USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -62:sc= 0.135 USER MOD Single : A 6 SER OG : rot 20:sc= 0.0372 USER MOD Single : A 8 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.96) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 70:sc= 0.154 USER MOD Single : A 17 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 33:sc= 0.446 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00151 X(o=-0.0015,f=-0.21) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0.21 K(o=0.21,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.0727 (180deg=-0.411) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.79 F(o=-1.3,f=-0.79) USER MOD Single : A 60 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -61:sc= 0 USER MOD Single : A 76 SER OG : rot 42:sc= 0.811 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.407 -3.957 -17.511 1.00 0.00 N ATOM 2 CA GLY A 1 4.774 -5.361 -17.521 1.00 0.00 C ATOM 3 C GLY A 1 5.550 -5.767 -16.284 1.00 0.00 C ATOM 4 O GLY A 1 6.651 -5.270 -16.044 1.00 0.00 O ATOM 0 H1 GLY A 1 3.879 -3.730 -18.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.812 -3.760 -16.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.267 -3.374 -17.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.872 -5.968 -17.596 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.374 -5.570 -18.407 1.00 0.00 H new ATOM 8 N SER A 2 4.976 -6.670 -15.497 1.00 0.00 N ATOM 9 CA SER A 2 5.620 -7.138 -14.275 1.00 0.00 C ATOM 10 C SER A 2 6.530 -8.329 -14.561 1.00 0.00 C ATOM 11 O SER A 2 6.060 -9.422 -14.875 1.00 0.00 O ATOM 12 CB SER A 2 4.567 -7.525 -13.235 1.00 0.00 C ATOM 13 OG SER A 2 3.793 -6.402 -12.849 1.00 0.00 O ATOM 0 H SER A 2 4.066 -7.092 -15.683 1.00 0.00 H new ATOM 0 HA SER A 2 6.229 -6.325 -13.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.915 -8.297 -13.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.056 -7.952 -12.359 1.00 0.00 H new ATOM 0 HG SER A 2 3.126 -6.677 -12.185 1.00 0.00 H new ATOM 19 N SER A 3 7.836 -8.107 -14.451 1.00 0.00 N ATOM 20 CA SER A 3 8.814 -9.160 -14.701 1.00 0.00 C ATOM 21 C SER A 3 8.629 -10.316 -13.724 1.00 0.00 C ATOM 22 O SER A 3 8.305 -11.434 -14.121 1.00 0.00 O ATOM 23 CB SER A 3 10.234 -8.603 -14.588 1.00 0.00 C ATOM 24 OG SER A 3 11.178 -9.494 -15.156 1.00 0.00 O ATOM 0 H SER A 3 8.241 -7.208 -14.191 1.00 0.00 H new ATOM 0 HA SER A 3 8.658 -9.534 -15.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.291 -7.638 -15.092 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.478 -8.430 -13.540 1.00 0.00 H new ATOM 0 HG SER A 3 12.078 -9.114 -15.073 1.00 0.00 H new ATOM 30 N GLY A 4 8.840 -10.038 -12.441 1.00 0.00 N ATOM 31 CA GLY A 4 8.693 -11.064 -11.425 1.00 0.00 C ATOM 32 C GLY A 4 9.373 -10.692 -10.122 1.00 0.00 C ATOM 33 O GLY A 4 8.718 -10.555 -9.089 1.00 0.00 O ATOM 0 H GLY A 4 9.110 -9.120 -12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.633 -11.239 -11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.111 -12.000 -11.795 1.00 0.00 H new ATOM 37 N SER A 5 10.691 -10.531 -10.170 1.00 0.00 N ATOM 38 CA SER A 5 11.462 -10.178 -8.983 1.00 0.00 C ATOM 39 C SER A 5 11.625 -8.665 -8.871 1.00 0.00 C ATOM 40 O SER A 5 12.742 -8.156 -8.772 1.00 0.00 O ATOM 41 CB SER A 5 12.836 -10.849 -9.023 1.00 0.00 C ATOM 42 OG SER A 5 13.516 -10.693 -7.790 1.00 0.00 O ATOM 0 H SER A 5 11.248 -10.639 -11.018 1.00 0.00 H new ATOM 0 HA SER A 5 10.918 -10.533 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.720 -11.910 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.432 -10.417 -9.827 1.00 0.00 H new ATOM 0 HG SER A 5 13.662 -9.740 -7.615 1.00 0.00 H new ATOM 48 N SER A 6 10.504 -7.952 -8.888 1.00 0.00 N ATOM 49 CA SER A 6 10.521 -6.497 -8.793 1.00 0.00 C ATOM 50 C SER A 6 9.345 -5.993 -7.963 1.00 0.00 C ATOM 51 O SER A 6 8.399 -6.732 -7.693 1.00 0.00 O ATOM 52 CB SER A 6 10.480 -5.873 -10.189 1.00 0.00 C ATOM 53 OG SER A 6 11.766 -5.866 -10.783 1.00 0.00 O ATOM 0 H SER A 6 9.572 -8.358 -8.967 1.00 0.00 H new ATOM 0 HA SER A 6 11.446 -6.201 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.788 -6.431 -10.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.101 -4.853 -10.124 1.00 0.00 H new ATOM 0 HG SER A 6 12.337 -6.524 -10.335 1.00 0.00 H new ATOM 59 N GLY A 7 9.411 -4.727 -7.560 1.00 0.00 N ATOM 60 CA GLY A 7 8.347 -4.145 -6.765 1.00 0.00 C ATOM 61 C GLY A 7 8.861 -3.489 -5.499 1.00 0.00 C ATOM 62 O GLY A 7 9.527 -4.131 -4.687 1.00 0.00 O ATOM 0 H GLY A 7 10.183 -4.095 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.814 -3.406 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.628 -4.921 -6.502 1.00 0.00 H new ATOM 66 N GLN A 8 8.554 -2.207 -5.332 1.00 0.00 N ATOM 67 CA GLN A 8 8.993 -1.463 -4.156 1.00 0.00 C ATOM 68 C GLN A 8 8.085 -1.746 -2.964 1.00 0.00 C ATOM 69 O GLN A 8 6.913 -1.369 -2.959 1.00 0.00 O ATOM 70 CB GLN A 8 9.012 0.037 -4.453 1.00 0.00 C ATOM 71 CG GLN A 8 10.201 0.476 -5.293 1.00 0.00 C ATOM 72 CD GLN A 8 10.364 -0.353 -6.552 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.811 -0.023 -7.602 1.00 0.00 O ATOM 74 NE2 GLN A 8 11.126 -1.436 -6.453 1.00 0.00 N ATOM 0 H GLN A 8 8.003 -1.662 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 8 10.003 -1.789 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.092 0.308 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.021 0.585 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.081 1.524 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.110 0.404 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.565 -1.671 -5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.273 -2.033 -7.267 1.00 0.00 H new ATOM 83 N TYR A 9 8.634 -2.412 -1.954 1.00 0.00 N ATOM 84 CA TYR A 9 7.874 -2.748 -0.756 1.00 0.00 C ATOM 85 C TYR A 9 7.970 -1.634 0.281 1.00 0.00 C ATOM 86 O TYR A 9 8.961 -0.905 0.336 1.00 0.00 O ATOM 87 CB TYR A 9 8.378 -4.062 -0.158 1.00 0.00 C ATOM 88 CG TYR A 9 8.653 -5.132 -1.191 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.664 -5.540 -2.077 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.902 -5.733 -1.281 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.910 -6.518 -3.021 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.158 -6.710 -2.224 1.00 0.00 C ATOM 93 CZ TYR A 9 9.159 -7.100 -3.091 1.00 0.00 C ATOM 94 OH TYR A 9 9.409 -8.073 -4.031 1.00 0.00 O ATOM 0 H TYR A 9 9.603 -2.730 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 9 6.828 -2.864 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.291 -3.869 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.640 -4.435 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.686 -5.085 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.686 -5.432 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.129 -6.825 -3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.135 -7.166 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 9 10.337 -8.378 -3.947 1.00 0.00 H new ATOM 104 N PHE A 10 6.934 -1.508 1.103 1.00 0.00 N ATOM 105 CA PHE A 10 6.900 -0.482 2.139 1.00 0.00 C ATOM 106 C PHE A 10 6.232 -1.011 3.405 1.00 0.00 C ATOM 107 O PHE A 10 5.507 -2.005 3.370 1.00 0.00 O ATOM 108 CB PHE A 10 6.156 0.757 1.636 1.00 0.00 C ATOM 109 CG PHE A 10 7.018 1.689 0.833 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.353 1.387 -0.477 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.494 2.865 1.389 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.146 2.243 -1.219 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.287 3.724 0.652 1.00 0.00 C ATOM 114 CZ PHE A 10 8.614 3.412 -0.653 1.00 0.00 C ATOM 0 H PHE A 10 6.107 -2.104 1.072 1.00 0.00 H new ATOM 0 HA PHE A 10 7.927 -0.208 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.310 0.440 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.748 1.298 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.991 0.473 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.243 3.113 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.399 1.997 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.651 4.639 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.235 4.081 -1.230 1.00 0.00 H new ATOM 124 N VAL A 11 6.484 -0.339 4.524 1.00 0.00 N ATOM 125 CA VAL A 11 5.908 -0.739 5.803 1.00 0.00 C ATOM 126 C VAL A 11 5.038 0.370 6.385 1.00 0.00 C ATOM 127 O VAL A 11 5.450 1.528 6.447 1.00 0.00 O ATOM 128 CB VAL A 11 7.003 -1.106 6.821 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.890 0.095 7.109 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.380 -1.639 8.103 1.00 0.00 C ATOM 0 H VAL A 11 7.083 0.485 4.571 1.00 0.00 H new