -8.342 1.00 0.00 H new ATOM 186 N ALA A 12 6.198 -8.335 -6.632 1.00 0.00 N ATOM 187 CA ALA A 12 7.506 -8.463 -6.014 1.00 0.00 C ATOM 188 C ALA A 12 7.759 -9.931 -5.666 1.00 0.00 C ATOM 189 O ALA A 12 7.196 -10.827 -6.292 1.00 0.00 O ATOM 190 CB ALA A 12 7.583 -7.551 -4.787 1.00 0.00 C ATOM 0 H ALA A 12 5.485 -8.958 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 12 8.289 -8.148 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.565 -7.647 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.426 -6.516 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.814 -7.839 -4.071 1.00 0.00 H new ATOM 196 N ARG A 13 8.608 -10.131 -4.668 1.00 0.00 N ATOM 197 CA ARG A 13 8.943 -11.475 -4.229 1.00 0.00 C ATOM 198 C ARG A 13 9.842 -11.421 -2.992 1.00 0.00 C ATOM 199 O ARG A 13 10.964 -11.924 -3.014 1.00 0.00 O ATOM 200 CB ARG A 13 9.656 -12.254 -5.336 1.00 0.00 C ATOM 201 CG ARG A 13 8.802 -13.431 -5.816 1.00 0.00 C ATOM 202 CD ARG A 13 8.664 -14.491 -4.721 1.00 0.00 C ATOM 203 NE ARG A 13 7.275 -15.000 -4.681 1.00 0.00 N ATOM 204 CZ ARG A 13 6.394 -14.718 -3.699 1.00 0.00 C ATOM 205 NH1 ARG A 13 6.750 -13.925 -2.666 1.00 0.00 N ATOM 206 NH2 ARG A 13 5.178 -15.227 -3.765 1.00 0.00 N ATOM 0 H ARG A 13 9.074 -9.385 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 13 8.012 -11.985 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.870 -11.590 -6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.614 -12.621 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.814 -13.073 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.254 -13.876 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.356 -15.312 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.932 -14.064 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 13 6.964 -15.602 -5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.691 -13.534 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.078 -13.717 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.917 -15.824 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.500 -15.024 -3.031 1.00 0.00 H new ATOM 219 N THR A 14 9.316 -10.806 -1.944 1.00 0.00 N ATOM 220 CA THR A 14 10.057 -10.681 -0.701 1.00 0.00 C ATOM 221 C THR A 14 9.188 -11.106 0.484 1.00 0.00 C ATOM 222 O THR A 14 8.121 -11.689 0.298 1.00 0.00 O ATOM 223 CB THR A 14 10.564 -9.241 -0.597 1.00 0.00 C ATOM 224 OG1 THR A 14 10.092 -8.620 -1.789 1.00 0.00 O ATOM 225 CG2 THR A 14 12.087 -9.146 -0.705 1.00 0.00 C ATOM 0 H THR A 14 8.385 -10.389 -1.930 1.00 0.00 H new ATOM 0 HA THR A 14 10.919 -11.347 -0.686 1.00 0.00 H new ATOM 0 HB THR A 14 10.241 -8.811 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.143 -8.396 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.393 -8.103 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.545 -9.721 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.409 -9.546 -1.666 1.00 0.00 H new ATOM 233 N GLU A 15 9.677 -10.797 1.677 1.00 0.00 N ATOM 234 CA GLU A 15 8.958 -11.140 2.892 1.00 0.00 C ATOM 235 C GLU A 15 8.002 -10.009 3.281 1.00 0.00 C ATOM 236 O GLU A 15 6.907 -10.261 3.778 1.00 0.00 O ATOM 237 CB GLU A 15 9.927 -11.455 4.032 1.00 0.00 C ATOM 238 CG GLU A 15 10.475 -12.879 3.910 1.00 0.00 C ATOM 239 CD GLU A 15 10.100 -13.717 5.134 1.00 0.00 C ATOM 240 OE1 GLU A 15 10.733 -13.585 6.192 1.00 0.00 O ATOM 241 OE2 GLU A 15 9.114 -14.529 4.958 1.00 0.00 O ATOM 0 H GLU A 15 10.562 -10.313 1.827 1.00 0.00 H new ATOM 0 HA GLU A 15 8.369 -12.037 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.752 -10.742 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.418 -11.338 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.081 -13.348 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.559 -12.847 3.805 1.00 0.00 H new ATOM 249 N ASP A 16 8.454 -8.787 3.039 1.00 0.00 N ATOM 250 CA ASP A 16 7.653 -7.617 3.358 1.00 0.00 C ATOM 251 C ASP A 16 6.854 -7.200 2.122 1.00 0.00 C ATOM 252 O ASP A 16 5.640 -7.390 2.071 1.00 0.00 O ATOM 253 CB ASP A 16 8.539 -6.439 3.768 1.00 0.00 C ATOM 254 CG ASP A 16 9.773 -6.813 4.591 1.00 0.00 C ATOM 255 OD1 ASP A 16 9.687 -7.026 5.810 1.00 0.00 O ATOM 256 OD2 ASP A 16 10.874 -6.885 3.922 1.00 0.00 O ATOM 0 H ASP A 16 9.364 -8.582 2.626 1.00 0.00 H new ATOM 0 HA ASP A 16 6.991 -7.876 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.866 -5.919 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.938 -5.734 4.343 1.00 0.00 H new ATOM 262 N ASP A 17 7.567 -6.639 1.156 1.00 0.00 N ATOM 263 CA ASP A 17 6.939 -6.193 -0.075 1.00 0.00 C ATOM 264 C ASP A 17 6.440 -7.410 -0.857 1.00 0.00 C ATOM 265 O ASP A 17 7.215 -8.068 -1.549 1.00 0.00 O ATOM 266 CB ASP A 17 7.934 -5.438 -0.959 1.00 0.00 C ATOM 267 CG ASP A 17 7.483 -4.042 -1.392 1.00 0.00 C ATOM 268 OD1 ASP A 17 8.304 -3.123 -1.539 1.00 0.00 O ATOM 269 OD2 ASP A 17 6.214 -3.913 -1.585 1.00 0.00 O ATOM 0 H ASP A 17 8.574 -6.483 1.202 1.00 0.00 H new ATOM 0 HA ASP A 17 6.115 -5.530 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.879 -5.348 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.129 -6.033 -1.851 1.00 0.00 H new ATOM 275 N LEU A 18 5.148 -7.671 -0.721 1.00 0.00 N ATOM 276 CA LEU A 18 4.536 -8.798 -1.406 1.00 0.00 C ATOM 277 C LEU A 18 4.051 -8.347 -2.785 1.00 0.00 C ATOM 278 O LEU A 18 4.532 -7.350 -3.322 1.00 0.00 O ATOM 279 CB LEU A 18 3.438 -9.419 -0.541 1.00 0.00 C ATOM 280 