USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=17 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 Set 1.1: A 30 ASN : amide:sc= 0.00077 X(o=0.00077,f=0) USER MOD Set 1.2: A 32 SER OG : rot 88:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -144:sc= -0.07 (180deg=-1.01) 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 154:sc= 0.971 USER MOD Single : A 19 SER OG : rot 180:sc= 0.112 USER MOD Single : A 21 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.27) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= 0.535 (180deg=-0.374!) USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= -0.247 (180deg=-3.31!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 31 SER OG : rot 29:sc= 0.385 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 120:sc= -0.559 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.547 USER MOD Single : A 53 ASN : amide:sc=-0.00401 X(o=-0.004,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.710 12.037 4.136 1.00 0.00 N ATOM 2 CA VAL A 1 -10.501 10.815 3.380 1.00 0.00 C ATOM 3 C VAL A 1 -9.024 10.703 2.996 1.00 0.00 C ATOM 4 O VAL A 1 -8.573 11.352 2.053 1.00 0.00 O ATOM 5 CB VAL A 1 -11.437 10.781 2.170 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.295 9.465 1.402 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.888 11.015 2.593 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.425 11.872 4.872 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.816 12.327 4.581 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.039 12.789 3.497 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.746 9.944 3.988 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.148 11.591 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -11.971 9.468 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.268 9.357 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -11.544 8.632 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.532 10.986 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.193 10.237 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.974 11.989 3.074 1.00 0.00 H new ATOM 17 N THR A 2 -8.311 9.877 3.747 1.00 0.00 N ATOM 18 CA THR A 2 -6.894 9.674 3.497 1.00 0.00 C ATOM 19 C THR A 2 -6.651 8.283 2.907 1.00 0.00 C ATOM 20 O THR A 2 -5.542 7.756 2.985 1.00 0.00 O ATOM 21 CB THR A 2 -6.142 9.917 4.808 1.00 0.00 C ATOM 22 OG1 THR A 2 -6.777 11.066 5.363 1.00 0.00 O ATOM 23 CG2 THR A 2 -4.697 10.362 4.580 1.00 0.00 C ATOM 0 H THR A 2 -8.688 9.341 4.529 1.00 0.00 H new ATOM 0 HA THR A 2 -6.519 10.379 2.755 1.00 0.00 H new ATOM 0 HB THR A 2 -6.150 9.006 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.353 11.294 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.209 10.521 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.162 9.591 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.688 11.292 4.011 1.00 0.00 H new ATOM 31 N LEU A 3 -7.706 7.728 2.329 1.00 0.00 N ATOM 32 CA LEU A 3 -7.622 6.409 1.726 1.00 0.00 C ATOM 33 C LEU A 3 -6.940 6.520 0.360 1.00 0.00 C ATOM 34 O LEU A 3 -7.211 7.449 -0.399 1.00 0.00 O ATOM 35 CB LEU A 3 -9.004 5.756 1.671 1.00 0.00 C ATOM 36 CG LEU A 3 -9.400 4.923 2.892 1.00 0.00 C ATOM 37 CD1 LEU A 3 -9.642 5.816 4.110 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.609 4.037 2.583 1.00 0.00 C ATOM 0 H LEU A 3 -8.624 8.168 2.266 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.007 5.749 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.749 6.539 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.047 5.116 0.790 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.569 4.261 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.922 5.199 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.731 6.367 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.446 6.519 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.870 3.456 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.455 4.662 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.365 3.361 1.763 1.00 0.00 H new ATOM 50 N PHE A 4 -6.069 5.558 0.090 1.00 0.00 N ATOM 51 CA PHE A 4 -5.346 5.538 -1.170 1.00 0.00 C ATOM 52 C PHE A 4 -5.954 4.515 -2.133 1.00 0.00 C ATOM 53 O PHE A 4 -6.355 3.429 -1.719 1.00 0.00 O ATOM 54 CB PHE A 4 -3.906 5.128 -0.853 1.00 0.00 C ATOM 55 CG PHE A 4 -3.334 5.790 0.402 1.00 0.00 C ATOM 56 CD1 PHE A 4 -2.989 7.105 0.380 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.168 5.062 1.539 1.00 0.00 C ATOM 58 CE1 PHE A 4 -2.458 7.719 1.545 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.636 5.675 2.704 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.293 6.991 2.683 1.00 0.00 C ATOM 0 H PHE A 4 -5.848 4.788 0.722 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.395 6.519 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.865 4.046 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.272 5.377 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.119 7.682 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.441 4.017 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.185 8.764 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.504 5.097 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.890 7.458 3.569 1.00 0.00 H new ATOM 70 N VAL A 5 -6.004 4.900 -3.400 1.00 0.00 N ATOM 71 CA VAL A 5 -6.556 4.031 -4.425 1.00 0.00 C ATOM 72 C VAL A 5 -5.413 3.362 -5.192 1.00 0.00 C ATOM 73 O VAL A 5 -4.408 4.002 -5.497 1.00 0.00 O ATOM 74 CB VAL A 5 -7.500 4.824 -5.331 1.00 0.00 C ATOM 75 CG1 VAL A 5 -7.991 3.965 -6.498 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.676 5.392 -4.535 1.00 0.00 C ATOM 0 H VAL A 5 -5.671 5.802 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.151 3.238 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.940 5.663 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.660 4.553 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.138 3.632 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.525 3.097 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.331 5.951 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.235 4.575 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.301 6.055 -3.756 1.00 0.00 H new ATOM 86 N ALA A 6 -5.604 2.084 -5.480 1.00 0.00 N ATOM 87 CA ALA A 6 -4.602 1.322 -6.205 1.00 0.00 C ATOM 88 C ALA A 6 -4.644 1.709 -7.685 1.00 0.00 C ATOM 89 O ALA A 6 -5.719 1.908 -8.247 1.00 0.00 O ATOM 90 CB ALA A 6 -4.841 -0.174 -5.986 1.00 0.00 C ATOM 0 H ALA A 6 -6.438 1.556 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.603 1.551 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.089 -0.746 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.771 -0.402 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.833 -0.441 -6.350 1.00 0.00 H new ATOM 96 N LEU A 7 -3.461 1.805 -8.272 1.00 0.00 N ATOM 97 CA LEU A 7 -3.348 2.166 -9.675 1.00 0.00 C ATOM 98 C LEU A 7 -3.168 0.896 -10.510 1.00 0.00 C ATOM 99 O LEU A 7 -4.018 0.567 -11.337 1.00 0.00 O ATOM 100 CB LEU A 7 -2.236 3.196 -9.876 1.00 0.00 C ATOM 101 CG LEU A 7 -2.525 4.306 -10.889 1.00 0.00 C ATOM 102 CD1 LEU A 7 -1.624 5.518 -10.646 1.00 0.00 C ATOM 103 CD2 LEU A 7 -2.409 3.783 -12.323 1.00 0.00 C ATOM 0 H LEU A 7 -2.571 1.639 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.263 2.648 -10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.017 3.658 -8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.334 2.671 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.554 4.637 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.850 6.292 -11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.799 5.906 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.580 5.220 -10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.619 4.591 -13.