ATOM 0 HA VAL A 11 5.291 -1.617 5.612 1.00 0.00 H new ATOM 0 HB VAL A 11 7.625 -1.891 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.658 -0.184 7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.364 0.427 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.285 0.904 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.168 -1.894 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.733 -0.877 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.792 -2.529 7.879 1.00 0.00 H new ATOM 140 N ALA A 12 3.833 0.007 6.811 1.00 0.00 N ATOM 141 CA ALA A 12 2.906 0.971 7.391 1.00 0.00 C ATOM 142 C ALA A 12 3.324 1.350 8.808 1.00 0.00 C ATOM 143 O ALA A 12 3.140 0.577 9.749 1.00 0.00 O ATOM 144 CB ALA A 12 1.492 0.410 7.389 1.00 0.00 C ATOM 0 H ALA A 12 3.476 -0.947 6.765 1.00 0.00 H new ATOM 0 HA ALA A 12 2.929 1.873 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.810 1.140 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.187 0.195 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.464 -0.508 7.976 1.00 0.00 H new ATOM 150 N LEU A 13 3.888 2.544 8.953 1.00 0.00 N ATOM 151 CA LEU A 13 4.333 3.027 10.256 1.00 0.00 C ATOM 152 C LEU A 13 3.151 3.208 11.202 1.00 0.00 C ATOM 153 O LEU A 13 3.261 2.963 12.404 1.00 0.00 O ATOM 154 CB LEU A 13 5.085 4.350 10.102 1.00 0.00 C ATOM 155 CG LEU A 13 6.331 4.315 9.215 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.585 5.681 8.598 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.541 3.854 10.014 1.00 0.00 C ATOM 0 H LEU A 13 4.048 3.196 8.185 1.00 0.00 H new ATOM 0 HA LEU A 13 5.005 2.282 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.396 5.091 9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.379 4.695 11.093 1.00 0.00 H new ATOM 0 HG LEU A 13 6.160 3.602 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.475 5.637 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.727 5.971 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.735 6.415 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.418 3.835 9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.715 4.542 10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.358 2.854 10.407 1.00 0.00 H new ATOM 169 N PHE A 14 2.020 3.637 10.653 1.00 0.00 N ATOM 170 CA PHE A 14 0.816 3.850 11.448 1.00 0.00 C ATOM 171 C PHE A 14 -0.399 3.215 10.777 1.00 0.00 C ATOM 172 O PHE A 14 -0.311 2.714 9.656 1.00 0.00 O ATOM 173 CB PHE A 14 0.574 5.347 11.655 1.00 0.00 C ATOM 174 CG PHE A 14 1.817 6.111 12.011 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.392 5.978 13.265 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.409 6.963 11.093 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.536 6.680 13.596 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.553 7.667 11.419 1.00 0.00 C ATOM 179 CZ PHE A 14 4.116 7.526 12.672 1.00 0.00 C ATOM 0 H PHE A 14 1.912 3.844 9.660 1.00 0.00 H new ATOM 0 HA PHE A 14 0.963 3.375 12.418 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.147 5.767 10.744 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.165 5.482 12.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.941 5.318 13.992 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.972 7.078 10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.975 6.567 14.576 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.006 8.327 10.694 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.009 8.077 12.929 1.00 0.00 H new ATOM 189 N ASP A 15 -1.531 3.240 11.471 1.00 0.00 N ATOM 190 CA ASP A 15 -2.764 2.667 10.944 1.00 0.00 C ATOM 191 C ASP A 15 -3.523 3.691 10.105 1.00 0.00 C ATOM 192 O ASP A 15 -3.498 4.887 10.395 1.00 0.00 O ATOM 193 CB ASP A 15 -3.650 2.169 12.086 1.00 0.00 C ATOM 194 CG ASP A 15 -2.936 1.174 12.981 1.00 0.00 C ATOM 195 OD1 ASP A 15 -1.949 1.568 13.636 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.364 0.002 13.025 1.00 0.00 O ATOM 0 H ASP A 15 -1.621 3.651 12.400 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.500 1.824 10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.980 3.019 12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.545 1.704 11.672 1.00 0.00 H new ATOM 201 N TYR A 16 -4.194 3.213 9.063 1.00 0.00 N ATOM 202 CA TYR A 16 -4.958 4.087 8.180 1.00 0.00 C ATOM 203 C TYR A 16 -6.221 3.390 7.683 1.00 0.00 C ATOM 204 O TYR A 16 -6.174 2.249 7.226 1.00 0.00 O ATOM 205 CB TYR A 16 -4.099 4.519 6.990 1.00 0.00 C ATOM 206 CG TYR A 16 -4.835 5.390 5.997 1.00 0.00 C ATOM 207 CD1 TYR A 16 -4.901 6.768 6.166 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.464 4.836 4.889 1.00 0.00 C ATOM 209 CE1 TYR A 16 -5.573 7.567 5.262 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.137 5.628 3.979 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.189 6.993 4.170 1.00 0.00 C ATOM 212 OH TYR A 16 -6.858 7.786 3.267 1.00 0.00 O ATOM 0 H TYR A 16 -4.225 2.226 8.809 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.252 4.970 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.227 5.060 7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.730 3.631 6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.418 7.222 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.426 3.767 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.616 8.636 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.620 5.181 3.123 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.213 8.329 2.768 1.00 0.00 H new ATOM 222 N GLN A 17 -7.349 4.088 7.777 1.00 0.00 N ATOM 223 CA GLN A 17 -8.625 3.537 7.338 1.00 0.00 C ATOM 224 C GLN A 17 -9.157 4.295 6.126 1.00 0.00 C ATOM 225 O GLN A 17 -9.475 5.480 6.213 1.00 0.00 O ATOM 226 CB GLN A 17 -9.647 3.592 8.476 1.00 0.00 C ATOM 227 CG GLN A 17 -11.004 3.017 8.103 1.00 0.00 C ATOM 228 CD GLN A 17 -12.066 3.307 9.145 1.00 0.00 C ATOM 229 OE1 GLN A 17 -11.990 4.302 9.866 1.00 0.00 O ATOM 230 NE2 GLN A 17 -13.066 2.437 9.229 1.00 0.00 N ATOM 0 H GLN A 17 -7.404 5.035 8.153 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.464 2.497 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.253 3.046 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.774 4.628 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.318 3.430 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.914 1.939 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.089 1.626 8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.811 2.580 9.911 1.00 0.00 H new ATOM 239 N ALA A 18 -9.249 3.602 4.995 1.00 0.00 N ATOM 240 CA ALA A 18 -9.743 4.209 3.766 1.00 0.00 C ATOM 241 C ALA A 18 -11.027 4.992 4.017 1.00 0.00 C ATOM 242 O ALA A 18 -12.018 4.441 4.496 1.00 0.00 O ATOM 243 CB ALA A 18 -9.973 3.141 2.706 1.00 0.00 C ATOM 0 H ALA A 18 -8.988 2.620 4.905 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.987 4.907 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.342 3.608 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.034 2.628 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.707 2.421 3.068 1.00 0.00 H new ATOM 249 N ARG A 19 -11.002 6.280 3.692 1.00 0.00 N ATOM 250 CA ARG A 19 -12.164 7.140 3.885 1.00 0.00 C ATOM 251 C ARG A 19 -13.164 6.965 2.746 1.00 0.00 C ATOM 252 O ARG A 19 -14.372 6.887 2.973 1.00 0.00 O ATOM 253 CB ARG A 19 -11.731 8.604 3.978 1.00 0.00 C ATOM 254 CG ARG A 19 -11.081 8.964 5.304 1.00 0.00 C ATOM 255 CD ARG A 19 -12.122 9.261 6.372 1.00 0.00 C ATOM 256 NE ARG A 19 -12.507 8.060 7.109 1.00 0.00 N ATOM 257 CZ ARG A 19 -13.193 8.084 8.247 1.00 0.00 C ATOM 258 NH1 ARG A 19 -13.567 9.242 8.775 1.00 0.00 N ATOM 259 NH2 ARG A 19 -13.506 6.949 8.859 1.00 0.00 N ATOM 0 H ARG A 19 -10.190 6.751 3.294 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.648 6.852 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.032 8.819 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.601 9.242 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.444 8.143 5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.437 9.833 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.727 10.002 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.005 9.699 5.906 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.234 7.153 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.328 10.117 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.093 9.258 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.220 6.057 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.033 6.969 9.732 1.00 0.00 H new ATOM 273 N THR A 20 -12.654 6.906 1.520 1.00 0.00 N ATOM 274 CA THR A 20 -13.502 6.742 0.346 1.00 0.00 C ATOM 275 C THR A 20 -13.172 5.451 -0.394 1.00 0.00 C ATOM 