CG LEU A 18 3.639 -10.885 -0.153 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.423 -11.002 1.156 1.00 0.00 C ATOM 282 CD2 LEU A 18 2.301 -11.624 -0.088 1.00 0.00 C ATOM 0 H LEU A 18 4.508 -7.122 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 18 5.268 -9.589 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.347 -8.831 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.491 -9.331 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 18 4.234 -11.366 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.552 -12.054 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.400 -10.534 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.875 -10.501 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.473 -12.664 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.660 -11.151 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.816 -11.584 -1.063 1.00 0.00 H new ATOM 294 N SER A 19 3.104 -9.103 -3.321 1.00 0.00 N ATOM 295 CA SER A 19 2.548 -8.794 -4.628 1.00 0.00 C ATOM 296 C SER A 19 1.082 -8.381 -4.488 1.00 0.00 C ATOM 297 O SER A 19 0.282 -9.105 -3.898 1.00 0.00 O ATOM 298 CB SER A 19 2.675 -9.989 -5.577 1.00 0.00 C ATOM 299 OG SER A 19 3.719 -10.875 -5.182 1.00 0.00 O ATOM 0 H SER A 19 2.707 -9.929 -2.874 1.00 0.00 H new ATOM 0 HA SER A 19 3.113 -7.965 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.730 -10.532 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.867 -9.630 -6.588 1.00 0.00 H new ATOM 0 HG SER A 19 3.767 -11.625 -5.811 1.00 0.00 H new ATOM 305 N PHE A 20 0.774 -7.217 -5.042 1.00 0.00 N ATOM 306 CA PHE A 20 -0.582 -6.698 -4.987 1.00 0.00 C ATOM 307 C PHE A 20 -1.165 -6.538 -6.393 1.00 0.00 C ATOM 308 O PHE A 20 -0.516 -6.879 -7.381 1.00 0.00 O ATOM 309 CB PHE A 20 -0.509 -5.325 -4.320 1.00 0.00 C ATOM 310 CG PHE A 20 -0.039 -5.364 -2.863 1.00 0.00 C ATOM 311 CD1 PHE A 20 1.281 -5.525 -2.579 1.00 0.00 C ATOM 312 CD2 PHE A 20 -0.942 -5.239 -1.854 1.00 0.00 C ATOM 313 CE1 PHE A 20 1.717 -5.563 -1.228 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.506 -5.277 -0.503 1.00 0.00 C ATOM 315 CZ PHE A 20 0.814 -5.438 -0.219 1.00 0.00 C ATOM 0 H PHE A 20 1.440 -6.619 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.221 -7.386 -4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.167 -4.690 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.494 -4.860 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.998 -5.624 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.990 -5.111 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.765 -5.691 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.223 -5.178 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.145 -5.467 0.808 1.00 0.00 H new ATOM 325 N HIS A 21 -2.384 -6.019 -6.438 1.00 0.00 N ATOM 326 CA HIS A 21 -3.062 -5.810 -7.706 1.00 0.00 C ATOM 327 C HIS A 21 -4.039 -4.641 -7.578 1.00 0.00 C ATOM 328 O HIS A 21 -4.469 -4.303 -6.475 1.00 0.00 O ATOM 329 CB HIS A 21 -3.737 -7.098 -8.180 1.00 0.00 C ATOM 330 CG HIS A 21 -3.897 -7.192 -9.679 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.505 -6.181 -10.539 1.00 0.00 N ATOM 332 CD2 HIS A 21 -4.409 -8.186 -10.460 1.00 0.00 C ATOM 333 CE1 HIS A 21 -3.775 -6.560 -11.780 1.00 0.00 C ATOM 334 NE2 HIS A 21 -4.336 -7.803 -11.728 1.00 0.00 N ATOM 0 H HIS A 21 -2.919 -5.737 -5.617 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.334 -5.547 -8.473 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.153 -7.951 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.720 -7.174 -7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.807 -9.126 -10.106 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.585 -5.986 -12.675 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.648 -8.348 -12.532 1.00 0.00 H new ATOM 342 N LYS A 22 -4.362 -4.053 -8.721 1.00 0.00 N ATOM 343 CA LYS A 22 -5.280 -2.927 -8.751 1.00 0.00 C ATOM 344 C LYS A 22 -6.679 -3.406 -8.358 1.00 0.00 C ATOM 345 O LYS A 22 -6.961 -4.604 -8.388 1.00 0.00 O ATOM 346 CB LYS A 22 -5.229 -2.230 -10.112 1.00 0.00 C ATOM 347 CG LYS A 22 -5.411 -3.235 -11.251 1.00 0.00 C ATOM 348 CD LYS A 22 -6.825 -3.159 -11.830 1.00 0.00 C ATOM 349 CE LYS A 22 -6.786 -2.969 -13.347 1.00 0.00 C ATOM 350 NZ LYS A 22 -7.711 -1.889 -13.758 1.00 0.00 N ATOM 0 H LYS A 22 -4.004 -4.336 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.983 -2.173 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.009 -1.470 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.275 -1.716 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.682 -3.036 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.218 -4.243 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.371 -4.071 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.366 -2.332 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.771 -2.727 -13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.061 -3.900 -13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.672 -1.773 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.681 -2.135 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.431 -0.999 -13.299 1.00 0.00 H new ATOM 363 N GLY A 23 -7.519 -2.447 -7.997 1.00 0.00 N ATOM 364 CA GLY A 23 -8.882 -2.755 -7.598 1.00 0.00 C ATOM 365 C GLY A 23 -8.908 -3.473 -6.246 1.00 0.00 C ATOM 366 O GLY A 23 -9.505 -4.540 -6.118 1.00 0.00 O ATOM 0 H GLY A 23 -7.282 -1.455 