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.400 3.409 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.126 2.976 -12.475 1.00 0.00 H new ATOM 115 N TYR A 8 -2.057 0.217 -10.265 1.00 0.00 N ATOM 116 CA TYR A 8 -1.755 -1.009 -10.984 1.00 0.00 C ATOM 117 C TYR A 8 -1.100 -2.039 -10.061 1.00 0.00 C ATOM 118 O TYR A 8 -1.071 -1.858 -8.845 1.00 0.00 O ATOM 119 CB TYR A 8 -0.762 -0.621 -12.081 1.00 0.00 C ATOM 120 CG TYR A 8 -1.238 -0.950 -13.497 1.00 0.00 C ATOM 121 CD1 TYR A 8 -2.526 -0.638 -13.881 1.00 0.00 C ATOM 122 CD2 TYR A 8 -0.380 -1.559 -14.390 1.00 0.00 C ATOM 123 CE1 TYR A 8 -2.974 -0.947 -15.214 1.00 0.00 C ATOM 124 CE2 TYR A 8 -0.828 -1.868 -15.723 1.00 0.00 C ATOM 125 CZ TYR A 8 -2.103 -1.548 -16.069 1.00 0.00 C ATOM 126 OH TYR A 8 -2.526 -1.840 -17.328 1.00 0.00 O ATOM 0 H TYR A 8 -1.355 0.493 -9.578 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.666 -1.454 -11.383 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.563 0.449 -12.015 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.183 -1.132 -11.899 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.198 -0.162 -13.182 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.628 -1.804 -14.089 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.979 -0.707 -15.528 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.166 -2.343 -16.432 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.798 -2.266 -17.827 1.00 0.00 H new ATOM 136 N ASP A 9 -0.593 -3.097 -10.675 1.00 0.00 N ATOM 137 CA ASP A 9 0.059 -4.157 -9.923 1.00 0.00 C ATOM 138 C ASP A 9 1.559 -3.870 -9.843 1.00 0.00 C ATOM 139 O ASP A 9 2.057 -2.961 -10.505 1.00 0.00 O ATOM 140 CB ASP A 9 -0.128 -5.513 -10.607 1.00 0.00 C ATOM 141 CG ASP A 9 -0.215 -5.461 -12.134 1.00 0.00 C ATOM 142 OD1 ASP A 9 -1.300 -5.279 -12.706 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.908 -5.618 -12.749 1.00 0.00 O ATOM 0 H ASP A 9 -0.620 -3.244 -11.684 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.388 -4.190 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.702 -6.162 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.037 -5.975 -10.222 1.00 0.00 H new ATOM 149 N TYR A 10 2.238 -4.663 -9.026 1.00 0.00 N ATOM 150 CA TYR A 10 3.672 -4.506 -8.852 1.00 0.00 C ATOM 151 C TYR A 10 4.355 -5.863 -8.676 1.00 0.00 C ATOM 152 O TYR A 10 3.767 -6.792 -8.124 1.00 0.00 O ATOM 153 CB TYR A 10 3.853 -3.688 -7.571 1.00 0.00 C ATOM 154 CG TYR A 10 5.170 -2.911 -7.511 1.00 0.00 C ATOM 155 CD1 TYR A 10 5.526 -2.075 -8.549 1.00 0.00 C ATOM 156 CD2 TYR A 10 6.000 -3.044 -6.417 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.765 -1.343 -8.493 1.00 0.00 C ATOM 158 CE2 TYR A 10 7.239 -2.313 -6.359 1.00 0.00 C ATOM 159 CZ TYR A 10 7.560 -1.498 -7.400 1.00 0.00 C ATOM 160 OH TYR A 10 8.730 -0.807 -7.347 1.00 0.00 O ATOM 0 H TYR A 10 1.821 -5.416 -8.478 1.00 0.00 H new ATOM 0 HA TYR A 10 4.114 -4.023 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.024 -2.986 -7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.799 -4.358 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.875 -1.969 -9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.720 -3.697 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.056 -0.687 -9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.898 -2.409 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 10 9.194 -1.014 -6.509 1.00 0.00 H new ATOM 170 N GLU A 11 5.587 -5.937 -9.158 1.00 0.00 N ATOM 171 CA GLU A 11 6.357 -7.166 -9.061 1.00 0.00 C ATOM 172 C GLU A 11 7.423 -7.040 -7.972 1.00 0.00 C ATOM 173 O GLU A 11 8.510 -6.519 -8.219 1.00 0.00 O ATOM 174 CB GLU A 11 6.988 -7.525 -10.408 1.00 0.00 C ATOM 175 CG GLU A 11 6.603 -8.942 -10.834 1.00 0.00 C ATOM 176 CD GLU A 11 5.181 -8.978 -11.397 1.00 0.00 C ATOM 177 OE1 GLU A 11 5.000 -9.140 -12.613 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.244 -8.833 -10.522 1.00 0.00 O ATOM 0 H GLU A 11 6.071 -5.166 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 11 5.680 -7.975 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.664 -6.813 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.073 -7.445 -10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.305 -9.303 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.677 -9.615 -9.980 1.00 0.00 H new ATOM 186 N ALA A 12 7.075 -7.526 -6.789 1.00 0.00 N ATOM 187 CA ALA A 12 7.989 -7.474 -5.660 1.00 0.00 C ATOM 188 C ALA A 12 8.653 -8.841 -5.485 1.00 0.00 C ATOM 189 O ALA A 12 7.971 -9.846 -5.288 1.00 0.00 O ATOM 190 CB ALA A 12 7.230 -7.029 -4.409 1.00 0.00 C ATOM 0 H ALA A 12 6.173 -7.958 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 12 8.779 -6.744 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.915 -6.990 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.802 -6.040 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.431 -7.739 -4.196 1.00 0.00 H new ATOM 196 N ARG A 13 9.976 -8.835 -5.563 1.00 0.00 N ATOM 197 CA ARG A 13 10.740 -10.062 -5.414 1.00 0.00 C ATOM 198 C ARG A 13 11.618 -9.993 -4.164 1.00 0.00 C ATOM 199 O ARG A 13 12.814 -10.269 -4.225 1.00 0.00 O ATOM 200 CB ARG A 13 11.625 -10.310 -6.637 1.00 0.00 C ATOM 201 CG ARG A 13 10.828 -10.961 -7.769 1.00 0.00 C ATOM 202 CD ARG A 13 11.651 -11.017 -9.058 1.00 0.00 C ATOM 203 NE ARG A 13 10.818 -10.599 -10.209 1.00 0.00 N ATOM 204 CZ ARG A 13 11.316 -10.189 -11.395 1.00 0.00 C ATOM 205 NH1 ARG A 13 12.650 -10.138 -11.596 1.00 0.00 N ATOM 206 NH2 ARG A 13 10.479 -9.840 -12.354 1.00 0.00 N ATOM 0 H ARG A 13 10.538 -8.000 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 13 10.031 -10.885 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.048 -9.366 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.461 -10.952 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.533 -11.969 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.911 -10.398 -7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.521 -10.366 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.025 -12.029 