276 O THR A 20 -12.195 4.774 -0.076 1.00 0.00 O ATOM 277 CB THR A 20 -13.353 7.929 -0.624 1.00 0.00 C ATOM 278 OG1 THR A 20 -11.976 8.106 -0.975 1.00 0.00 O ATOM 279 CG2 THR A 20 -13.890 9.208 0.000 1.00 0.00 C ATOM 0 H THR A 20 -11.657 6.969 1.314 1.00 0.00 H new ATOM 0 HA THR A 20 -14.531 6.700 0.702 1.00 0.00 H new ATOM 0 HB THR A 20 -13.931 7.710 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.890 8.862 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.774 10.033 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.946 9.081 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.335 9.429 0.912 1.00 0.00 H new ATOM 287 N ALA A 21 -13.994 5.116 -1.384 1.00 0.00 N ATOM 288 CA ALA A 21 -13.787 3.907 -2.172 1.00 0.00 C ATOM 289 C ALA A 21 -12.463 3.962 -2.925 1.00 0.00 C ATOM 290 O ALA A 21 -11.891 2.928 -3.268 1.00 0.00 O ATOM 291 CB ALA A 21 -14.941 3.707 -3.143 1.00 0.00 C ATOM 0 H ALA A 21 -14.809 5.665 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.750 3.059 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.774 2.801 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.873 3.614 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.004 4.563 -3.815 1.00 0.00 H new ATOM 297 N GLU A 22 -11.981 5.175 -3.178 1.00 0.00 N ATOM 298 CA GLU A 22 -10.723 5.362 -3.892 1.00 0.00 C ATOM 299 C GLU A 22 -9.551 5.439 -2.919 1.00 0.00 C ATOM 300 O GLU A 22 -8.812 6.423 -2.896 1.00 0.00 O ATOM 301 CB GLU A 22 -10.779 6.634 -4.742 1.00 0.00 C ATOM 302 CG GLU A 22 -11.421 6.429 -6.103 1.00 0.00 C ATOM 303 CD GLU A 22 -10.725 5.359 -6.922 1.00 0.00 C ATOM 304 OE1 GLU A 22 -9.594 5.609 -7.387 1.00 0.00 O ATOM 305 OE2 GLU A 22 -11.312 4.270 -7.096 1.00 0.00 O ATOM 0 H GLU A 22 -12.442 6.041 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.574 4.502 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.334 7.399 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.766 7.013 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.468 6.155 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.405 7.370 -6.653 1.00 0.00 H new ATOM 312 N ASP A 23 -9.388 4.393 -2.115 1.00 0.00 N ATOM 313 CA ASP A 23 -8.306 4.340 -1.139 1.00 0.00 C ATOM 314 C ASP A 23 -8.183 2.944 -0.539 1.00 0.00 C ATOM 315 O ASP A 23 -9.150 2.180 -0.513 1.00 0.00 O ATOM 316 CB ASP A 23 -8.540 5.367 -0.030 1.00 0.00 C ATOM 317 CG ASP A 23 -8.101 6.762 -0.431 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.880 6.981 -0.577 1.00 0.00 O ATOM 319 OD2 ASP A 23 -8.978 7.636 -0.598 1.00 0.00 O ATOM 0 H ASP A 23 -9.992 3.571 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.375 4.578 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.599 5.383 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.997 5.062 0.865 1.00 0.00 H new ATOM 324 N LEU A 24 -6.990 2.615 -0.057 1.00 0.00 N ATOM 325 CA LEU A 24 -6.740 1.309 0.543 1.00 0.00 C ATOM 326 C LEU A 24 -6.688 1.409 2.064 1.00 0.00 C ATOM 327 O LEU A 24 -6.256 2.422 2.615 1.00 0.00 O ATOM 328 CB LEU A 24 -5.429 0.724 0.013 1.00 0.00 C ATOM 329 CG LEU A 24 -5.242 -0.782 0.201 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.223 -1.554 -0.667 1.00 0.00 C ATOM 331 CD2 LEU A 24 -3.810 -1.185 -0.121 1.00 0.00 C ATOM 0 H LEU A 24 -6.180 3.235 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.562 0.648 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.358 0.949 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.601 1.237 0.503 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.442 -1.027 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.075 -2.624 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.243 -1.287 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.055 -1.305 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.695 -2.260 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.583 -0.926 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.125 -0.658 0.543 1.00 0.00 H new ATOM 343 N SER A 25 -7.128 0.351 2.737 1.00 0.00 N ATOM 344 CA SER A 25 -7.132 0.321 4.195 1.00 0.00 C ATOM 345 C SER A 25 -6.058 -0.626 4.722 1.00 0.00 C ATOM 346 O SER A 25 -6.048 -1.814 4.399 1.00 0.00 O ATOM 347 CB SER A 25 -8.506 -0.109 4.713 1.00 0.00 C ATOM 348 OG SER A 25 -8.770 -1.465 4.395 1.00 0.00 O ATOM 0 H SER A 25 -7.486 -0.496 2.296 1.00 0.00 H new ATOM 0 HA SER A 25 -6.914 1.326 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.551 0.030 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.277 0.527 4.278 1.00 0.00 H new ATOM 0 HG SER A 25 -7.931 -1.972 4.402 1.00 0.00 H new ATOM 354 N PHE A 26 -5.155 -0.091 5.537 1.00 0.00 N ATOM 355 CA PHE A 26 -4.075 -0.887 6.110 1.00 0.00 C ATOM 356 C PHE A 26 -3.850 -0.524 7.574 1.00 0.00 C ATOM 357 O PHE A 26 -4.415 0.447 8.079 1.00 0.00 O ATOM 358 CB PHE A 26 -2.784 -0.678 5.316 1.00 0.00 C ATOM 359 CG PHE A 26 -2.363 0.761 5.223 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.839 1.571 4.205 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.491 1.303 6.153 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.455 2.896 4.116 1.00 0.00 C ATOM 363 CE2 PHE A 26 -1.103 2.627 6.070 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.584 3.424 5.050 1.00 0.00 C ATOM 0 H PHE A 26 -5.149 0.890 5.816 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.362 -1.937 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.984 -1.253 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.918 -1.075 4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.519 1.162 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.110 0.684 6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.835 3.517 3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.424 3.038 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.280 4.458 4.982 1.00 0.00 H new ATOM 374 N ARG A 27 -3.020 -1.310 8.251 1.00 0.00 N ATOM 375 CA ARG A 27 -2.720 -1.074 9.659 1.00 0.00 C ATOM 376 C ARG A 27 -1.214 -0.999 9.889 1.00 0.00 C ATOM 377 O ARG A 27 -0.424 -1.313 8.999 1.00 0.00 O ATOM 378 CB ARG A 27 -3.324 -2.181 10.524 1.00 0.00 C ATOM 379 CG ARG A 27 -4.832 -2.076 10.682 1.00 0.00 C ATOM 380 CD ARG A 27 -5.296 -2.667 12.004 1.00 0.00 C ATOM 381 NE ARG A 27 -5.269 -4.127 11.990 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.113 -4.871 11.283 1.00 0.00 C ATOM 383 NH1 ARG A 27 -7.044 -4.295 10.536 1.00 0.00 N ATOM 384 NH2 ARG A 27 -6.025 -6.195 11.322 1.00 0.00 N ATOM 0 H ARG A 27 -2.543 -2.116 7.848 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.162 -0.119 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.080 -3.148 10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.861 -2.153 11.510 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.133 -1.030 10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.322 -2.595 9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.659 -2.300 12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.309 -2.325 12.218 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.564 -4.602 12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.114 -3.278 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.690 -4.869 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.309 -6.642 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.673 -6.765 10.779 1.00 0.00 H new ATOM 398 N ALA A 28 -0.823 -0.579 11.088 1.00 0.00 N ATOM 399 CA ALA A 28 0.588 -0.464 11.435 1.00 0.00 C ATOM 400 C ALA A 28 1.288 -1.815 11.339 1.00 0.00 C ATOM 401 O ALA A 28 1.016 -2.723 12.122 1.00 0.00 O ATOM 402 CB ALA A 28 0.741 0.115 12.834 1.00 0.00 C ATOM 0 H ALA A 28 -1.464 -0.313 11.835 1.00 0.00 H new ATOM 0 HA ALA A 28 1.060 0.211 10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.800 0.196 13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.284 1.104 12.871 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.249 -0.539 13.554 1.00 0.00 H new ATOM 408 N GLY A 29 2.193 -1.940 10.372 1.00 0.00 N ATOM 409 CA GLY A 29 2.918 -3.184 10.191 1.00 0.00 C ATOM 410 C GLY A 29 2.301 -4.064 9.122 1.00 0.00 C ATOM 411 O GLY A 29 2.225 -5.283 9.280 1.00 0.00 O ATOM 0 H GLY A 29 2.437 -1.202 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.951 -2.963 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.942 -3.728 11.135 1.00 0.00 H new ATOM 415 N ASP A 30 1.859 -3.447 8.032 1.00 0.00 N ATOM 416 CA ASP A 30 1.245 -4.182 6.933 1.00 0.00 C ATOM 417 C ASP A 30 2.094 -4.081 5.670 1.00 0.00 C ATOM 418 O ASP A 30 2.211 -3.011 5.071 1.00 0.00 O ATOM 419 CB ASP A 30 -0.164 -3.652 6.660 1.00 0.00 C ATOM 420 CG ASP A 30 -1.178 -4.157 7.667 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.933 -4.006 8.882 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.217 -4.703 7.240 1.00 0.00 O ATOM 0 H ASP A 30 1.915 -2.439 7.886 1.00 0.00 H new ATOM 0 HA ASP A 30 1.180 -5.231 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.149 -2.562 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.473 -3.949 5.658 1.00 0.00 H new ATOM 427 N LYS A 31 2.687 -5.200 5.270 1.00 0.00 N ATOM 428 CA LYS A 31 3.526 -5.239 4.078 1.00 0.00 C ATOM 429 C LYS A 31 2.747 -4.782 2.849 1.00 0.00 C ATOM 430 O LYS A 31 1.923 -5.524 2.312 1.00 0.00 O ATOM 431 CB LYS A 31 4.067 -6.653 3.855 1.00 0.00 C ATOM 432 CG LYS A 31 4.807 -7.217 5.056 1.00 0.00 C ATOM 433 CD LYS A 31 6.234 -6.699 5.125 1.00 0.00 C ATOM 434 CE LYS A 31 6.843 -6.925 6.500 1.00 0.00 C ATOM 435 NZ LYS A 31 6.592 -5.776 7.414 1.00 0.00 N ATOM 0 H LYS A 31 2.602 -6.094 5.754 1.00 0.00 H new ATOM 0 HA LYS A 31 4.362 -4.557 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.238 -7.315 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.738 -6.645 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.277 -6.949 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.816 -8.306 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.841 -7.200 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.248 -5.635 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.428 -7.833 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.917 -7.082 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.023 -5.969 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.010 -4.914 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.567 -5.642 7.530 1.00 0.00 H new ATOM 449 N LEU A 32 3.012 -3.558 2.408 1.00 0.00 N ATOM 450 CA LEU A 32 2.337 -3.002 1.240 1.00 0.00 C ATOM 451 C LEU A 32 3.341 -2.638 0.152 1.00 0.00 C ATOM 452 O LEU A 32 4.327 -1.948 0.410 1.00 0.00 O ATOM 453 CB LEU A 32 1.526 -1.767 1.635 1.00 0.00 C ATOM 454 CG LEU A 32 0.411 -1.994 2.657 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.162 -0.731 3.466 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.866 -2.445 1.962 1.00 0.00 C ATOM 0 H LEU A 32 3.690 -2.931 2.841 1.00 0.00 H new ATOM 0 HA LEU A 32 1.662 -3.762 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.211 -1.020 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.084 -1.344 0.733 1.00 0.00 H new ATOM 0 HG LEU A 32 0.727 -2.782 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.635 -0.912 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.074 -0.452 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.132 0.078 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.648 -2.602 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.185 -1.680 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.680 -3.377 1.428 1.00 0.00 H new ATOM 468 N GLN A 33 3.083 -3.104 -1.066 1.00 0.00 N ATOM 469 CA GLN A 33 3.964 -2.826 -2.193 1.00 0.00 C ATOM 470 C GLN A 33 3.445 -1.649 -3.013 1.00 0.00 C ATOM 471 O GLN A 33 2.325 -1.681 -3.523 1.00 0.00 O ATOM 472 CB GLN A 33 4.096 -4.063 -3.083 1.00 0.00 C ATOM 473 CG GLN A 33 4.962 -3.840 -4.311 1.00 0.00 C ATOM 474 CD GLN A 33 4.930 -5.015 -5.269 1.00 0.00 C ATOM 475 OE1 GLN A 33 5.122 -6.163 -4.868 1.00 0.00 O ATOM 476 NE2 GLN A 33 4.687 -4.733 -6.544 1.00 0.00 N ATOM 0 H GLN A 33 2.271 -3.676 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 33 4.946 -2.565 -1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.516 -4.879 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.103 -4.378 -3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.625 -2.943 -4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.990 -3.659 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.534 -3.767 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.654 -5.483 -7.235 1.00 0.00 H new ATOM 485 N VAL A 34 4.265 -0.611 -3.134 1.00 0.00 N ATOM 486 CA VAL A 34 3.889 0.576 -3.892 1.00 0.00 C ATOM 487 C VAL A 34 4.014 0.333 -5.392 1.00 0.00 C ATOM 488 O VAL A 34 5.063 -0.092 -5.878 1.00 0.00 O ATOM 489 CB VAL A 34 4.758 1.788 -3.506 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.427 2.985 -4.384 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.573 2.128 -2.035 1.00 0.00 C ATOM 0 H VAL A 34 5.195 -0.568 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 34 2.849 0.791 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 34 5.804 1.529 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.051 3.831 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.615 2.734 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.377 3.249 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.194 2.986 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.527 2.368 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.866 1.274 -1.425 1.00 0.00 H new ATOM 501 N LEU A 35 2.938 0.606 -6.122 1.00 0.00 N ATOM 502 CA LEU A 35 2.926 0.418 -7.569 1.00 0.00 C ATOM 503 C LEU A 35 3.158 1.741 -8.292 1.00 0.00 C ATOM 504 O LEU A 35 4.083 1.867 -9.095 1.00 0.00 O ATOM 505 CB LEU A 35 1.596 -0.193 -8.012 1.00 0.00 C ATOM 506 CG LEU A 35 1.108 -1.396 -7.205 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.399 -1.552 -7.338 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.819 -2.664 -7.654 1.00 0.00 C ATOM 0 H LEU A 35 2.062 0.958 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 35 3.736 -0.263 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.831 0.582 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.687 -0.494 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 35 1.344 -1.224 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.728 -2.413 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.892 -0.654 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.658 -1.701 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.459 -3.510 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.615 -2.841 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.893 -2.551 -7.506 1.00 0.00 H new ATOM 520 N ASP A 36 2.314 2.724 -8.000 1.00 0.00 N ATOM 521 CA ASP A 36 2.428 4.039 -8.620 1.00 0.00 C ATOM 522 C ASP A 36 2.996 5.056 -7.636 1.00 0.00 C ATOM 523 O ASP A 36 2.556 5.140 -6.488 1.00 0.00 O ATOM 524 CB ASP A 36 1.063 4.508 -9.127 1.00 0.00 C ATOM 525 CG ASP A 36 1.175 5.417 -10.335 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.149 6.196 -10.403 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.289 5.349 -11.213 1.00 0.00 O ATOM 0 H ASP A 36 1.543 2.635 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 36 3.112 3.957 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.456 3.640 -9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.543 5.034 -8.327 1.00 0.00 H new ATOM 532 N THR A 37 3.977 5.829 -8.091 1.00 0.00 N ATOM 533 CA THR A 37 4.608 6.839 -7.251 1.00 0.00 C ATOM 534 C THR A 37 4.613 8.200 -7.937 1.00 0.00 C ATOM 535 O THR A 37 5.563 8.972 -7.800 1.00 0.00 O ATOM 536 CB THR A 37 6.055 6.451 -6.895 1.00 0.00 C ATOM 537 OG1 THR A 37 6.788 6.148 -8.087 1.00 0.00 O ATOM 538 CG2 THR A 37 6.079 5.250 -5.960 1.00 0.00 C ATOM 0 H THR A 37 4.352 5.775 -9.038 1.00 0.00 H new ATOM 0 HA THR A 37 4.020 6.899 -6.335 1.00 0.00 H new ATOM 0 HB THR A 37 6.520 7.296 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.708 5.904 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.112 4.994 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.545 5.493 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.598 4.401 -6.446 1.00 0.00 H new ATOM 546 N SER A 38 3.547 8.489 -8.676 1.00 0.00 N ATOM 547 CA SER A 38 3.431 9.757 -9.387 1.00 0.00 C ATOM 548 C SER A 38 3.188 10.906 -8.413 1.00 0.00 C ATOM 549 O SER A 38 3.949 11.873 -8.372 1.00 0.00 O ATOM 550 CB SER A 38 2.294 9.691 -10.409 1.00 0.00 C ATOM 551 OG SER A 38 2.749 9.164 -11.644 1.00 0.00 O ATOM 0 H SER A 38 2.751 7.863 -8.798 1.00 0.00 H new ATOM 0 HA SER A 38 4.370 9.939 -9.910 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.487 9.070 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.882 10.688 -10.565 1.00 0.00 H new ATOM 0 HG SER A 38 2.004 9.130 -12.280 1.00 0.00 H new ATOM 557 N HIS A 39 2.120 10.793 -7.630 1.00 0.00 N ATOM 558 CA HIS A 39 1.775 11.821 -6.654 1.00 0.00 C ATOM 559 C HIS A 39 2.810 11.877 -5.535 1.00 0.00 C ATOM 560 O HIS A 39 3.262 10.844 -5.044 1.00 0.00 O ATOM 561 CB HIS A 39 0.387 11.555 -6.070 1.00 0.00 C ATOM 562 CG HIS A 39 -0.723 12.193 -6.846 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.889 12.640 -6.263 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.839 12.460 -8.168 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.676 