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.464 -1.835 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.354 -3.381 -8.355 1.00 0.00 H new ATOM 370 N GLU A 24 -8.253 -2.856 -5.274 1.00 0.00 N ATOM 371 CA GLU A 24 -8.195 -3.422 -3.937 1.00 0.00 C ATOM 372 C GLU A 24 -8.568 -2.365 -2.895 1.00 0.00 C ATOM 373 O GLU A 24 -9.159 -1.339 -3.232 1.00 0.00 O ATOM 374 CB GLU A 24 -6.811 -4.008 -3.650 1.00 0.00 C ATOM 375 CG GLU A 24 -6.913 -5.480 -3.243 1.00 0.00 C ATOM 376 CD GLU A 24 -5.889 -6.329 -3.999 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.855 -6.301 -5.238 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.110 -7.036 -3.253 1.00 0.00 O ATOM 0 H GLU A 24 -7.758 -1.971 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.919 -4.235 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.182 -3.914 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.329 -3.439 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.750 -5.577 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.918 -5.849 -3.447 1.00 0.00 H new ATOM 386 N LYS A 25 -8.210 -2.651 -1.652 1.00 0.00 N ATOM 387 CA LYS A 25 -8.501 -1.738 -0.561 1.00 0.00 C ATOM 388 C LYS A 25 -7.286 -1.653 0.366 1.00 0.00 C ATOM 389 O LYS A 25 -6.710 -2.677 0.732 1.00 0.00 O ATOM 390 CB LYS A 25 -9.791 -2.148 0.152 1.00 0.00 C ATOM 391 CG LYS A 25 -10.759 -0.968 0.256 1.00 0.00 C ATOM 392 CD LYS A 25 -12.080 -1.397 0.900 1.00 0.00 C ATOM 393 CE LYS A 25 -13.000 -0.194 1.116 1.00 0.00 C ATOM 394 NZ LYS A 25 -14.343 -0.641 1.552 1.00 0.00 N ATOM 0 H LYS A 25 -7.721 -3.503 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.681 -0.733 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.266 -2.966 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.557 -2.520 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.305 -0.171 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.950 -0.561 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.577 -2.130 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.882 -1.884 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.570 0.470 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.083 0.379 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.955 0.187 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.757 -1.257 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.261 -1.168 2.445 1.00 0.00 H new ATOM 407 N PHE A 26 -6.933 -0.426 0.718 1.00 0.00 N ATOM 408 CA PHE A 26 -5.797 -0.196 1.594 1.00 0.00 C ATOM 409 C PHE A 26 -6.161 0.776 2.719 1.00 0.00 C ATOM 410 O PHE A 26 -6.600 1.895 2.459 1.00 0.00 O ATOM 411 CB PHE A 26 -4.691 0.424 0.738 1.00 0.00 C ATOM 412 CG PHE A 26 -4.311 -0.410 -0.487 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.593 -1.555 -0.335 1.00 0.00 C ATOM 414 CD2 PHE A 26 -4.691 -0.006 -1.728 1.00 0.00 C ATOM 415 CE1 PHE A 26 -3.241 -2.328 -1.472 1.00 0.00 C ATOM 416 CE2 PHE A 26 -4.338 -0.779 -2.866 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.620 -1.924 -2.714 1.00 0.00 C ATOM 0 H PHE A 26 -7.414 0.420 0.412 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.481 -1.135 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.012 1.412 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.805 0.568 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.291 -1.876 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.262 0.903 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.672 -3.238 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.640 -0.458 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.351 -2.512 -3.579 1.00 0.00 H new ATOM 427 N GLN A 27 -5.964 0.313 3.944 1.00 0.00 N ATOM 428 CA GLN A 27 -6.266 1.126 5.110 1.00 0.00 C ATOM 429 C GLN A 27 -4.993 1.790 5.637 1.00 0.00 C ATOM 430 O GLN A 27 -3.909 1.215 5.555 1.00 0.00 O ATOM 431 CB GLN A 27 -6.943 0.294 6.200 1.00 0.00 C ATOM 432 CG GLN A 27 -8.279 0.915 6.614 1.00 0.00 C ATOM 433 CD GLN A 27 -9.433 0.326 5.799 1.00 0.00 C ATOM 434 OE1 GLN A 27 -9.277 -0.089 4.663 1.00 0.00 O ATOM 435 NE2 GLN A 27 -10.597 0.313 6.442 1.00 0.00 N ATOM 0 H GLN A 27 -5.599 -0.616 4.155 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.964 1.908 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.106 -0.721 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.287 0.222 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.452 0.740 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.242 1.995 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.658 0.676 7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.428 -0.060 5.984 1.00 0.00 H new ATOM 444 N ILE A 28 -5.166 2.992 6.167 1.00 0.00 N ATOM 445 CA ILE A 28 -4.044 3.741 6.708 1.00 0.00 C ATOM 446 C ILE A 28 -3.412 2.947 7.855 1.00 0.00 C ATOM 447 O ILE A 28 -4.059 2.081 8.444 1.00 0.00 O ATOM 448 CB ILE A 28 -4.483 5.152 7.105 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.855 5.129 7.779 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.451 6.094 5.901 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.801 5.798 9.155 1.00 0.00 C ATOM 0 H ILE A 28 -6.067 3.466 6.233 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.273 3.874 5.949 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.772 5.539 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.582 5.642 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.195 