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 13 9.804 -10.622 -10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.289 -10.410 -10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.019 -9.827 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.473 -9.882 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.838 -9.528 -13.256 1.00 0.00 H new ATOM 219 N THR A 14 10.988 -9.625 -3.057 1.00 0.00 N ATOM 220 CA THR A 14 11.697 -9.517 -1.794 1.00 0.00 C ATOM 221 C THR A 14 10.849 -10.089 -0.656 1.00 0.00 C ATOM 222 O THR A 14 9.800 -10.686 -0.898 1.00 0.00 O ATOM 223 CB THR A 14 12.076 -8.049 -1.589 1.00 0.00 C ATOM 224 OG1 THR A 14 11.588 -7.397 -2.758 1.00 0.00 O ATOM 225 CG2 THR A 14 13.589 -7.823 -1.642 1.00 0.00 C ATOM 0 H THR A 14 9.995 -9.398 -3.009 1.00 0.00 H new ATOM 0 HA THR A 14 12.614 -10.107 -1.803 1.00 0.00 H new ATOM 0 HB THR A 14 11.690 -7.705 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.407 -6.455 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.804 -6.765 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.072 -8.407 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.970 -8.136 -2.614 1.00 0.00 H new ATOM 233 N GLU A 15 11.335 -9.889 0.560 1.00 0.00 N ATOM 234 CA GLU A 15 10.634 -10.377 1.736 1.00 0.00 C ATOM 235 C GLU A 15 9.789 -9.261 2.352 1.00 0.00 C ATOM 236 O GLU A 15 8.631 -9.478 2.708 1.00 0.00 O ATOM 237 CB GLU A 15 11.616 -10.951 2.759 1.00 0.00 C ATOM 238 CG GLU A 15 11.401 -12.455 2.943 1.00 0.00 C ATOM 239 CD GLU A 15 11.378 -12.828 4.426 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.996 -12.137 5.250 1.00 0.00 O ATOM 241 OE2 GLU A 15 10.685 -13.877 4.713 1.00 0.00 O ATOM 0 H GLU A 15 12.206 -9.396 0.757 1.00 0.00 H new ATOM 0 HA GLU A 15 9.967 -11.183 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.639 -10.764 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.489 -10.442 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.462 -12.752 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.196 -13.004 2.439 1.00 0.00 H new ATOM 249 N ASP A 16 10.400 -8.090 2.460 1.00 0.00 N ATOM 250 CA ASP A 16 9.718 -6.940 3.028 1.00 0.00 C ATOM 251 C ASP A 16 8.648 -6.452 2.049 1.00 0.00 C ATOM 252 O ASP A 16 7.483 -6.309 2.416 1.00 0.00 O ATOM 253 CB ASP A 16 10.693 -5.787 3.275 1.00 0.00 C ATOM 254 CG ASP A 16 11.540 -5.918 4.543 1.00 0.00 C ATOM 255 OD1 ASP A 16 11.028 -6.255 5.620 1.00 0.00 O ATOM 256 OD2 ASP A 16 12.793 -5.654 4.391 1.00 0.00 O ATOM 0 H ASP A 16 11.360 -7.913 2.164 1.00 0.00 H new ATOM 0 HA ASP A 16 9.274 -7.246 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.360 -5.705 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.127 -4.857 3.329 1.00 0.00 H new ATOM 262 N ASP A 17 9.083 -6.209 0.820 1.00 0.00 N ATOM 263 CA ASP A 17 8.177 -5.740 -0.215 1.00 0.00 C ATOM 264 C ASP A 17 7.231 -6.875 -0.611 1.00 0.00 C ATOM 265 O ASP A 17 7.636 -8.035 -0.667 1.00 0.00 O ATOM 266 CB ASP A 17 8.947 -5.308 -1.465 1.00 0.00 C ATOM 267 CG ASP A 17 10.217 -4.500 -1.195 1.00 0.00 C ATOM 268 OD1 ASP A 17 11.337 -4.959 -1.466 1.00 0.00 O ATOM 269 OD2 ASP A 17 10.022 -3.334 -0.677 1.00 0.00 O ATOM 0 H ASP A 17 10.050 -6.328 0.519 1.00 0.00 H new ATOM 0 HA ASP A 17 7.624 -4.888 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.215 -6.198 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.284 -4.715 -2.095 1.00 0.00 H new ATOM 275 N LEU A 18 5.988 -6.501 -0.875 1.00 0.00 N ATOM 276 CA LEU A 18 4.981 -7.473 -1.265 1.00 0.00 C ATOM 277 C LEU A 18 4.279 -6.992 -2.537 1.00 0.00 C ATOM 278 O LEU A 18 4.284 -5.801 -2.840 1.00 0.00 O ATOM 279 CB LEU A 18 4.025 -7.749 -0.102 1.00 0.00 C ATOM 280 CG LEU A 18 3.896 -9.211 0.328 1.00 0.00 C ATOM 281 CD1 LEU A 18 5.079 -9.631 1.202 1.00 0.00 C ATOM 282 CD2 LEU A 18 2.554 -9.463 1.019 1.00 0.00 C ATOM 0 H LEU A 18 5.655 -5.538 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 18 5.446 -8.430 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.353 -7.166 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.036 -7.383 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 18 3.919 -9.834 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.963 -10.675 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.006 -9.512 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.112 -9.006 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.488 -10.510 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.476 -8.831 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.741 -9.228 0.332 1.00 0.00 H new ATOM 294 N SER A 19 3.692 -7.945 -3.247 1.00 0.00 N ATOM 295 CA SER A 19 2.989 -7.634 -4.480 1.00 0.00 C ATOM 296 C SER A 19 1.505 -7.400 -4.189 1.00 0.00 C ATOM 297 O SER A 19 0.933 -8.036 -3.306 1.00 0.00 O ATOM 298 CB SER A 19 3.157 -8.755 -5.508 1.00 0.00 C ATOM 299 OG SER A 19 4.524 -9.125 -5.675 1.00 0.00 O ATOM 0 H SER A 19 3.689 -8.933 -2.992 1.00 0.00 H new ATOM 0 HA SER A 19 3.420 -6.725 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.582 -9.625 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.749 -8.433 -6.466 1.00 0.00 H new ATOM 0 HG SER A 19 4.590 -9.844 -6.338 1.00 0.00 H new ATOM 305 N PHE A 20 0.924 -6.483 -4.950 1.00 0.00 N ATOM 306 CA PHE A 20 -0.482 -6.156 -4.786 1.00 0.00 C ATOM 307 C PHE A 20 -1.141 -5.873 -6.138 1.00 0.00 C ATOM 308 O PHE A 20 -0.457 -5.765 -7.155 1.00 0.00 O ATOM 309 CB PHE A 20 -0.550 -4.893 -3.925 1.00 0.00 C ATOM 310 CG PHE A 20 -1.111 -5.127 -2.522 1.00 0.00 C ATOM 311 CD1 PHE A 20 -2.457 -5.167 -2.325 1.00 0.00 C ATOM 312 CD2 PHE A 20 -0.266 -5.294 -1.470 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.978 -5.384 -1.022 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.787 -5.511 -0.166 1.00 0.00 C ATOM 315 CZ PHE A 20 -2.132 -5.550 0.030 1.00 0.00 C ATOM 0 H PHE A 20 1.402 -5.957 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.007 -6.992 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.451 -4.470 -3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.167 -4.152 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.129 -5.034 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.802 -5.262 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.046 -5.417 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.115 -5.645 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.529 -5.713 1.021 1.00 0.00 H new ATOM 325 N HIS A 21 -2.460 -5.761 -6.105 1.00 0.00 N ATOM 326 CA HIS A 21 -3.219 -5.493 -7.315 1.00 0.00 C ATOM 327 C HIS A 21 -4.128 -4.283 -7.094 1.00 0.00 C ATOM 328 O HIS A 21 -4.230 -3.774 -5.978 1.00 0.00 O ATOM 329 CB HIS A 21 -3.987 -6.738 -7.762 1.00 0.00 C ATOM 330 CG HIS A 21 -4.039 -6.924 -9.259 1.00 0.00 C ATOM 331 ND1 HIS A 21 -4.574 -8.052 -9.857 1.00 0.00 N ATOM 332 CD2 HIS A 21 -3.616 -6.115 -10.273 1.00 0.00 C ATOM 333 CE1 HIS A 21 -4.474 -7.917 -11.171 1.00 0.00 C ATOM 334 NE2 HIS