13.152 -7.192 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.061 13.056 -8.357 1.00 0.00 N ATOM 0 H HIS A 39 1.479 10.000 -7.652 1.00 0.00 H new ATOM 0 HA HIS A 39 1.767 12.784 -7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.219 10.479 -6.030 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.358 11.920 -5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.107 12.244 -8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.655 13.577 -7.027 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.434 13.373 -9.252 1.00 0.00 H new ATOM 575 N GLU A 40 3.180 13.091 -5.137 1.00 0.00 N ATOM 576 CA GLU A 40 4.163 13.280 -4.077 1.00 0.00 C ATOM 577 C GLU A 40 3.505 13.187 -2.703 1.00 0.00 C ATOM 578 O GLU A 40 3.830 13.950 -1.795 1.00 0.00 O ATOM 579 CB GLU A 40 4.858 14.634 -4.232 1.00 0.00 C ATOM 580 CG GLU A 40 6.222 14.697 -3.564 1.00 0.00 C ATOM 581 CD GLU A 40 7.169 15.654 -4.262 1.00 0.00 C ATOM 582 OE1 GLU A 40 7.694 15.291 -5.335 1.00 0.00 O ATOM 583 OE2 GLU A 40 7.385 16.765 -3.735 1.00 0.00 O ATOM 0 H GLU A 40 2.814 13.957 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 40 4.906 12.487 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.972 14.855 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.220 15.411 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.100 15.005 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.663 13.700 -3.551 1.00 0.00 H new ATOM 590 N GLY A 41 2.577 12.246 -2.560 1.00 0.00 N ATOM 591 CA GLY A 41 1.888 12.070 -1.295 1.00 0.00 C ATOM 592 C GLY A 41 1.019 10.828 -1.275 1.00 0.00 C ATOM 593 O GLY A 41 1.000 10.092 -0.289 1.00 0.00 O ATOM 0 H GLY A 41 2.290 11.602 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.621 12.009 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.270 12.945 -1.097 1.00 0.00 H new ATOM 597 N TRP A 42 0.297 10.596 -2.366 1.00 0.00 N ATOM 598 CA TRP A 42 -0.579 9.435 -2.469 1.00 0.00 C ATOM 599 C TRP A 42 -0.047 8.441 -3.495 1.00 0.00 C ATOM 600 O TRP A 42 0.061 8.756 -4.680 1.00 0.00 O ATOM 601 CB TRP A 42 -1.995 9.871 -2.850 1.00 0.00 C ATOM 602 CG TRP A 42 -2.632 10.772 -1.836 1.00 0.00 C ATOM 603 CD1 TRP A 42 -2.625 12.138 -1.833 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.369 10.370 -0.676 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.312 12.609 -0.740 1.00 0.00 N ATOM 606 CE2 TRP A 42 -3.779 11.545 -0.015 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.723 9.133 -0.131 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.524 11.516 1.161 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.462 9.106 1.036 1.00 0.00 C ATOM 610 CH2 TRP A 42 -4.857 10.291 1.671 1.00 0.00 C ATOM 0 H TRP A 42 0.301 11.196 -3.191 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.607 8.945 -1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.963 10.383 -3.812 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.617 8.986 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.150 12.757 -2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.452 13.592 -0.506 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.424 8.214 -0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.828 12.428 1.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.740 8.155 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.436 10.236 2.581 1.00 0.00 H new ATOM 621 N TRP A 43 0.284 7.241 -3.032 1.00 0.00 N ATOM 622 CA TRP A 43 0.805 6.200 -3.911 1.00 0.00 C ATOM 623 C TRP A 43 -0.184 5.046 -4.036 1.00 0.00 C ATOM 624 O TRP A 43 -0.947 4.767 -3.110 1.00 0.00 O ATOM 625 CB TRP A 43 2.145 5.684 -3.386 1.00 0.00 C ATOM 626 CG TRP A 43 3.209 6.738 -3.335 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.280 7.869 -4.098 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.355 6.759 -2.476 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.401 8.591 -3.766 1.00 0.00 N ATOM 630 CE2 TRP A 43 5.076 7.932 -2.773 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.840 5.903 -1.484 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.256 8.266 -2.113 1.00 0.00 C ATOM 633 CZ3 TRP A 43 6.011 6.236 -0.831 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.708 7.410 -1.147 1.00 0.00 C ATOM 0 H TRP A 43 0.201 6.965 -2.054 1.00 0.00 H new ATOM 0 HA TRP A 43 0.953 6.635 -4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.002 5.274 -2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.485 4.865 -4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.561 8.154 -4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.684 9.474 -4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.309 4.997 -1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.795 9.170 -2.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.396 5.580 -0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.620 7.643 -0.617 1.00 0.00 H new ATOM 645 N LEU A 44 -0.167 4.380 -5.185 1.00 0.00 N ATOM 646 CA LEU A 44 -1.064 3.255 -5.430 1.00 0.00 C ATOM 647 C LEU A 44 -0.381 1.932 -5.099 1.00 0.00 C ATOM 648 O LEU A 44 0.399 1.409 -5.895 1.00 0.00 O ATOM 649 CB LEU A 44 -1.525 3.254 -6.888 1.00 0.00 C ATOM 650 CG LEU A 44 -2.315 2.025 -7.341 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.665 1.972 -6.644 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.493 2.033 -8.853 1.00 0.00 C ATOM 0 H LEU A 44 0.457 4.599 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.933 3.366 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.140 4.138 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.647 3.352 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.752 1.133 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.213 1.091 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.516 1.919 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.236 2.868 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.057 1.151 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.034 2.931 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.515 2.022 -9.335 1.00 0.00 H new ATOM 664 N ALA A 45 -0.681 1.395 -3.921 1.00 0.00 N ATOM 665 CA ALA A 45 -0.099 0.131 -3.487 1.00 0.00 C ATOM 666 C ALA A 45 -1.166 -0.952 -3.367 1.00 0.00 C ATOM 667 O ALA A 45 -2.361 -0.672 -3.462 1.00 0.00 O ATOM 668 CB ALA A 45 0.625 0.311 -2.161 1.00 0.00 C ATOM 0 H ALA A 45 -1.324 1.816 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 45 0.621 -0.187 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.055 -0.641 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.420 1.047 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.081 0.656 -1.405 1.00 0.00 H new ATOM 674 N ARG A 46 -0.727 -2.188 -3.157 1.00 0.00 N ATOM 675 CA ARG A 46 -1.645 -3.313 -3.026 1.00 0.00 C ATOM 676 C ARG A 46 -1.313 -4.144 -1.790 1.00 0.00 C ATOM 677 O ARG A 46 -0.205 -4.069 -1.257 1.00 0.00 O ATOM 678 CB ARG A 46 -1.588 -4.194 -4.276 1.00 0.00 C ATOM 679 CG ARG A 46 -0.289 -4.972 -4.414 1.00 0.00 C ATOM 680 CD ARG A 46 -0.003 -5.324 -5.865 1.00 0.00 C ATOM 681 NE ARG A 46 1.125 -6.244 -5.992 1.00 0.00 N ATOM 682 CZ ARG A 46 1.360 -6.972 -7.078 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.550 -6.889 -8.124 1.00 0.00 N ATOM 684 NH2 ARG A 46 2.407 -7.786 -7.118 1.00 0.00 N ATOM 0 H ARG A 46 0.259 -2.436 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.654 -2.915 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.422 -4.896 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.722 -3.568 -5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.535 -4.382 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.345 -5.885 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.890 -5.774 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.207 -4.413 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 46 1.767 -6.332 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.256 -6.265 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.733 -7.449 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.032 -7.853 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.587 -8.345 -7.952 1.00 0.00 H new ATOM 698 N HIS A 47 -2.281 -4.935 -1.338 1.00 0.00 N ATOM 699 CA HIS A 47 -2.093 -5.780 -0.164 1.00 0.00 C ATOM 700 C HIS A 47 -1.228 -6.991 -0.499 1.00 0.00 C ATOM 701 O HIS A 47 -1.490 -7.705 -1.469 1.00 0.00 O ATOM 702 CB HIS A 47 -3.444 -6.239 0.383 1.00 0.00 C ATOM 703 CG HIS A 47 -4.025 -5.310 1.404 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.475 -5.127 2.654 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.115 -4.508 1.352 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.201 -4.254 3.329 