4.099 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.767 7.090 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.437 6.142 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.126 5.722 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.790 5.768 9.613 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.091 5.268 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.484 6.835 9.043 1.00 0.00 H new ATOM 463 N LEU A 29 -2.159 3.270 8.136 1.00 0.00 N ATOM 464 CA LEU A 29 -1.434 2.599 9.201 1.00 0.00 C ATOM 465 C LEU A 29 -0.279 3.488 9.665 1.00 0.00 C ATOM 466 O LEU A 29 -0.301 4.010 10.779 1.00 0.00 O ATOM 467 CB LEU A 29 -0.994 1.204 8.753 1.00 0.00 C ATOM 468 CG LEU A 29 -1.082 0.101 9.809 1.00 0.00 C ATOM 469 CD1 LEU A 29 -0.014 0.289 10.889 1.00 0.00 C ATOM 470 CD2 LEU A 29 -2.490 0.022 10.404 1.00 0.00 C ATOM 0 H LEU A 29 -1.627 3.988 7.644 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.082 2.442 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.603 0.910 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.037 1.264 8.405 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.884 -0.854 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.099 -0.508 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.975 0.257 10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.157 1.253 11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.525 -0.770 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.741 0.974 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.208 -0.194 9.613 1.00 0.00 H new ATOM 482 N ASN A 30 0.703 3.634 8.787 1.00 0.00 N ATOM 483 CA ASN A 30 1.865 4.451 9.093 1.00 0.00 C ATOM 484 C ASN A 30 1.811 5.737 8.265 1.00 0.00 C ATOM 485 O ASN A 30 1.476 5.704 7.082 1.00 0.00 O ATOM 486 CB ASN A 30 3.162 3.719 8.743 1.00 0.00 C ATOM 487 CG ASN A 30 4.111 3.681 9.942 1.00 0.00 C ATOM 488 OD1 ASN A 30 3.711 3.813 11.088 1.00 0.00 O ATOM 489 ND2 ASN A 30 5.386 3.496 9.617 1.00 0.00 N ATOM 0 H ASN A 30 0.718 3.200 7.864 1.00 0.00 H new ATOM 0 HA ASN A 30 1.851 4.669 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.935 2.702 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.650 4.216 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.098 3.457 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.653 3.393 8.638 1.00 0.00 H new ATOM 496 N SER A 31 2.145 6.839 8.920 1.00 0.00 N ATOM 497 CA SER A 31 2.138 8.133 8.260 1.00 0.00 C ATOM 498 C SER A 31 2.848 9.170 9.133 1.00 0.00 C ATOM 499 O SER A 31 2.230 10.133 9.586 1.00 0.00 O ATOM 500 CB SER A 31 0.710 8.588 7.951 1.00 0.00 C ATOM 501 OG SER A 31 0.572 9.041 6.607 1.00 0.00 O ATOM 0 H SER A 31 2.422 6.862 9.901 1.00 0.00 H new ATOM 0 HA SER A 31 2.672 8.036 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.020 7.763 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.429 9.390 8.634 1.00 0.00 H new ATOM 0 HG SER A 31 1.393 8.844 6.110 1.00 0.00 H new ATOM 507 N SER A 32 4.135 8.939 9.343 1.00 0.00 N ATOM 508 CA SER A 32 4.936 9.840 10.153 1.00 0.00 C ATOM 509 C SER A 32 5.634 10.867 9.259 1.00 0.00 C ATOM 510 O SER A 32 6.568 11.540 9.694 1.00 0.00 O ATOM 511 CB SER A 32 5.966 9.070 10.981 1.00 0.00 C ATOM 512 OG SER A 32 6.564 8.011 10.237 1.00 0.00 O ATOM 0 H SER A 32 4.644 8.140 8.966 1.00 0.00 H new ATOM 0 HA SER A 32 4.272 10.360 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.741 9.755 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.485 8.662 11.870 1.00 0.00 H new ATOM 0 HG SER A 32 7.217 7.544 10.799 1.00 0.00 H new ATOM 518 N GLU A 33 5.154 10.956 8.028 1.00 0.00 N ATOM 519 CA GLU A 33 5.720 11.889 7.069 1.00 0.00 C ATOM 520 C GLU A 33 7.161 11.496 6.733 1.00 0.00 C ATOM 521 O GLU A 33 8.103 12.191 7.110 1.00 0.00 O ATOM 522 CB GLU A 33 5.653 13.324 7.596 1.00 0.00 C ATOM 523 CG GLU A 33 4.481 14.083 6.972 1.00 0.00 C ATOM 524 CD GLU A 33 4.698 15.595 7.057 1.00 0.00 C ATOM 525 OE1 GLU A 33 3.833 16.318 7.572 1.00 0.00 O ATOM 526 OE2 GLU A 33 5.814 16.014 6.564 1.00 0.00 O ATOM 0 H GLU A 33 4.379 10.397 7.672 1.00 0.00 H new ATOM 0 HA GLU A 33 5.128 11.844 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.547 13.312 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.586 13.841 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.365 13.787 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.556 13.816 7.484 1.00 0.00 H new ATOM 534 N GLY A 34 7.286 10.382 6.026 1.00 0.00 N ATOM 535 CA GLY A 34 8.596 9.888 5.635 1.00 0.00 C ATOM 536 C GLY A 34 8.721 9.817 4.112 1.00 0.00 C ATOM 537 O GLY A 34 8.773 10.846 3.440 1.00 0.00 O ATOM 0 H GLY A 34 6.503 9.808 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.370 10.541 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.759 8.899 6.064 1.00 0.00 H new ATOM 541 N ASP A 35 8.766 8.591 3.610 1.00 0.00 N ATOM 542 CA ASP A 35 8.885 8.371 2.179 1.00 0.00 C ATOM 543 C ASP A 35 7.811 7.379 1.729 1.00 0.00 C ATOM 544 O ASP A 35 6.834 7.766 1.087 1.00 0.00 O ATOM 545 CB ASP A 35 10.251 7.782 1.824 1.00 0.00 C ATOM 546 CG ASP A 35 11.450 8.654 2.201 1.00 0.00 C ATOM 547 OD1 ASP A 35 12.514 8.146 2.584 1.00 0.00 O ATOM 548 OD2 ASP A 35 11.257 9.925 2.087 1.00 0.00 O ATOM 0 H ASP A 35 8.722 7.739 4.170 1.00 0.00 H new ATOM 0 HA ASP A 35 8.766 9.332 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.353 6.817 