A 21 -3.879 -6.716 -11.427 1.00 0.00 N ATOM 0 H HIS A 21 -3.023 -5.851 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.537 -5.247 -8.129 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.525 -7.617 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -5.005 -6.681 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.147 -5.149 -10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.805 -8.632 -11.910 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.671 -6.342 -12.353 1.00 0.00 H new ATOM 342 N LYS A 22 -4.765 -3.856 -8.174 1.00 0.00 N ATOM 343 CA LYS A 22 -5.662 -2.715 -8.111 1.00 0.00 C ATOM 344 C LYS A 22 -7.054 -3.188 -7.686 1.00 0.00 C ATOM 345 O LYS A 22 -7.297 -4.389 -7.570 1.00 0.00 O ATOM 346 CB LYS A 22 -5.651 -1.950 -9.437 1.00 0.00 C ATOM 347 CG LYS A 22 -6.181 -2.822 -10.577 1.00 0.00 C ATOM 348 CD LYS A 22 -6.678 -1.961 -11.740 1.00 0.00 C ATOM 349 CE LYS A 22 -5.654 -1.933 -12.877 1.00 0.00 C ATOM 350 NZ LYS A 22 -5.887 -0.764 -13.754 1.00 0.00 N ATOM 0 H LYS A 22 -4.678 -4.280 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.322 -2.005 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.261 -1.051 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.636 -1.625 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.393 -3.490 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.993 -3.450 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.626 -2.353 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.867 -0.946 -11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.646 -1.891 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.723 -2.852 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.977 -0.413 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.490 -1.045 -14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.358 -0.012 -13.212 1.00 0.00 H new ATOM 363 N GLY A 23 -7.932 -2.221 -7.466 1.00 0.00 N ATOM 364 CA GLY A 23 -9.293 -2.524 -7.058 1.00 0.00 C ATOM 365 C GLY A 23 -9.396 -2.637 -5.536 1.00 0.00 C ATOM 366 O GLY A 23 -10.493 -2.740 -4.990 1.00 0.00 O ATOM 0 H GLY A 23 -7.727 -1.226 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.966 -1.744 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.615 -3.458 -7.518 1.00 0.00 H new ATOM 370 N GLU A 24 -8.237 -2.615 -4.892 1.00 0.00 N ATOM 371 CA GLU A 24 -8.182 -2.714 -3.444 1.00 0.00 C ATOM 372 C GLU A 24 -7.978 -1.329 -2.825 1.00 0.00 C ATOM 373 O GLU A 24 -7.715 -0.361 -3.536 1.00 0.00 O ATOM 374 CB GLU A 24 -7.082 -3.680 -3.001 1.00 0.00 C ATOM 375 CG GLU A 24 -6.993 -4.880 -3.947 1.00 0.00 C ATOM 376 CD GLU A 24 -6.018 -5.929 -3.411 1.00 0.00 C ATOM 377 OE1 GLU A 24 -4.896 -6.054 -3.925 1.00 0.00 O ATOM 378 OE2 GLU A 24 -6.459 -6.631 -2.422 1.00 0.00 O ATOM 0 H GLU A 24 -7.329 -2.530 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.133 -3.113 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.124 -3.160 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.283 -4.026 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.980 -5.325 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.669 -4.547 -4.933 1.00 0.00 H new ATOM 386 N LYS A 25 -8.106 -1.281 -1.507 1.00 0.00 N ATOM 387 CA LYS A 25 -7.939 -0.032 -0.784 1.00 0.00 C ATOM 388 C LYS A 25 -6.962 -0.245 0.374 1.00 0.00 C ATOM 389 O LYS A 25 -6.919 -1.323 0.964 1.00 0.00 O ATOM 390 CB LYS A 25 -9.298 0.521 -0.348 1.00 0.00 C ATOM 391 CG LYS A 25 -9.764 1.634 -1.289 1.00 0.00 C ATOM 392 CD LYS A 25 -11.274 1.853 -1.174 1.00 0.00 C ATOM 393 CE LYS A 25 -11.636 3.320 -1.415 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.154 3.936 -0.173 1.00 0.00 N ATOM 0 H LYS A 25 -8.323 -2.087 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.505 0.728 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.035 -0.282 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.229 0.905 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.240 2.559 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.507 1.377 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.792 1.223 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.615 1.549 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.758 3.866 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.385 3.391 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.104 4.321 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.204 3.217 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.519 4.703 0.125 1.00 0.00 H new ATOM 407 N PHE A 26 -6.202 0.801 0.663 1.00 0.00 N ATOM 408 CA PHE A 26 -5.228 0.742 1.740 1.00 0.00 C ATOM 409 C PHE A 26 -5.547 1.773 2.825 1.00 0.00 C ATOM 410 O PHE A 26 -5.766 2.946 2.526 1.00 0.00 O ATOM 411 CB PHE A 26 -3.864 1.069 1.128 1.00 0.00 C ATOM 412 CG PHE A 26 -3.616 0.407 -0.229 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.263 -0.904 -0.292 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.751 1.130 -1.373 1.00 0.00 C ATOM 415 CE1 PHE A 26 -3.032 -1.519 -1.551 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.521 0.516 -2.633 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.167 -0.796 -2.695 1.00 0.00 C ATOM 0 H PHE A 26 -6.241 1.693 0.171 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.241 -0.246 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.778 2.150 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.082 0.758 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.158 -1.479 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.033 2.171 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.749 -2.560 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.627 1.090 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.993 -1.264 -3.653 1.00 0.00 H new ATOM 427 N GLN A 27 -5.563 1.298 4.061 1.00 0.00 N ATOM 428 CA GLN A 27 -5.851 2.164 5.192 1.00 0.00 C ATOM 429 C GLN A 27 -4.550 2.672 5.817 1.00 0.00 C ATOM 430 O GLN A 27 -3.526 1.991 5.768 1.00 0.00 O ATOM 431 CB GLN A 27 -6.712 1.441 6.230 1.00 0.00 C ATOM 432 CG GLN A 27 -8.197 1.742 6.017 1.00 0.00 C ATOM 433 CD GLN A 27 -8.831 0.729 5.061 1.00 0.00 C ATOM 434 OE1 GLN A 27 -8.693 0.807 3.852 1.00 0.00 O ATOM 435 NE2 GLN A 27 -9.532 -0.223 5.670 1.00 0.00 N ATOM 0 H GLN A 27 -5.381 0.324 4.305 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.418 3.023 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.542 0.366 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.415 1.749 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.717 1.719 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.314 2.749 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.607 -0.229 6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.995 -0.947 5.120 1.00 0.00 H new ATOM 444 N ILE A 28 -4.633 3.864 6.390 1.00 0.00 N ATOM 445 CA ILE A 28 -3.475 4.471 7.023 1.00 0.00 C ATOM 446 C ILE A 28 -3.110 3.677 8.279 1.00 0.00 C ATOM 447 O ILE A 28 -3.971 3.047 8.891 1.00 0.00 O ATOM 448 CB ILE A 28 -3.726 5.957 7.287 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.034 6.164 8.052 1.00 0.00 C ATOM 450 CG2 ILE A 28 -3.691 6.759 5.983 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.059 7.533 8.737 1.00 0.00 C ATOM 0 H ILE A 28 -5.484 4.425 6.429 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.613 4.430 6.358 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.921 6.333 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.877 6.081 7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.151 5.378 8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.872 7.812 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.714 6.648 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.462 6.389 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.000 7.654 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.229 7.603 9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.966 8.317 7.986 1.00 0.00 H new ATOM 463 N LEU A 29 -1.833 3.732 8.625 1.00 0.00 N ATOM 464 CA LEU A 29 -1.344 3.025 9.796 1.00 0.00 C ATOM 465 C LEU A 29 0.022 3.589 10.193 1.00 0.00 C ATOM 466 O LEU A 29 0.272 3.851 11.369 1.00 0.00 O ATOM 467 CB LEU A 29 -1.337 1.516 9.547 1.00 0.00 C ATOM 468 CG LEU A 29 -1.932 0.650 10.660 1.00 0.00 C ATOM 469 CD1 LEU A 29 -3.461 0.694 10.631 1.00 0.00 C ATOM 470 CD2 LEU A 29 -1.399 -0.782 10.586 1.00 0.00 C ATOM 0 H LEU A 29 -1.122 4.255 8.115 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.013 3.182 10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.886 1.317 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.307 1.200 9.379 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.616 1.062 11.618 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.858 0.070 11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.798 1.721 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.818 0.322 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.838 -1.375 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.664 -1.220 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.314 -0.773 10.693 1.00 0.00 H new ATOM 482 N ASN A 30 0.871 3.759 9.191 1.00 0.00 N ATOM 483 CA ASN A 30 2.205 4.287 9.421 1.00 0.00 C ATOM 484 C ASN A 30 2.167 5.813 9.333 1.00 0.00 C ATOM 485 O ASN A 30 1.310 6.378 8.655 1.00 0.00 O ATOM 486 CB ASN A 30 3.188 3.777 8.364 1.00 0.00 C ATOM 487 CG ASN A 30 4.464 3.240 9.017 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.436 3.950 9.217 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.406 1.951 9.336 1.00 0.00 N ATOM 0 H ASN A 30 0.661 3.540 8.217 1.00 0.00 H new ATOM 0 HA ASN A 30 2.532 3.959 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.718 2.990 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.439 4.584 7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.207 1.498 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.561 1.415 9.141 1.00 0.00 H new ATOM 496 N SER A 31 3.106 6.438 10.029 1.00 0.00 N ATOM 497 CA SER A 31 3.191 7.888 10.039 1.00 0.00 C ATOM 498 C SER A 31 4.619 8.328 10.365 1.00 0.00 C ATOM 499 O SER A 31 4.862 8.937 11.405 1.00 0.00 O ATOM 500 CB SER A 31 2.207 8.491 11.044 1.00 0.00 C ATOM 501 OG SER A 31 0.915 8.689 10.475 1.00 0.00 O ATOM 0 H SER A 31 3.815 5.966 10.590 1.00 0.00 H new ATOM 0 HA SER A 31 2.924 8.252 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.125 7.834 11.910 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.595 9.444 11.403 1.00 0.00 H new ATOM 0 HG SER A 31 0.762 8.024 9.772 1.00 0.00 H new ATOM 507 N SER A 32 5.527 8.000 9.457 1.00 0.00 N ATOM 508 CA SER A 32 6.925 8.353 9.636 1.00 0.00 C ATOM 509 C SER A 32 7.208 9.711 8.991 1.00 0.00 C ATOM 510 O SER A 32 7.496 10.685 9.686 1.00 0.00 O ATOM 511 CB SER A 32 7.843 7.282 9.043 1.00 0.00 C ATOM 512 OG SER A 32 7.920 6.126 9.872 1.00 0.00 O ATOM 0 H SER A 32 5.322 7.494 8.596 1.00 0.00 H new ATOM 0 HA SER A 32 7.128 8.416 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.477 6.997 8.057 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.842 7.696 8.905 1.00 0.00 H new ATOM 0 HG SER A 32 7.202 5.504 9.633 1.00 0.00 H new ATOM 518 N GLU A 33 7.117 9.734 7.668 1.00 0.00 N ATOM 519 CA GLU A 33 7.360 10.957 6.922 1.00 0.00 C ATOM 520 C GLU A 33 6.768 10.847 5.516 1.00 0.00 C ATOM 521 O GLU A 33 5.876 11.613 5.152 1.00 0.00 O ATOM 522 CB GLU A 33 8.855 11.276 6.864 1.00 0.00 C ATOM 523 CG GLU A 33 9.090 12.784 6.760 1.00 0.00 C ATOM 524 CD GLU A 33 9.362 13.198 5.312 1.00 0.00 C ATOM 525 OE1 GLU A 33 8.415 13.403 4.538 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.609 13.305 5.000 1.00 0.00 O ATOM 0 H GLU A 33 6.878 8.925 7.094 1.00 0.00 H new ATOM 0 HA GLU A 33 6.867 11.780 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.348 10.888 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.305 10.774 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.218 13.318 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.934 13.068 7.388 1.00 0.00 H new ATOM 534 N GLY A 34 7.288 9.889 4.763 1.00 0.00 N ATOM 535 CA GLY A 34 6.822 9.669 3.404 1.00 0.00 C ATOM 536 C GLY A 34 7.813 8.811 2.616 1.00 0.00 C ATOM 537 O GLY A 34 8.656 9.338 1.890 1.00 0.00 O ATOM 0 H GLY A 34 8.028 9.256 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.848 9.180 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.687 10.627 2.903 1.00 0.00 H new ATOM 541 N ASP A 35 7.681 7.504 2.786 1.00 0.00 N ATOM 542 CA ASP A 35 8.556 6.568 2.099 1.00 0.00 C ATOM 543 C ASP A 35 7.809 5.252 1.872 1.00 0.00 C ATOM 544 O ASP A 35 7.005 5.142 0.947 1.00 0.00 O ATOM 545 CB ASP A 35 9.802 6.266 2.933 1.00 0.00 C ATOM 546 CG ASP A 35 11.079 6.967 2.465 1.00 0.00 C ATOM 547 OD1 ASP A 35 11.918 6.372 1.773 1.00 0.00 O ATOM 548 OD2 ASP A 35 11.197 8.195 2.845 1.00 0.00 O ATOM 0 H ASP A 35 6.982 7.071 3.389 1.00 0.00 H new ATOM 0 HA ASP A 35 8.856 7.018 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.607 6.551 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.973 5.190 2.926 1.00 0.00 H new ATOM 554 N TRP A 36 8.102 4.287 2.729 1.00 0.00 N ATOM 555 CA TRP A 36 7.468 2.982 2.634 1.00 0.00 C ATOM 556 C TRP A 36 6.448 2.868 3.768 1.00 0.00 C ATOM 557 O TRP A 36 6.822 2.716 4.931 1.00 0.00 O ATOM 558 CB TRP A 36 8.511 1.863 2.652 1.00 0.00 C ATOM 559 CG TRP A 36 9.584 1.995 1.570 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.414 2.052 0.241 1.00 0.00 C ATOM 561 CD2 TRP A 36 11.010 2.084 1.779 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.620 2.171 -0.418 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.621 2.191 0.546 1.00 0.00 C ATOM 564 CE3 TRP A 36 11.757 2.075 2.968 1.00 0.00 C ATOM 565 CZ2 TRP A 36 13.008 2.297 0.384 1.00 0.00 C ATOM 566 CZ3 TRP A 36 13.142 2.182 2.791 1.00 0.00 C ATOM 567 CH2 TRP A 36 13.773 2.290 1.557 1.00 0.00 C ATOM 0 H TRP A 36 8.770 4.381 3.494 1.00 0.00 H new ATOM 0 HA TRP A 36 6.945 2.876 1.684 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.995 1.847 3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.004 0.906 2.531 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.454 2.010 -0.251 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.753 2.233 -1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.299 1.992 3.