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.202 -3.862 2.561 1.00 0.00 N ATOM 0 H HIS A 47 -3.204 -5.008 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.583 -5.191 0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.146 -6.341 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.330 -7.228 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.790 -4.397 0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.009 -3.918 4.337 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.922 -3.189 2.823 1.00 0.00 H new ATOM 716 N LEU A 48 -0.196 -7.217 0.306 1.00 0.00 N ATOM 717 CA LEU A 48 0.708 -8.342 0.094 1.00 0.00 C ATOM 718 C LEU A 48 0.339 -9.515 0.997 1.00 0.00 C ATOM 719 O LEU A 48 0.345 -10.667 0.566 1.00 0.00 O ATOM 720 CB LEU A 48 2.154 -7.916 0.358 1.00 0.00 C ATOM 721 CG LEU A 48 2.669 -6.739 -0.472 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.986 -6.227 0.088 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.829 -7.145 -1.930 1.00 0.00 C ATOM 0 H LEU A 48 0.036 -6.636 1.112 1.00 0.00 H new ATOM 0 HA LEU A 48 0.613 -8.662 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.249 -7.660 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.803 -8.773 0.178 1.00 0.00 H new ATOM 0 HG LEU A 48 1.937 -5.933 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.337 -5.390 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.840 -5.897 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.727 -7.026 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.196 -6.296 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.541 -7.968 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.865 -7.463 -2.327 1.00 0.00 H new ATOM 735 N GLU A 49 0.017 -9.212 2.251 1.00 0.00 N ATOM 736 CA GLU A 49 -0.356 -10.242 3.213 1.00 0.00 C ATOM 737 C GLU A 49 -1.345 -11.228 2.598 1.00 0.00 C ATOM 738 O GLU A 49 -2.078 -10.892 1.668 1.00 0.00 O ATOM 739 CB GLU A 49 -0.965 -9.606 4.464 1.00 0.00 C ATOM 740 CG GLU A 49 0.064 -8.987 5.395 1.00 0.00 C ATOM 741 CD GLU A 49 -0.450 -8.831 6.813 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.488 -9.843 7.544 1.00 0.00 O ATOM 743 OE2 GLU A 49 -0.815 -7.698 7.191 1.00 0.00 O ATOM 0 H GLU A 49 0.007 -8.263 2.624 1.00 0.00 H new ATOM 0 HA GLU A 49 0.546 -10.786 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.677 -8.838 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.527 -10.364 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.960 -9.608 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.356 -8.010 5.009 1.00 0.00 H new ATOM 750 N LYS A 50 -1.359 -12.448 3.124 1.00 0.00 N ATOM 751 CA LYS A 50 -2.257 -13.485 2.630 1.00 0.00 C ATOM 752 C LYS A 50 -3.450 -13.663 3.564 1.00 0.00 C ATOM 753 O LYS A 50 -3.286 -13.977 4.743 1.00 0.00 O ATOM 754 CB LYS A 50 -1.507 -14.811 2.484 1.00 0.00 C ATOM 755 CG LYS A 50 -2.332 -15.908 1.834 1.00 0.00 C ATOM 756 CD LYS A 50 -2.274 -15.824 0.318 1.00 0.00 C ATOM 757 CE LYS A 50 -2.900 -17.049 -0.332 1.00 0.00 C ATOM 758 NZ LYS A 50 -4.376 -16.910 -0.473 1.00 0.00 N ATOM 0 H LYS A 50 -0.758 -12.743 3.893 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.627 -13.175 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.607 -14.646 1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.184 -15.146 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.966 -16.882 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.368 -15.830 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.794 -14.927 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.237 -15.730 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.455 -17.206 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.674 -17.932 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.764 -17.765 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.804 -16.786 0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.592 -16.082 -1.064 1.00 0.00 H new ATOM 772 N LYS A 51 -4.649 -13.462 3.029 1.00 0.00 N ATOM 773 CA LYS A 51 -5.870 -13.603 3.813 1.00 0.00 C ATOM 774 C LYS A 51 -6.890 -14.470 3.082 1.00 0.00 C ATOM 775 O LYS A 51 -7.478 -14.049 2.087 1.00 0.00 O ATOM 776 CB LYS A 51 -6.473 -12.228 4.108 1.00 0.00 C ATOM 777 CG LYS A 51 -7.440 -12.226 5.279 1.00 0.00 C ATOM 778 CD LYS A 51 -7.766 -10.812 5.731 1.00 0.00 C ATOM 779 CE LYS A 51 -6.706 -10.271 6.678 1.00 0.00 C ATOM 780 NZ LYS A 51 -6.689 -11.008 7.971 1.00 0.00 N ATOM 0 H LYS A 51 -4.801 -13.201 2.055 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.613 -14.090 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.667 -11.523 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.992 -11.870 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.359 -12.739 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.008 -12.784 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.845 -10.160 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.737 -10.802 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.726 -10.344 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.892 -9.213 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.251 -10.414 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.663 -11.241 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.141 -11.885 7.863 1.00 0.00 H new ATOM 794 N GLY A 52 -7.095 -15.685 3.583 1.00 0.00 N ATOM 795 CA GLY A 52 -8.045 -16.592 2.965 1.00 0.00 C ATOM 796 C GLY A 52 -9.437 -16.461 3.551 1.00 0.00 C ATOM 797 O GLY A 52 -9.970 -17.412 4.123 1.00 0.00 O ATOM 0 H GLY A 52 -6.620 -16.057 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.085 -16.396 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.697 -17.618 3.089 1.00 0.00 H new ATOM 801 N THR A 53 -10.028 -15.278 3.410 1.00 0.00 N ATOM 802 CA THR A 53 -11.365 -15.025 3.932 1.00 0.00 C ATOM 803 C THR A 53 -12.290 -14.499 2.841 1.00 0.00 C ATOM 804 O THR A 53 -11.892 -13.674 2.020 1.00 0.00 O ATOM 805 CB THR A 53 -11.332 -14.013 5.093 1.00 0.00 C ATOM 806 OG1 THR A 53 -10.369 -14.421 6.072 1.00 0.00 O ATOM 807 CG2 THR A 53 -12.702 -13.891 5.743 1.00 0.00 C ATOM 0 H THR A 53 -9.601 -14.480 2.939 1.00 0.00 H new ATOM 0 HA THR A 53 -11.746 -15.977 4.300 1.00 0.00 H new ATOM 0 HB THR A 53 -11.050 -13.040 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.353 -13.771 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.654 -13.171 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.427 -13.552 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.008 -14.862 6.133 1.00 0.00 H new ATOM 815 N GLY A 54 -13.529 -14.982 2.839 1.00 0.00 N ATOM 816 CA GLY A 54 -14.493 -14.549 1.844 1.00 0.00 C ATOM 817 C GLY A 54 -15.074 -13.184 2.156 1.00 0.00 C ATOM 818 O GLY A 54 -16.290 -12.993 2.107 1.00 0.00 O ATOM 0 H GLY A 54 -13.882 -15.665 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.013 -14.521 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.300 -15.279 1.783 1.00 0.00 H new ATOM 822 N LEU A 55 -14.205 -12.233 2.480 1.00 0.00 N ATOM 823 CA LEU A 55 -14.639 -10.878 2.803 1.00 0.00 C ATOM 824 C LEU A 55 -13.607 -9.852 2.346 1.00 0.00 C ATOM 825 O LEU A 55 -12.480 -9.828 2.840 1.00 0.00 O ATOM 826 CB LEU A 55 -14.878 -10.743 4.308 1.00 0.00 C ATOM 827 CG LEU A 55 -15.574 -9.461 4.765 1.00 0.00 C ATOM 828 CD1 LEU A 55 -17.083 -9.593 4.622 1.00 0.00 C ATOM 829 CD2 LEU A 55 -15.200 -9.134 6.203 1.00 0.00 C ATOM 0 H LEU A 55 -13.196 -12.375 2.526 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.573 -10.686 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.474 -11.594 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.916 -10.811 4.816 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.239 -8.642 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.562 -8.671 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.335 -9.779 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.435 -10.424 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.705 -8.218 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.506 -9.953 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.121 -8.996 6.276 1.00 0.00 H new ATOM 841 N GLY A 56 -14.001 -9.003 1.401 1.00 0.00 N ATOM 842 CA GLY A 56 -13.099 -7.985 0.895 1.00 0.00 C ATOM 843 C GLY A 56 -13.699 -7.197 -0.252 1.00 0.00 C ATOM 844 O GLY A 56 -14.407 -7.753 -1.091 1.00 0.00 O ATOM 0 H GLY A 56 -14.929 -9.002 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.837 -7.302 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.174 -8.456 0.563 1.00 0.00 H new ATOM 848 N GLN A 57 -13.417 -5.899 -0.287 1.00 0.00 N ATOM 849 CA GLN A 57 -13.936 -5.033 -1.339 1.00 0.00 C ATOM 850 C GLN A 