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.281 7.594 0.751 1.00 0.00 H new ATOM 554 N TRP A 36 8.026 6.121 2.081 1.00 0.00 N ATOM 555 CA TRP A 36 7.089 5.071 1.722 1.00 0.00 C ATOM 556 C TRP A 36 6.049 4.962 2.838 1.00 0.00 C ATOM 557 O TRP A 36 6.343 5.258 3.996 1.00 0.00 O ATOM 558 CB TRP A 36 7.818 3.753 1.453 1.00 0.00 C ATOM 559 CG TRP A 36 9.019 3.886 0.516 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.030 3.835 -0.824 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.394 4.096 0.904 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.306 3.997 -1.325 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.161 4.160 -0.242 1.00 0.00 C ATOM 564 CE3 TRP A 36 10.969 4.228 2.179 1.00 0.00 C ATOM 565 CZ2 TRP A 36 12.547 4.357 -0.226 1.00 0.00 C ATOM 566 CZ3 TRP A 36 12.355 4.424 2.178 1.00 0.00 C ATOM 567 CH2 TRP A 36 13.142 4.491 1.035 1.00 0.00 C ATOM 0 H TRP A 36 8.837 5.804 2.612 1.00 0.00 H new ATOM 0 HA TRP A 36 6.576 5.315 0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.155 3.336 2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.113 3.041 1.024 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.151 3.686 -1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.572 3.997 -2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 36 10.388 4.182 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.126 4.403 -1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 12.847 4.531 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.208 4.646 1.118 1.00 0.00 H new ATOM 578 N TRP A 37 4.856 4.537 2.453 1.00 0.00 N ATOM 579 CA TRP A 37 3.770 4.386 3.408 1.00 0.00 C ATOM 580 C TRP A 37 3.424 2.898 3.498 1.00 0.00 C ATOM 581 O TRP A 37 4.015 2.076 2.799 1.00 0.00 O ATOM 582 CB TRP A 37 2.573 5.256 3.019 1.00 0.00 C ATOM 583 CG TRP A 37 2.681 6.708 3.489 1.00 0.00 C ATOM 584 CD1 TRP A 37 3.387 7.192 4.520 1.00 0.00 C ATOM 585 CD2 TRP A 37 2.032 7.853 2.898 1.00 0.00 C ATOM 586 NE1 TRP A 37 3.241 8.559 4.637 1.00 0.00 N ATOM 587 CE2 TRP A 37 2.390 8.974 3.619 1.00 0.00 C ATOM 588 CE3 TRP A 37 1.169 7.939 1.791 1.00 0.00 C ATOM 589 CZ2 TRP A 37 1.933 10.262 3.313 1.00 0.00 C ATOM 590 CZ3 TRP A 37 0.722 9.233 1.497 1.00 0.00 C ATOM 591 CH2 TRP A 37 1.073 10.372 2.213 1.00 0.00 C ATOM 0 H TRP A 37 4.616 4.292 1.492 1.00 0.00 H new ATOM 0 HA TRP A 37 4.073 4.734 4.396 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.464 5.243 1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.667 4.816 3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.994 6.588 5.177 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.677 9.155 5.341 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.874 7.075 1.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.228 11.124 3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.058 9.355 0.654 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.684 11.337 1.922 1.00 0.00 H new ATOM 602 N GLU A 38 2.467 2.598 4.364 1.00 0.00 N ATOM 603 CA GLU A 38 2.035 1.223 4.553 1.00 0.00 C ATOM 604 C GLU A 38 0.767 0.948 3.742 1.00 0.00 C ATOM 605 O GLU A 38 -0.035 1.851 3.513 1.00 0.00 O ATOM 606 CB GLU A 38 1.813 0.919 6.037 1.00 0.00 C ATOM 607 CG GLU A 38 3.126 0.529 6.719 1.00 0.00 C ATOM 608 CD GLU A 38 2.865 -0.114 8.082 1.00 0.00 C ATOM 609 OE1 GLU A 38 2.218 0.500 8.944 1.00 0.00 O ATOM 610 OE2 GLU A 38 3.362 -1.295 8.233 1.00 0.00 O ATOM 0 H GLU A 38 1.979 3.282 4.942 1.00 0.00 H new ATOM 0 HA GLU A 38 2.823 0.562 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.388 1.793 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.090 0.110 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.677 -0.165 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.752 1.413 6.843 1.00 0.00 H new ATOM 618 N ALA A 39 0.628 -0.303 3.329 1.00 0.00 N ATOM 619 CA ALA A 39 -0.529 -0.708 2.548 1.00 0.00 C ATOM 620 C ALA A 39 -1.205 -1.901 3.227 1.00 0.00 C ATOM 621 O ALA A 39 -0.796 -3.045 3.031 1.00 0.00 O ATOM 622 CB ALA A 39 -0.092 -1.022 1.116 1.00 0.00 C ATOM 0 H ALA A 39 1.297 -1.049 3.520 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.260 0.099 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.959 -1.326 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.355 -0.134 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.639 -1.830 1.128 1.00 0.00 H new ATOM 628 N ARG A 40 -2.227 -1.594 4.011 1.00 0.00 N ATOM 629 CA ARG A 40 -2.964 -2.626 4.719 1.00 0.00 C ATOM 630 C ARG A 40 -4.191 -3.052 3.911 1.00 0.00 C ATOM 631 O ARG A 40 -5.123 -2.270 3.732 1.00 0.00 O ATOM 632 CB ARG A 40 -3.415 -2.134 6.097 1.00 0.00 C ATOM 633 CG ARG A 40 -2.428 -2.568 7.183 1.00 0.00 C ATOM 634 CD ARG A 40 -2.893 -3.857 7.863 1.00 0.00 C ATOM 635 NE ARG A 40 -3.784 -3.537 9.000 1.00 0.00 N ATOM 636 CZ ARG A 40 -3.679 -4.095 10.224 1.00 0.00 C ATOM 637 NH1 ARG A 40 -2.718 -5.007 10.482 1.00 0.00 N ATOM 638 NH2 ARG A 40 -4.531 -3.736 11.167 1.00 0.00 N ATOM 0 H ARG A 40 -2.562 -0.644 4.172 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.297 -3.478 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.499 -1.047 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.406 -2.529 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.442 -2.720 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.328 -1.777 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.418 -4.487 