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.463 2.380 -0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.763 2.181 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.849 2.368 1.503 1.00 0.00 H new ATOM 578 N TRP A 37 5.180 2.943 3.391 1.00 0.00 N ATOM 579 CA TRP A 37 4.103 2.850 4.363 1.00 0.00 C ATOM 580 C TRP A 37 3.474 1.461 4.239 1.00 0.00 C ATOM 581 O TRP A 37 3.652 0.783 3.228 1.00 0.00 O ATOM 582 CB TRP A 37 3.093 3.983 4.172 1.00 0.00 C ATOM 583 CG TRP A 37 3.545 5.324 4.755 1.00 0.00 C ATOM 584 CD1 TRP A 37 4.759 5.658 5.213 1.00 0.00 C ATOM 585 CD2 TRP A 37 2.732 6.504 4.926 1.00 0.00 C ATOM 586 NE1 TRP A 37 4.788 6.962 5.665 1.00 0.00 N ATOM 587 CE2 TRP A 37 3.516 7.493 5.484 1.00 0.00 C ATOM 588 CE3 TRP A 37 1.378 6.729 4.620 1.00 0.00 C ATOM 589 CZ2 TRP A 37 3.038 8.774 5.784 1.00 0.00 C ATOM 590 CZ3 TRP A 37 0.915 8.014 4.925 1.00 0.00 C ATOM 591 CH2 TRP A 37 1.692 9.020 5.487 1.00 0.00 C ATOM 0 H TRP A 37 4.874 3.067 2.426 1.00 0.00 H new ATOM 0 HA TRP A 37 4.486 2.970 5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.900 4.108 3.107 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.149 3.697 4.636 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.608 4.991 5.227 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.594 7.447 6.059 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.745 5.970 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.673 9.531 6.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.119 8.240 4.708 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.259 9.988 5.694 1.00 0.00 H new ATOM 602 N GLU A 38 2.752 1.078 5.282 1.00 0.00 N ATOM 603 CA GLU A 38 2.096 -0.217 5.303 1.00 0.00 C ATOM 604 C GLU A 38 0.831 -0.186 4.441 1.00 0.00 C ATOM 605 O GLU A 38 0.278 0.882 4.184 1.00 0.00 O ATOM 606 CB GLU A 38 1.772 -0.645 6.736 1.00 0.00 C ATOM 607 CG GLU A 38 2.342 -2.033 7.036 1.00 0.00 C ATOM 608 CD GLU A 38 2.676 -2.179 8.521 1.00 0.00 C ATOM 609 OE1 GLU A 38 1.862 -1.806 9.380 1.00 0.00 O ATOM 610 OE2 GLU A 38 3.828 -2.704 8.772 1.00 0.00 O ATOM 0 H GLU A 38 2.607 1.643 6.119 1.00 0.00 H new ATOM 0 HA GLU A 38 2.780 -0.955 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.183 0.080 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.692 -0.652 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.621 -2.797 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.239 -2.198 6.440 1.00 0.00 H new ATOM 618 N ALA A 39 0.412 -1.370 4.019 1.00 0.00 N ATOM 619 CA ALA A 39 -0.776 -1.491 3.192 1.00 0.00 C ATOM 620 C ALA A 39 -1.768 -2.440 3.868 1.00 0.00 C ATOM 621 O ALA A 39 -1.683 -3.655 3.700 1.00 0.00 O ATOM 622 CB ALA A 39 -0.378 -1.965 1.793 1.00 0.00 C ATOM 0 H ALA A 39 0.874 -2.254 4.234 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.267 -0.524 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.269 -2.056 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.304 -1.243 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.115 -2.935 1.864 1.00 0.00 H new ATOM 628 N ARG A 40 -2.686 -1.848 4.618 1.00 0.00 N ATOM 629 CA ARG A 40 -3.693 -2.625 5.321 1.00 0.00 C ATOM 630 C ARG A 40 -4.952 -2.763 4.462 1.00 0.00 C ATOM 631 O ARG A 40 -5.560 -1.763 4.082 1.00 0.00 O ATOM 632 CB ARG A 40 -4.062 -1.972 6.654 1.00 0.00 C ATOM 633 CG ARG A 40 -4.391 -3.029 7.710 1.00 0.00 C ATOM 634 CD ARG A 40 -5.692 -2.689 8.440 1.00 0.00 C ATOM 635 NE ARG A 40 -5.453 -2.625 9.898 1.00 0.00 N ATOM 636 CZ ARG A 40 -6.185 -1.878 10.753 1.00 0.00 C ATOM 637 NH1 ARG A 40 -7.210 -1.126 10.301 1.00 0.00 N ATOM 638 NH2 ARG A 40 -5.882 -1.897 12.038 1.00 0.00 N ATOM 0 H ARG A 40 -2.754 -0.839 4.754 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.273 -3.611 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.235 -1.352 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.919 -1.313 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.481 -4.006 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.574 -3.097 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.079 -1.734 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.449 -3.442 8.220 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.688 -3.179 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.437 -1.119 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.757 -0.565 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.106 -2.469 12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.424 -1.339 12.698 1.00 0.00 H new ATOM 651 N SER A 41 -5.306 -4.008 4.181 1.00 0.00 N ATOM 652 CA SER A 41 -6.481 -4.288 3.374 1.00 0.00 C ATOM 653 C SER A 41 -7.503 -5.076 4.195 1.00 0.00 C ATOM 654 O SER A 41 -7.143 -6.007 4.915 1.00 0.00 O ATOM 655 CB SER A 41 -6.108 -5.063 2.108 1.00 0.00 C ATOM 656 OG SER A 41 -4.890 -5.785 2.263 1.00 0.00 O ATOM 0 H SER A 41 -4.799 -4.835 4.498 1.00 0.00 H new ATOM 0 HA SER A 41 -6.921 -3.338 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.911 -5.756 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.014 -4.369 1.273 1.00 0.00 H new ATOM 0 HG SER A 41 -4.688 -6.267 1.434 1.00 0.00 H new ATOM 662 N LEU A 42 -8.759 -4.674 4.061 1.00 0.00 N ATOM 663 CA LEU A 42 -9.836 -5.331 4.782 1.00 0.00 C ATOM 664 C LEU A 42 -10.376 -6.488 3.940 1.00 0.00 C ATOM 665 O LEU A 42 -11.530 -6.886 4.093 1.00 0.00 O ATOM 666 CB LEU A 42 -10.905 -4.316 5.189 1.00 0.00 C ATOM 667 CG LEU A 42 -11.944 -4.804 6.200 1.00 0.00 C ATOM 668 CD1 LEU A 42 -11.442 -4.624 7.634 1.00 0.00 C ATOM 669 CD2 LEU A 42 -13.293 -4.119 5.975 1.00 0.00 C ATOM 0 H LEU A 42 -9.054 -3.902 3.464 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.465 -5.760 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.406 -3.440 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.428 -3.989 4.290 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.095 -5.872 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.200 -4.979 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.525 -5.196 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.243 -3.569 7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.013 -4.484 6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.177 -3.041 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.652 -4.343 4.970 1.00 0.00 H new ATOM 681 N THR A 43 -9.516 -6.996 3.068 1.00 0.00 N ATOM 682 CA THR A 43 -9.893 -8.099 2.202 1.00 0.00 C ATOM 683 C THR A 43 -9.084 -9.351 2.549 1.00 0.00 C ATOM 684 O THR A 43 -9.578 -10.241 3.239 