57 -12.828 -4.619 -2.300 1.00 0.00 C ATOM 851 O GLN A 57 -13.026 -4.590 -3.515 1.00 0.00 O ATOM 852 CB GLN A 57 -14.589 -3.791 -0.729 1.00 0.00 C ATOM 853 CG GLN A 57 -15.635 -4.109 0.327 1.00 0.00 C ATOM 854 CD GLN A 57 -17.009 -4.348 -0.266 1.00 0.00 C ATOM 855 OE1 GLN A 57 -17.766 -3.408 -0.508 1.00 0.00 O ATOM 856 NE2 GLN A 57 -17.340 -5.612 -0.504 1.00 0.00 N ATOM 0 H GLN A 57 -12.832 -5.424 0.401 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.686 -5.592 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.815 -3.165 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.053 -3.207 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.326 -4.993 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.689 -3.285 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.682 -6.361 -0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.252 -5.834 -0.903 1.00 0.00 H new ATOM 865 N GLN A 58 -11.661 -4.299 -1.749 1.00 0.00 N ATOM 866 CA GLN A 58 -10.522 -3.885 -2.559 1.00 0.00 C ATOM 867 C GLN A 58 -9.222 -4.454 -2.000 1.00 0.00 C ATOM 868 O GLN A 58 -9.175 -4.921 -0.861 1.00 0.00 O ATOM 869 CB GLN A 58 -10.440 -2.359 -2.620 1.00 0.00 C ATOM 870 CG GLN A 58 -9.287 -1.845 -3.468 1.00 0.00 C ATOM 871 CD GLN A 58 -9.484 -0.410 -3.913 1.00 0.00 C ATOM 872 OE1 GLN A 58 -8.788 0.514 -3.261 1.00 0.00 O flip ATOM 873 NE2 GLN A 58 -10.254 -0.133 -4.833 1.00 0.00 N flip ATOM 0 H GLN A 58 -11.480 -4.319 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.664 -4.274 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.376 -1.969 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.338 -1.968 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.361 -1.921 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.175 -2.481 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.770 -0.874 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.376 0.838 -5.121 1.00 0.00 H new ATOM 882 N LEU A 59 -8.168 -4.412 -2.808 1.00 0.00 N ATOM 883 CA LEU A 59 -6.866 -4.924 -2.395 1.00 0.00 C ATOM 884 C LEU A 59 -5.780 -3.872 -2.593 1.00 0.00 C ATOM 885 O LEU A 59 -4.790 -3.844 -1.862 1.00 0.00 O ATOM 886 CB LEU A 59 -6.519 -6.188 -3.184 1.00 0.00 C ATOM 887 CG LEU A 59 -6.419 -6.025 -4.701 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.469 -7.059 -5.287 1.00 0.00 C ATOM 889 CD2 LEU A 59 -7.795 -6.139 -5.341 1.00 0.00 C ATOM 0 H LEU A 59 -8.190 -4.029 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.919 -5.169 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.567 -6.572 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.273 -6.945 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.021 -5.033 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.410 -6.928 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.478 -6.931 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.837 -8.060 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.705 -6.021 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.220 -7.117 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.447 -5.361 -4.944 1.00 0.00 H new ATOM 901 N GLN A 60 -5.973 -3.009 -3.584 1.00 0.00 N ATOM 902 CA GLN A 60 -5.010 -1.954 -3.877 1.00 0.00 C ATOM 903 C GLN A 60 -5.713 -0.617 -4.085 1.00 0.00 C ATOM 904 O GLN A 60 -6.764 -0.549 -4.721 1.00 0.00 O ATOM 905 CB GLN A 60 -4.192 -2.312 -5.119 1.00 0.00 C ATOM 906 CG GLN A 60 -5.013 -2.354 -6.397 1.00 0.00 C ATOM 907 CD GLN A 60 -4.230 -2.895 -7.577 1.00 0.00 C ATOM 908 OE1 GLN A 60 -4.327 -4.076 -7.913 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.447 -2.033 -8.214 1.00 0.00 N ATOM 0 H GLN A 60 -6.787 -3.019 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.339 -1.862 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.389 -1.585 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.722 -3.284 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.896 -2.973 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.366 -1.350 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.396 -1.063 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.896 -2.340 -9.015 1.00 0.00 H new ATOM 918 N GLY A 61 -5.126 0.446 -3.542 1.00 0.00 N ATOM 919 CA GLY A 61 -5.710 1.767 -3.679 1.00 0.00 C ATOM 920 C GLY A 61 -4.728 2.873 -3.346 1.00 0.00 C ATOM 921 O GLY A 61 -3.525 2.634 -3.243 1.00 0.00 O ATOM 0 H GLY A 61 -4.256 0.415 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.068 1.898 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.578 1.847 -3.024 1.00 0.00 H new ATOM 925 N TYR A 62 -5.241 4.087 -3.180 1.00 0.00 N ATOM 926 CA TYR A 62 -4.401 5.235 -2.862 1.00 0.00 C ATOM 927 C TYR A 62 -4.091 5.286 -1.369 1.00 0.00 C ATOM 928 O TYR A 62 -4.998 5.290 -0.535 1.00 0.00 O ATOM 929 CB TYR A 62 -5.086 6.531 -3.296 1.00 0.00 C ATOM 930 CG TYR A 62 -5.093 6.740 -4.794 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.942 6.548 -5.548 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.253 7.127 -5.455 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.945 6.738 -6.916 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.265 7.318 -6.823 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.108 7.123 -7.549 1.00 0.00 C ATOM 936 OH TYR A 62 -5.115 7.311 -8.912 1.00 0.00 O ATOM 0 H TYR A 62 -6.235 4.301 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.463 5.128 -3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.114 6.528 -2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.583 7.374 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.029 6.245 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.160 7.281 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.041 6.586 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.175 7.618 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.012 7.579 -9.201 1.00 0.00 H new ATOM 946 N ILE A 63 -2.804 5.324 -1.039 1.00 0.00 N ATOM 947 CA ILE A 63 -2.374 5.377 0.353 1.00 0.00 C ATOM 948 C ILE A 63 -1.300 6.440 0.556 1.00 0.00 C ATOM 949 O ILE A 63 -0.452 6.674 -0.305 1.00 0.00 O ATOM 950 CB ILE A 63 -1.829 4.016 0.825 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.578 3.639 0.030 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.897 2.941 0.685 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.254 2.561 0.688 1.00 0.00 C ATOM 0 H ILE A 63 -2.041 5.319 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.252 5.633 0.946 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.557 4.095 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.876 3.301 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.037 4.528 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.497 1.985 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.763 3.207 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.197 2.860 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.125 2.345 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.583 2.903 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.345 1.657 0.801 1.00 0.00 H new ATOM 965 N PRO A 64 -1.334 7.099 1.724 1.00 0.00 N ATOM 966 CA PRO A 64 -0.369 8.147 2.070 1.00 0.00 C ATOM 967 C PRO A 64 1.029 7.590 2.313 1.00 0.00 C ATOM 968 O PRO A 64 1.190 6.539 2.932 1.00 0.00 O ATOM 969 CB PRO A 64 -0.939 8.743 3.359 1.00 0.00 C ATOM 970 CG PRO A 64 -1.753 7.646 3.956 1.00 0.00 C ATOM 971 CD PRO A 64 -2.317 6.872 2.797 1.00 0.00 C ATOM 0 HA PRO A 64 -0.250 8.873 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.144 9.059 4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.550 9.622 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.140 7.006 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.550 8.047 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.417 5.812 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.307 7.232 2.517 1.00 0.00 H new ATOM 979 N SER A 65 2.039 8.302 1.822 1.00 0.00 N ATOM 980 CA SER A 65 3.424 7.876 1.983 1.00 0.00 C ATOM 981 C SER A 65 3.919 8.163 3.397 1.00 0.00 C ATOM 982 O SER A 65 4.624 7.351 3.996 1.00 0.00 O ATOM 983 CB SER A 65 4.319 8.584 0.964 1.00 0.00 C ATOM 984 OG SER A 65 4.225 9.992 1.094 1.00 0.00 O ATOM 0 H SER A 65 1.924 9.176 1.310 1.00 0.00 H new ATOM 0 HA SER A 65 3.470 6.801 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.354 8.271 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.031 8.289 -0.045 1.00 0.00 H new ATOM 0 HG SER A 65 4.807 10.421 0.433 1.00 0.00 H new ATOM 990 N ASN A 66 3.544 9.323 3.925 1.00 0.00 N ATOM 991 CA ASN A 66 3.949 9.718 5.269 1.00 0.00 C ATOM 992 C ASN A 66 3.530 8.669 6.294 1.00 0.00 C ATOM 993 O ASN A 66 3.993 8.681 7.435 1.00 0.00 O