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.031 -4.424 8.214 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.524 -2.852 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.064 -5.280 9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.646 -5.424 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.255 -3.046 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.465 -4.148 12.098 1.00 0.00 H new ATOM 651 N SER A 41 -4.152 -4.292 3.446 1.00 0.00 N ATOM 652 CA SER A 41 -5.250 -4.832 2.661 1.00 0.00 C ATOM 653 C SER A 41 -6.316 -5.421 3.587 1.00 0.00 C ATOM 654 O SER A 41 -5.995 -5.954 4.648 1.00 0.00 O ATOM 655 CB SER A 41 -4.754 -5.895 1.679 1.00 0.00 C ATOM 656 OG SER A 41 -4.385 -5.332 0.423 1.00 0.00 O ATOM 0 H SER A 41 -3.378 -4.938 3.598 1.00 0.00 H new ATOM 0 HA SER A 41 -5.689 -4.019 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.897 -6.414 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.535 -6.640 1.527 1.00 0.00 H new ATOM 0 HG SER A 41 -4.072 -6.043 -0.175 1.00 0.00 H new ATOM 662 N LEU A 42 -7.561 -5.304 3.152 1.00 0.00 N ATOM 663 CA LEU A 42 -8.677 -5.818 3.929 1.00 0.00 C ATOM 664 C LEU A 42 -9.048 -7.212 3.419 1.00 0.00 C ATOM 665 O LEU A 42 -9.888 -7.889 4.010 1.00 0.00 O ATOM 666 CB LEU A 42 -9.842 -4.827 3.914 1.00 0.00 C ATOM 667 CG LEU A 42 -10.444 -4.479 5.277 1.00 0.00 C ATOM 668 CD1 LEU A 42 -9.687 -3.321 5.931 1.00 0.00 C ATOM 669 CD2 LEU A 42 -11.941 -4.190 5.158 1.00 0.00 C ATOM 0 H LEU A 42 -7.823 -4.861 2.271 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.395 -5.926 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.502 -3.905 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.632 -5.235 3.283 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.335 -5.345 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.135 -3.094 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.643 -3.602 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.743 -2.441 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.344 -3.946 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.097 -3.349 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.451 -5.070 4.765 1.00 0.00 H new ATOM 681 N THR A 43 -8.404 -7.599 2.329 1.00 0.00 N ATOM 682 CA THR A 43 -8.656 -8.901 1.733 1.00 0.00 C ATOM 683 C THR A 43 -7.637 -9.925 2.236 1.00 0.00 C ATOM 684 O THR A 43 -7.978 -10.815 3.013 1.00 0.00 O ATOM 685 CB THR A 43 -8.650 -8.733 0.212 1.00 0.00 C ATOM 686 OG1 THR A 43 -8.909 -7.346 0.014 1.00 0.00 O ATOM 687 CG2 THR A 43 -9.832 -9.434 -0.460 1.00 0.00 C ATOM 0 H THR A 43 -7.708 -7.035 1.842 1.00 0.00 H new ATOM 0 HA THR A 43 -9.631 -9.289 2.028 1.00 0.00 H new ATOM 0 HB THR A 43 -7.718 -9.127 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.921 -7.149 -0.946 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.779 -9.283 -1.538 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.795 -10.501 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.765 -9.018 -0.081 1.00 0.00 H new ATOM 695 N THR A 44 -6.406 -9.763 1.773 1.00 0.00 N ATOM 696 CA THR A 44 -5.334 -10.663 2.166 1.00 0.00 C ATOM 697 C THR A 44 -4.973 -10.449 3.638 1.00 0.00 C ATOM 698 O THR A 44 -4.699 -11.408 4.358 1.00 0.00 O ATOM 699 CB THR A 44 -4.158 -10.441 1.214 1.00 0.00 C ATOM 700 OG1 THR A 44 -4.773 -10.226 -0.053 1.00 0.00 O ATOM 701 CG2 THR A 44 -3.322 -11.707 1.013 1.00 0.00 C ATOM 0 H THR A 44 -6.127 -9.022 1.130 1.00 0.00 H new ATOM 0 HA THR A 44 -5.642 -11.705 2.087 1.00 0.00 H new ATOM 0 HB THR A 44 -3.523 -9.644 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.082 -10.072 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.500 -11.496 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.921 -12.034 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.949 -12.494 0.595 1.00 0.00 H new ATOM 709 N GLY A 45 -4.985 -9.186 4.040 1.00 0.00 N ATOM 710 CA GLY A 45 -4.662 -8.836 5.413 1.00 0.00 C ATOM 711 C GLY A 45 -3.147 -8.817 5.632 1.00 0.00 C ATOM 712 O GLY A 45 -2.680 -8.901 6.766 1.00 0.00 O ATOM 0 H GLY A 45 -5.213 -8.394 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.080 -7.858 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.122 -9.553 6.093 1.00 0.00 H new ATOM 716 N GLU A 46 -2.423 -8.706 4.528 1.00 0.00 N ATOM 717 CA GLU A 46 -0.971 -8.676 4.585 1.00 0.00 C ATOM 718 C GLU A 46 -0.468 -7.232 4.519 1.00 0.00 C ATOM 719 O GLU A 46 -1.164 -6.350 4.017 1.00 0.00 O ATOM 720 CB GLU A 46 -0.360 -9.521 3.466 1.00 0.00 C ATOM 721 CG GLU A 46 1.139 -9.724 3.689 1.00 0.00 C ATOM 722 CD GLU A 46 1.423 -11.102 4.291 1.00 0.00 C ATOM 723 OE1 GLU A 46 0.783 -11.490 5.279 1.00 0.00 O ATOM 724 OE2 GLU A 46 2.346 -11.779 3.695 1.00 0.00 O ATOM 0 H GLU A 46 -2.815 -8.636 3.589 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.655 -9.108 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.859 -10.489 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.526 -9.033 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.668 -9.621 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.520 -8.948 4.353 1.00 0.00 H new ATOM 732 N THR A 47 0.738 -7.035 5.032 1.00 0.00 N ATOM 733 CA THR A 47 1.342 -5.714 5.037 1.00 0.00 C ATOM 734 C THR A 47 2.637 -5.717 4.223 1.00 0.00 C ATOM 735 O THR A 47 3.092 -6.769 3.777 1.00 0.00 O ATOM 736 CB THR A 47 1.541 -5.290 6.493 1.00 0.00 C ATOM 737 OG1 