1.00 0.00 O ATOM 685 CB THR A 43 -9.715 -7.644 0.752 1.00 0.00 C ATOM 686 OG1 THR A 43 -8.839 -6.524 0.845 1.00 0.00 O ATOM 687 CG2 THR A 43 -11.000 -7.064 0.158 1.00 0.00 C ATOM 0 H THR A 43 -8.560 -6.663 2.943 1.00 0.00 H new ATOM 0 HA THR A 43 -10.938 -8.375 2.346 1.00 0.00 H new ATOM 0 HB THR A 43 -9.383 -8.487 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.023 -6.704 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.818 -6.757 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.784 -7.821 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.314 -6.200 0.744 1.00 0.00 H new ATOM 695 N THR A 44 -7.856 -9.378 2.055 1.00 0.00 N ATOM 696 CA THR A 44 -6.973 -10.506 2.304 1.00 0.00 C ATOM 697 C THR A 44 -6.332 -10.385 3.689 1.00 0.00 C ATOM 698 O THR A 44 -6.196 -11.378 4.402 1.00 0.00 O ATOM 699 CB THR A 44 -5.952 -10.569 1.166 1.00 0.00 C ATOM 700 OG1 THR A 44 -5.253 -9.331 1.258 1.00 0.00 O ATOM 701 CG2 THR A 44 -6.612 -10.524 -0.214 1.00 0.00 C ATOM 0 H THR A 44 -7.450 -8.637 1.483 1.00 0.00 H new ATOM 0 HA THR A 44 -7.526 -11.445 2.316 1.00 0.00 H new ATOM 0 HB THR A 44 -5.362 -11.481 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.570 -9.288 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.844 -10.572 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.288 -11.372 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.174 -9.596 -0.318 1.00 0.00 H new ATOM 709 N GLY A 45 -5.957 -9.160 4.027 1.00 0.00 N ATOM 710 CA GLY A 45 -5.334 -8.897 5.313 1.00 0.00 C ATOM 711 C GLY A 45 -3.833 -9.190 5.265 1.00 0.00 C ATOM 712 O GLY A 45 -3.290 -9.814 6.176 1.00 0.00 O ATOM 0 H GLY A 45 -6.073 -8.339 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.496 -7.856 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.804 -9.511 6.081 1.00 0.00 H new ATOM 716 N GLU A 46 -3.206 -8.726 4.194 1.00 0.00 N ATOM 717 CA GLU A 46 -1.779 -8.931 4.017 1.00 0.00 C ATOM 718 C GLU A 46 -1.047 -7.586 4.001 1.00 0.00 C ATOM 719 O GLU A 46 -1.421 -6.681 3.258 1.00 0.00 O ATOM 720 CB GLU A 46 -1.493 -9.724 2.740 1.00 0.00 C ATOM 721 CG GLU A 46 -2.435 -10.924 2.618 1.00 0.00 C ATOM 722 CD GLU A 46 -1.853 -12.150 3.323 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.017 -12.008 4.228 1.00 0.00 O ATOM 724 OE2 GLU A 46 -2.300 -13.285 2.901 1.00 0.00 O ATOM 0 H GLU A 46 -3.660 -8.209 3.441 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.409 -9.515 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.609 -9.076 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.459 -10.068 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.404 -10.676 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.606 -11.152 1.566 1.00 0.00 H new ATOM 732 N THR A 47 -0.018 -7.499 4.831 1.00 0.00 N ATOM 733 CA THR A 47 0.769 -6.281 4.923 1.00 0.00 C ATOM 734 C THR A 47 1.948 -6.333 3.950 1.00 0.00 C ATOM 735 O THR A 47 2.224 -7.375 3.359 1.00 0.00 O ATOM 736 CB THR A 47 1.192 -6.100 6.382 1.00 0.00 C ATOM 737 OG1 THR A 47 1.487 -7.423 6.824 1.00 0.00 O ATOM 738 CG2 THR A 47 0.034 -5.657 7.278 1.00 0.00 C ATOM 0 H THR A 47 0.289 -8.252 5.446 1.00 0.00 H new ATOM 0 HA THR A 47 0.184 -5.409 4.629 1.00 0.00 H new ATOM 0 HB THR A 47 1.995 -5.365 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.772 -7.399 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.389 -5.544 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.357 -4.704 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.756 -6.407 7.249 1.00 0.00 H new ATOM 746 N GLY A 48 2.611 -5.194 3.813 1.00 0.00 N ATOM 747 CA GLY A 48 3.754 -5.097 2.920 1.00 0.00 C ATOM 748 C GLY A 48 4.153 -3.636 2.698 1.00 0.00 C ATOM 749 O GLY A 48 3.293 -2.771 2.542 1.00 0.00 O ATOM 0 H GLY A 48 2.379 -4.331 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.596 -5.648 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.514 -5.562 1.964 1.00 0.00 H new ATOM 753 N TYR A 49 5.458 -3.408 2.689 1.00 0.00 N ATOM 754 CA TYR A 49 5.981 -2.067 2.488 1.00 0.00 C ATOM 755 C TYR A 49 6.216 -1.788 1.002 1.00 0.00 C ATOM 756 O TYR A 49 6.918 -2.541 0.328 1.00 0.00 O ATOM 757 CB TYR A 49 7.324 -2.024 3.221 1.00 0.00 C ATOM 758 CG TYR A 49 7.252 -2.490 4.677 1.00 0.00 C ATOM 759 CD1 TYR A 49 6.569 -1.737 5.610 1.00 0.00 C ATOM 760 CD2 TYR A 49 7.872 -3.664 5.056 1.00 0.00 C ATOM 761 CE1 TYR A 49 6.503 -2.176 6.980 1.00 0.00 C ATOM 762 CE2 TYR A 49 7.806 -4.102 6.426 1.00 0.00 C ATOM 763 CZ TYR A 49 7.124 -3.337 7.320 1.00 0.00 C ATOM 764 OH TYR A 49 7.061 -3.751 8.615 1.00 0.00 O ATOM 0 H TYR A 49 6.168 -4.129 2.818 1.00 0.00 H new ATOM 0 HA TYR A 49 5.278 -1.321 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.039 -2.648 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.708 -1.004 3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.084 -0.819 5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.406 -4.253 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.972 -1.596 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.287 -5.018 6.737 1.00 0.00 H new ATOM 0 HH TYR A 49 7.548 -4.596 8.712 1.00 0.00 H new ATOM 774 N ILE A 50 5.615 -0.704 0.534 1.00 0.00 N ATOM 775 CA ILE A 50 5.750 -0.316 -0.859 1.00 0.00 C ATOM 776 C ILE A 50 5.614 1.204 -0.977 1.00 0.00 C ATOM 777 O ILE A 50 5.155 1.863 -0.046 1.00 0.00 O ATOM 778 CB ILE A 50 4.758 -1.091 -1.730 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.477 -1.405 -0.954 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.404 -2.353 -2.306 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.296 -0.597 -1.495 1.00 0.00 C ATOM 0 H ILE A 50 5.033 -0.082 1.095 1.00 0.00 H new ATOM 0 HA ILE A 50 6.740 -0.578 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 50 4.477 -0.460 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.256 -2.470 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.623 -1.179 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.678 -2.885 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.263 -2.076 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.732 -2.998 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.398 -0.839 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.510 0.468 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.137 -0.843 -2.545 1.00 0.00 H new ATOM 793 N PRO A 51 6.032 1.728 -2.159 1.00 0.00 N ATOM 794 CA PRO A 51 5.963 3.157 -2.411 1.00 0.00 C ATOM 795 C PRO A 51 4.656 3.527 -3.115 1.00 0.00 C ATOM 796 O PRO A 51 4.565 3.456 -4.339 1.00 0.00 O ATOM 797 CB PRO A 51 7.195 3.472 -3.243 1.00 0.00 C ATOM 798 CG PRO A 51 7.660 2.144 -3.818 1.00 0.00 C ATOM 799 CD PRO A 51 6.943 1.034 -3.065 1.00 0.00 C ATOM 0 HA PRO A 51 5.959 3.745 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.959 4.180 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.974 3.927 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.436 2.090 