ATOM 994 CB ASN A 66 3.339 11.074 5.631 1.00 0.00 C ATOM 995 CG ASN A 66 4.203 12.236 5.180 1.00 0.00 C ATOM 996 OD1 ASN A 66 5.403 12.081 4.954 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.594 13.409 5.047 1.00 0.00 N ATOM 0 H ASN A 66 2.960 10.006 3.443 1.00 0.00 H new ATOM 0 HA ASN A 66 5.036 9.801 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.353 11.159 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.196 11.129 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.124 14.227 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.597 13.491 5.245 1.00 0.00 H new ATOM 1004 N TYR A 67 2.652 7.763 5.880 1.00 0.00 N ATOM 1005 CA TYR A 67 2.169 6.707 6.762 1.00 0.00 C ATOM 1006 C TYR A 67 3.057 5.470 6.669 1.00 0.00 C ATOM 1007 O TYR A 67 3.237 4.746 7.649 1.00 0.00 O ATOM 1008 CB TYR A 67 0.726 6.340 6.410 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.296 7.313 6.954 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.192 8.675 6.698 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.364 6.871 7.725 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.123 9.568 7.193 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.300 7.756 8.222 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.176 9.103 7.954 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.105 9.989 8.450 1.00 0.00 O ATOM 0 H TYR A 67 2.260 7.738 4.939 1.00 0.00 H new ATOM 0 HA TYR A 67 2.203 7.080 7.786 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.627 6.290 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.509 5.344 6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.631 9.042 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.464 5.817 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.027 10.624 6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.125 7.395 8.818 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.782 9.500 8.963 1.00 0.00 H new ATOM 1025 N VAL A 68 3.611 5.235 5.484 1.00 0.00 N ATOM 1026 CA VAL A 68 4.482 4.087 5.262 1.00 0.00 C ATOM 1027 C VAL A 68 5.931 4.524 5.082 1.00 0.00 C ATOM 1028 O VAL A 68 6.226 5.717 5.003 1.00 0.00 O ATOM 1029 CB VAL A 68 4.043 3.281 4.025 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.545 3.020 4.061 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.435 4.010 2.748 1.00 0.00 C ATOM 0 H VAL A 68 3.472 5.824 4.663 1.00 0.00 H new ATOM 0 HA VAL A 68 4.403 3.454 6.146 1.00 0.00 H new ATOM 0 HB VAL A 68 4.555 2.319 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.254 2.449 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.296 2.453 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.010 3.970 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.117 3.427 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.952 4.987 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.517 4.139 2.720 1.00 0.00 H new ATOM 1041 N ALA A 69 6.834 3.551 5.018 1.00 0.00 N ATOM 1042 CA ALA A 69 8.253 3.835 4.845 1.00 0.00 C ATOM 1043 C ALA A 69 8.966 2.673 4.162 1.00 0.00 C ATOM 1044 O ALA A 69 8.420 1.575 4.055 1.00 0.00 O ATOM 1045 CB ALA A 69 8.899 4.135 6.190 1.00 0.00 C ATOM 0 H ALA A 69 6.608 2.559 5.083 1.00 0.00 H new ATOM 0 HA ALA A 69 8.347 4.712 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.959 4.345 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.415 5.001 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.786 3.273 6.848 1.00 0.00 H new ATOM 1051 N GLU A 70 10.188 2.923 3.701 1.00 0.00 N ATOM 1052 CA GLU A 70 10.974 1.896 3.027 1.00 0.00 C ATOM 1053 C GLU A 70 11.524 0.886 4.029 1.00 0.00 C ATOM 1054 O GLU A 70 12.438 1.191 4.795 1.00 0.00 O ATOM 1055 CB GLU A 70 12.124 2.535 2.245 1.00 0.00 C ATOM 1056 CG GLU A 70 11.714 3.062 0.880 1.00 0.00 C ATOM 1057 CD GLU A 70 12.903 3.443 0.021 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.553 2.532 -0.533 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.184 4.654 -0.098 1.00 0.00 O ATOM 0 H GLU A 70 10.654 3.827 3.782 1.00 0.00 H new ATOM 0 HA GLU A 70 10.319 1.371 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.540 3.354 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.918 1.799 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.126 2.304 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.070 3.932 1.009 1.00 0.00 H new ATOM 1066 N ASP A 71 10.961 -0.317 4.018 1.00 0.00 N ATOM 1067 CA ASP A 71 11.394 -1.373 4.925 1.00 0.00 C ATOM 1068 C ASP A 71 12.448 -2.258 4.265 1.00 0.00 C ATOM 1069 O ASP A 71 12.683 -2.166 3.060 1.00 0.00 O ATOM 1070 CB ASP A 71 10.199 -2.221 5.363 1.00 0.00 C ATOM 1071 CG ASP A 71 10.382 -2.806 6.750 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.056 -2.110 7.734 1.00 0.00 O ATOM 1073 OD2 ASP A 71 10.851 -3.959 6.851 1.00 0.00 O ATOM 0 H ASP A 71 10.203 -0.585 3.390 1.00 0.00 H new ATOM 0 HA ASP A 71 11.838 -0.904 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.297 -1.609 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.049 -3.030 4.648 1.00 0.00 H new ATOM 1078 N SER A 72 13.079 -3.113 5.063 1.00 0.00 N ATOM 1079 CA SER A 72 14.111 -4.011 4.558 1.00 0.00 C ATOM 1080 C SER A 72 13.538 -4.962 3.512 1.00 0.00 C ATOM 1081 O SER A 72 14.020 -5.024 2.382 1.00 0.00 O ATOM 1082 CB SER A 72 14.729 -4.810 5.706 1.00 0.00 C ATOM 1083 OG SER A 72 15.405 -3.957 6.614 1.00 0.00 O ATOM 0 H SER A 72 12.894 -3.203 6.062 1.00 0.00 H new ATOM 0 HA SER A 72 14.886 -3.406 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.949 -5.361 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.426 -5.547 5.307 1.00 0.00 H new ATOM 0 HG SER A 72 15.790 -4.491 7.340 1.00 0.00 H new ATOM 1089 N GLY A 73 12.505 -5.704 3.899 1.00 0.00 N ATOM 1090 CA GLY A 73 11.882 -6.644 2.984 1.00 0.00 C ATOM 1091 C GLY A 73 11.657 -8.004 3.614 1.00 0.00 C ATOM 1092 O GLY A 73 10.525 -8.464 3.762 1.00 0.00 O ATOM 0 H GLY A 73 12.088 -5.671 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.927 -6.240 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.510 -6.756 2.100 1.00 0.00 H new ATOM 1096 N PRO A 74 12.755 -8.672 3.998 1.00 0.00 N ATOM 1097 CA PRO A 74 12.698 -9.998 4.620 1.00 0.00 C ATOM 1098 C PRO A 74 12.116 -9.952 6.029 1.00 0.00 C ATOM 1099 O PRO A 74 12.835 -9.725 7.001 1.00 0.00 O ATOM 1100 CB PRO A 74 14.165 -10.433 4.663 1.00 0.00 C ATOM 1101 CG PRO A 74 14.938 -9.160 4.670 1.00 0.00 C ATOM 1102 CD PRO A 74 14.137 -8.184 3.853 1.00 0.00 C ATOM 0 HA PRO A 74 12.052 -10.680 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.375 -11.029 5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.421 -11.047 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 74 15.078 -8.794 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 74 15.931 -9.304 4.243 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.245 -7.165 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.454 -8.178 2.810 1.00 0.00 H new ATOM 1110 N SER A 75 10.808 -10.169 6.131 1.00 0.00 N ATOM 1111 CA SER A 75 10.128 -10.149 7.421 1.00 0.00 C ATOM 1112 C SER A 75 10.397 -11.436 8.196 1.00 0.00 C ATOM 1113 O SER A 75 9.588 -12.364 8.178 1.00 0.00 O ATOM 1114 CB SER A 75 8.623 -9.963 7.224 1.00 0.00 C ATOM 1115 OG SER A 75 8.007 -9.500 8.414 1.00 0.00 O ATOM 0 H SER A 75 10.198 -10.361 5.336 1.00 0.00 H new ATOM 0 HA SER A 75 10.518 -9.310 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.444 -9.252 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.173 -10.909 6.922 1.00 0.00 H new ATOM 0 HG SER A 75 8.131 -10.162 9.126 1.00 0.00 H new ATOM 1121 N SER A 76 11.538 -11.483 8.876 1.00 0.00 N ATOM 1122 CA SER A 76 11.916 -12.656 9.655 1.00 0.00 C ATOM 1123 C SER A 76 11.214 -12.658 11.009 1.00 0.00 C ATOM 1124 O SER A 76 11.680 -12.037 11.964 1.00 0.00 O ATOM 1125 CB SER A 76 13.432 -12.696 9.853 1.00 0.00 C ATOM 1126 OG SER A 76 13.889 -11.533 10.522 1.00 0.00 O ATOM 0 H SER A 76 12.217 -10.722 8.903 1.00 0.00 H new ATOM 0 HA SER A 76 11.606 -13.543 9.103 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.704 -13.581 10.428 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.926 -12.781 8.885 1.00 0.00 H new ATOM 0 HG SER A 76 13.273 -11.312 11.252 1.00 0.00 H new ATOM 1132 N GLY A 77 10.088 -13.361 11.085 1.00 0.00 N ATOM 1133 CA GLY A 77 9.339 -13.431 12.326 1.00 0.00 C ATOM 1134 C GLY A 77 7.867 -13.124 12.132 1.00 0.00 C ATOM 1135 O GLY A 77 7.203 -12.637 13.047 1.00 0.00 O ATOM 0 H GLY A 77 9.681 -13.883 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.446 -14.427 12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.763 -12.727 13.043 1.00 0.00 H new TER 1139 GLY A 77