THR A 47 2.244 -6.382 7.079 1.00 0.00 O ATOM 738 CG2 THR A 47 0.225 -5.234 7.271 1.00 0.00 C ATOM 0 H THR A 47 1.313 -7.768 5.447 1.00 0.00 H new ATOM 0 HA THR A 47 0.694 -4.981 4.556 1.00 0.00 H new ATOM 0 HB THR A 47 2.023 -4.313 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.417 -6.190 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.422 -4.928 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.445 -4.515 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.241 -6.219 7.269 1.00 0.00 H new ATOM 746 N GLY A 48 3.196 -4.527 4.054 1.00 0.00 N ATOM 747 CA GLY A 48 4.430 -4.380 3.302 1.00 0.00 C ATOM 748 C GLY A 48 4.687 -2.913 2.954 1.00 0.00 C ATOM 749 O GLY A 48 4.142 -2.013 3.592 1.00 0.00 O ATOM 0 H GLY A 48 2.816 -3.656 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.264 -4.771 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.376 -4.970 2.387 1.00 0.00 H new ATOM 753 N TYR A 49 5.519 -2.715 1.941 1.00 0.00 N ATOM 754 CA TYR A 49 5.855 -1.371 1.499 1.00 0.00 C ATOM 755 C TYR A 49 5.101 -1.011 0.218 1.00 0.00 C ATOM 756 O TYR A 49 4.719 -1.892 -0.550 1.00 0.00 O ATOM 757 CB TYR A 49 7.357 -1.388 1.207 1.00 0.00 C ATOM 758 CG TYR A 49 8.226 -0.964 2.392 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.988 0.236 3.030 1.00 0.00 C ATOM 760 CD2 TYR A 49 9.250 -1.784 2.824 1.00 0.00 C ATOM 761 CE1 TYR A 49 8.807 0.634 4.145 1.00 0.00 C ATOM 762 CE2 TYR A 49 10.068 -1.386 3.940 1.00 0.00 C ATOM 763 CZ TYR A 49 9.807 -0.196 4.545 1.00 0.00 C ATOM 764 OH TYR A 49 10.580 0.180 5.598 1.00 0.00 O ATOM 0 H TYR A 49 5.970 -3.463 1.414 1.00 0.00 H new ATOM 0 HA TYR A 49 5.585 -0.637 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.646 -2.393 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.561 -0.726 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.187 0.877 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.437 -2.723 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.631 1.571 4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.871 -2.018 4.289 1.00 0.00 H new ATOM 0 HH TYR A 49 11.253 -0.511 5.773 1.00 0.00 H new ATOM 774 N ILE A 50 4.910 0.287 0.028 1.00 0.00 N ATOM 775 CA ILE A 50 4.208 0.775 -1.148 1.00 0.00 C ATOM 776 C ILE A 50 4.741 2.162 -1.514 1.00 0.00 C ATOM 777 O ILE A 50 5.013 2.979 -0.636 1.00 0.00 O ATOM 778 CB ILE A 50 2.696 0.737 -0.923 1.00 0.00 C ATOM 779 CG1 ILE A 50 1.952 1.399 -2.085 1.00 0.00 C ATOM 780 CG2 ILE A 50 2.325 1.360 0.425 1.00 0.00 C ATOM 781 CD1 ILE A 50 0.637 0.674 -2.379 1.00 0.00 C ATOM 0 H ILE A 50 5.229 1.015 0.668 1.00 0.00 H new ATOM 0 HA ILE A 50 4.396 0.125 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 50 2.382 -0.306 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.750 2.443 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.581 1.393 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.244 1.320 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.811 0.806 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.655 2.398 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.129 1.165 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.844 -0.363 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.000 0.703 -1.495 1.00 0.00 H new ATOM 793 N PRO A 51 4.879 2.391 -2.848 1.00 0.00 N ATOM 794 CA PRO A 51 5.373 3.665 -3.342 1.00 0.00 C ATOM 795 C PRO A 51 4.245 4.695 -3.429 1.00 0.00 C ATOM 796 O PRO A 51 3.142 4.377 -3.870 1.00 0.00 O ATOM 797 CB PRO A 51 5.994 3.348 -4.692 1.00 0.00 C ATOM 798 CG PRO A 51 5.415 2.006 -5.114 1.00 0.00 C ATOM 799 CD PRO A 51 4.755 1.382 -3.895 1.00 0.00 C ATOM 0 HA PRO A 51 6.108 4.118 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.757 4.122 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.081 3.299 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.689 2.138 -5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.200 1.355 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.710 1.141 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.249 0.453 -3.610 1.00 0.00 H new ATOM 807 N SER A 52 4.562 5.909 -3.001 1.00 0.00 N ATOM 808 CA SER A 52 3.589 6.988 -3.026 1.00 0.00 C ATOM 809 C SER A 52 3.762 7.820 -4.297 1.00 0.00 C ATOM 810 O SER A 52 3.341 8.975 -4.349 1.00 0.00 O ATOM 811 CB SER A 52 3.721 7.875 -1.787 1.00 0.00 C ATOM 812 OG SER A 52 2.486 8.002 -1.087 1.00 0.00 O ATOM 0 H SER A 52 5.478 6.169 -2.635 1.00 0.00 H new ATOM 0 HA SER A 52 2.591 6.550 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.474 7.456 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.072 8.863 -2.084 1.00 0.00 H new ATOM 0 HG SER A 52 2.644 7.902 -0.125 1.00 0.00 H new ATOM 818 N ASN A 53 4.384 7.203 -5.290 1.00 0.00 N ATOM 819 CA ASN A 53 4.620 7.873 -6.558 1.00 0.00 C ATOM 820 C ASN A 53 3.541 7.453 -7.560 1.00 0.00 C ATOM 821 O ASN A 53 3.408 8.057 -8.624 1.00 0.00 O ATOM 822 CB ASN A 53 5.981 7.489 -7.141 1.00 0.00 C ATOM 823 CG ASN A 53 7.061 8.484 -6.712 1.00 0.00 C ATOM 824 OD1 ASN A 53 7.332 9.470 -7.376 1.00 0.00 O ATOM 825 ND2 ASN A 53 7.661 8.171 -5.566 1.00 0.00 N ATOM 0 H ASN A 53 4.732 6.245 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 53 4.595 8.948 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.253 6.487 -6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.920 7.460 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.396 