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.740 2.040 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.400 0.379 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.647 0.409 -2.516 1.00 0.00 H new ATOM 807 N SER A 52 3.676 3.914 -2.311 1.00 0.00 N ATOM 808 CA SER A 52 2.379 4.295 -2.841 1.00 0.00 C ATOM 809 C SER A 52 2.296 5.817 -2.982 1.00 0.00 C ATOM 810 O SER A 52 1.331 6.434 -2.535 1.00 0.00 O ATOM 811 CB SER A 52 1.246 3.783 -1.948 1.00 0.00 C ATOM 812 OG SER A 52 1.621 2.610 -1.231 1.00 0.00 O ATOM 0 H SER A 52 3.755 3.972 -1.296 1.00 0.00 H new ATOM 0 HA SER A 52 2.265 3.839 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.959 4.563 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.370 3.569 -2.560 1.00 0.00 H new ATOM 0 HG SER A 52 0.872 2.315 -0.671 1.00 0.00 H new ATOM 818 N ASN A 53 3.323 6.377 -3.604 1.00 0.00 N ATOM 819 CA ASN A 53 3.380 7.815 -3.809 1.00 0.00 C ATOM 820 C ASN A 53 2.934 8.139 -5.236 1.00 0.00 C ATOM 821 O ASN A 53 2.743 9.305 -5.581 1.00 0.00 O ATOM 822 CB ASN A 53 4.804 8.342 -3.627 1.00 0.00 C ATOM 823 CG ASN A 53 5.033 8.820 -2.193 1.00 0.00 C ATOM 824 OD1 ASN A 53 5.287 9.984 -1.931 1.00 0.00 O ATOM 825 ND2 ASN A 53 4.929 7.858 -1.278 1.00 0.00 N ATOM 0 H ASN A 53 4.122 5.861 -3.973 1.00 0.00 H new ATOM 0 HA ASN A 53 2.726 8.287 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.520 7.557 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.983 9.163 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.064 8.076 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.714 6.903 -1.564 1.00 0.00 H new ATOM 832 N TYR A 54 2.780 7.089 -6.028 1.00 0.00 N ATOM 833 CA TYR A 54 2.360 7.247 -7.410 1.00 0.00 C ATOM 834 C TYR A 54 0.837 7.158 -7.534 1.00 0.00 C ATOM 835 O TYR A 54 0.288 7.344 -8.618 1.00 0.00 O ATOM 836 CB TYR A 54 2.992 6.086 -8.179 1.00 0.00 C ATOM 837 CG TYR A 54 4.390 6.388 -8.723 1.00 0.00 C ATOM 838 CD1 TYR A 54 5.499 6.183 -7.927 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.542 6.864 -10.010 1.00 0.00 C ATOM 840 CE1 TYR A 54 6.815 6.467 -8.439 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.858 7.147 -10.522 1.00 0.00 C ATOM 842 CZ TYR A 54 6.930 6.935 -9.712 1.00 0.00 C ATOM 843 OH TYR A 54 8.172 7.203 -10.195 1.00 0.00 O ATOM 0 H TYR A 54 2.939 6.124 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 54 2.667 8.219 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.048 5.217 -7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.340 5.816 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.380 5.810 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.674 7.024 -10.633 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.691 6.312 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.991 7.519 -11.527 1.00 0.00 H new ATOM 0 HH TYR A 54 8.101 7.529 -11.116 1.00 0.00 H new ATOM 853 N VAL A 55 0.200 6.873 -6.408 1.00 0.00 N ATOM 854 CA VAL A 55 -1.248 6.757 -6.377 1.00 0.00 C ATOM 855 C VAL A 55 -1.853 8.085 -5.919 1.00 0.00 C ATOM 856 O VAL A 55 -1.144 9.082 -5.790 1.00 0.00 O ATOM 857 CB VAL A 55 -1.659 5.576 -5.495 1.00 0.00 C ATOM 858 CG1 VAL A 55 -0.988 4.283 -5.962 1.00 0.00 C ATOM 859 CG2 VAL A 55 -1.346 5.856 -4.024 1.00 0.00 C ATOM 0 H VAL A 55 0.660 6.719 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.636 6.551 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.737 5.446 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.297 3.460 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.283 4.071 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.095 4.396 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.648 5.001 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.276 6.025 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.891 6.742 -3.698 1.00 0.00 H new ATOM 869 N ALA A 56 -3.157 8.055 -5.683 1.00 0.00 N ATOM 870 CA ALA A 56 -3.865 9.245 -5.242 1.00 0.00 C ATOM 871 C ALA A 56 -5.197 8.835 -4.611 1.00 0.00 C ATOM 872 O ALA A 56 -5.733 7.772 -4.920 1.00 0.00 O ATOM 873 CB ALA A 56 -4.047 10.199 -6.424 1.00 0.00 C ATOM 0 H ALA A 56 -3.741 7.226 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.290 9.775 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.578 11.091 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.070 10.483 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.622 9.704 -7.206 1.00 0.00 H new ATOM 879 N PRO A 57 -5.707 9.723 -3.716 1.00 0.00 N ATOM 880 CA PRO A 57 -6.967 9.464 -3.039 1.00 0.00 C ATOM 881 C PRO A 57 -8.154 9.799 -3.945 1.00 0.00 C ATOM 882 O PRO A 57 -7.981 10.036 -5.139 1.00 0.00 O ATOM 883 CB PRO A 57 -6.919 10.316 -1.782 1.00 0.00 C ATOM 884 CG PRO A 57 -5.851 11.368 -2.030 1.00 0.00 C ATOM 885 CD PRO A 57 -5.044 10.934 -3.244 1.00 0.00 C ATOM 0 HA PRO A 57 -7.102 8.412 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.886 10.780 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.675 9.710 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.308 12.342 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.205 11.469 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.038 11.707 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.005 10.739 -2.980 1.00 0.00 H new ATOM 893 N VAL A 58 -9.333 9.806 -3.341 1.00 0.00 N ATOM 894 CA VAL A 58 -10.548 10.107 -4.078 1.00 0.00 C ATOM 895 C VAL A 58 -11.291 11.251 -3.383 1.00 0.00 C ATOM 896 O VAL A 58 -11.583 11.171 -2.191 1.00 0.00 O ATOM 897 CB VAL A 58 -11.399 8.844 -4.223 1.00 0.00 C ATOM 898 CG1 VAL A 58 -11.187 8.195 -5.593 1.00 0.00 C ATOM 899 CG2 VAL A 58 -11.105 7.852 -3.096 1.00 0.00 C ATOM 0 H VAL A 58 -9.473 9.608 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.309 10.440 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.447 9.136 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.803 7.299 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.469 8.898 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.137 7.925 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.723 6.963 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.053 7.569 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.329 8.316 -2.135 1.00 0.00 H new ATOM 909 N ASP A 59 -11.574 12.287 -4.158 1.00 0.00 N ATOM 910 CA ASP A 59 -12.277 13.445 -3.632 1.00 0.00 C ATOM 911 C ASP A 59 -13.700 13.473 -4.194 1.00 0.00 C ATOM 912 O ASP A 59 -14.582 12.776 -3.694 1.00 0.00 O ATOM 913 CB ASP A 59 -11.581 14.744 -4.041 1.00 0.00 C ATOM 914 CG ASP A 59 -11.260 15.698 -2.889 1.00 0.00 C ATOM 915 OD1 ASP A 59 -10.124 16.177 -2.753 1.00 0.00 O ATOM 916 OD2 ASP A 59 -12.248 15.948 -2.097 1.00 0.00 O ATOM 0 H ASP A 59 -11.329 12.349 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.287 13.368 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.653 14.495 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.213 15.266 -4.759 1.00 0.00 H new TER 922 ASP A 59