8.773 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.386 7.330 -5.059 1.00 0.00 H new ATOM 832 N TYR A 54 2.801 6.420 -7.186 1.00 0.00 N ATOM 833 CA TYR A 54 1.739 5.912 -8.037 1.00 0.00 C ATOM 834 C TYR A 54 0.490 5.580 -7.218 1.00 0.00 C ATOM 835 O TYR A 54 -0.104 4.517 -7.389 1.00 0.00 O ATOM 836 CB TYR A 54 2.281 4.626 -8.664 1.00 0.00 C ATOM 837 CG TYR A 54 3.046 4.844 -9.971 1.00 0.00 C ATOM 838 CD1 TYR A 54 2.363 5.179 -11.122 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.419 4.706 -9.998 1.00 0.00 C ATOM 840 CE1 TYR A 54 3.084 5.384 -12.351 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.140 4.912 -11.227 1.00 0.00 C ATOM 842 CZ TYR A 54 4.436 5.241 -12.344 1.00 0.00 C ATOM 843 OH TYR A 54 5.117 5.434 -13.506 1.00 0.00 O ATOM 0 H TYR A 54 2.916 5.921 -6.304 1.00 0.00 H new ATOM 0 HA TYR A 54 1.457 6.655 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.939 4.134 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.449 3.947 -8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.289 5.287 -11.101 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.953 4.443 -9.097 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.562 5.646 -13.259 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.214 4.808 -11.262 1.00 0.00 H new ATOM 0 HH TYR A 54 6.075 5.299 -13.350 1.00 0.00 H new ATOM 853 N VAL A 55 0.130 6.510 -6.345 1.00 0.00 N ATOM 854 CA VAL A 55 -1.038 6.328 -5.500 1.00 0.00 C ATOM 855 C VAL A 55 -2.055 7.431 -5.798 1.00 0.00 C ATOM 856 O VAL A 55 -1.866 8.220 -6.723 1.00 0.00 O ATOM 857 CB VAL A 55 -0.617 6.285 -4.029 1.00 0.00 C ATOM 858 CG1 VAL A 55 0.323 5.108 -3.762 1.00 0.00 C ATOM 859 CG2 VAL A 55 0.025 7.608 -3.604 1.00 0.00 C ATOM 0 H VAL A 55 0.626 7.390 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.520 5.375 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.514 6.140 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.607 5.101 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.184 4.175 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.216 5.209 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.315 7.551 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.908 7.797 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.690 8.419 -3.739 1.00 0.00 H new ATOM 869 N ALA A 56 -3.110 7.452 -4.997 1.00 0.00 N ATOM 870 CA ALA A 56 -4.156 8.446 -5.164 1.00 0.00 C ATOM 871 C ALA A 56 -4.616 8.932 -3.788 1.00 0.00 C ATOM 872 O ALA A 56 -5.547 8.377 -3.209 1.00 0.00 O ATOM 873 CB ALA A 56 -5.302 7.849 -5.984 1.00 0.00 C ATOM 0 H ALA A 56 -3.263 6.797 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.780 9.311 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.087 8.595 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.930 7.546 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.707 6.980 -5.465 1.00 0.00 H new ATOM 879 N PRO A 57 -3.924 9.993 -3.293 1.00 0.00 N ATOM 880 CA PRO A 57 -4.251 10.561 -1.996 1.00 0.00 C ATOM 881 C PRO A 57 -5.226 11.731 -2.141 1.00 0.00 C ATOM 882 O PRO A 57 -4.809 12.887 -2.203 1.00 0.00 O ATOM 883 CB PRO A 57 -2.916 10.971 -1.397 1.00 0.00 C ATOM 884 CG PRO A 57 -1.943 11.046 -2.562 1.00 0.00 C ATOM 885 CD PRO A 57 -2.587 10.358 -3.753 1.00 0.00 C ATOM 0 HA PRO A 57 -4.763 9.854 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.994 11.933 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.582 10.246 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.712 12.084 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.001 10.561 -2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.633 11.022 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.019 9.479 -4.057 1.00 0.00 H new ATOM 893 N VAL A 58 -6.505 11.392 -2.188 1.00 0.00 N ATOM 894 CA VAL A 58 -7.543 12.401 -2.324 1.00 0.00 C ATOM 895 C VAL A 58 -8.356 12.467 -1.029 1.00 0.00 C ATOM 896 O VAL A 58 -7.969 11.884 -0.018 1.00 0.00 O ATOM 897 CB VAL A 58 -8.402 12.105 -3.554 1.00 0.00 C ATOM 898 CG1 VAL A 58 -7.590 12.264 -4.842 1.00 0.00 C ATOM 899 CG2 VAL A 58 -9.024 10.710 -3.466 1.00 0.00 C ATOM 0 H VAL A 58 -6.847 10.433 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.101 13.385 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.214 12.832 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.225 12.048 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.218 13.286 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.748 11.572 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.630 10.525 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.233 9.962 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.653 10.647 -2.578 1.00 0.00 H new ATOM 909 N ASP A 59 -9.468 13.184 -1.102 1.00 0.00 N ATOM 910 CA ASP A 59 -10.339 13.334 0.052 1.00 0.00 C ATOM 911 C ASP A 59 -11.752 12.881 -0.320 1.00 0.00 C ATOM 912 O ASP A 59 -11.942 12.181 -1.312 1.00 0.00 O ATOM 913 CB ASP A 59 -10.413 14.796 0.498 1.00 0.00 C ATOM 914 CG ASP A 59 -9.813 15.082 1.876 1.00 0.00 C ATOM 915 OD1 ASP A 59 -10.291 15.959 2.611 1.00 0.00 O ATOM 916 OD2 ASP A 59 -8.798 14.351 2.192 1.00 0.00 O ATOM 0 H ASP A 59 -9.786 13.667 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.933 12.729 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.900 15.412 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.458 15.107 0.501 1.00 0.00 H new TER 922 ASP A 59